immutable_id
stringlengths 4
13
| nsites
int32 1
444
| species_at_sites
listlengths 1
444
| dft_hull
float64 -0
651
| mace_mp_hull
float64 -0
824
⌀ | mace_omat_hull
float64 -0
1.01k
| orb_conserv_inf_hull
float64 -0
64
| orb_direct_20_hull
float64 -0
205
| uma_hull
float64 -0
98.4
| true_energy
float64 -2,846.53
5.19k
| orb_direct_20_energy
float32 -2,845.54
2k
| orb_conserv_inf_energy
float32 -2,845.75
543
| uma_energy
float32 -2,845.65
1.52k
| mace_mp_energy
float32 -2,844.13
13.1k
⌀ | mace_omat_energy
float32 -2,847.84
16k
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
agm2000122154
| 4
|
[
"K",
"K",
"Se",
"Se"
] | 0.101799
| 0.111989
| 0.121027
| 0.099524
| 0.094751
| 0.103637
| -12.565317
| -12.547764
| -12.525916
| -12.50277
| -12.558501
| -12.449292
|
agm2000030062
| 4
|
[
"Tl",
"Tl",
"K",
"K"
] | 0.523388
| 0.661105
| 0.42072
| 0.458692
| 0.496308
| 0.550534
| -5.326279
| -5.057836
| -5.173401
| -4.810886
| -4.934773
| -5.281699
|
agm004404079
| 4
|
[
"La",
"La",
"La",
"Sc"
] | 0.144049
| 0.038653
| 0.121635
| 0.154025
| 0.163195
| 0.149095
| -20.543568
| -20.325636
| -20.298723
| -20.306444
| -20.872154
| -20.393875
|
agm004265750
| 4
|
[
"Mo",
"Mo",
"Sb",
"Se"
] | 0.300431
| 0.175941
| 0.285673
| 0.300258
| 0.294138
| 0.3057
| -29.163295
| -29.349913
| -29.327477
| -29.334644
| -29.577257
| -29.394241
|
agm003866023
| 3
|
[
"La",
"Se",
"Se"
] | 0.288985
| 0.220998
| 0.241524
| 0.283564
| 0.274123
| 0.294579
| -16.331536
| -16.348984
| -16.321127
| -16.302015
| -16.49235
| -16.377983
|
mp-1219855
| 32
|
[
"Pr",
"Pr",
"Pr",
"Pr",
"Th",
"Th",
"Th",
"Th",
"U",
"U",
"U",
"U",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.054908
| 0.047675
| 0.033602
| 0.045837
| 0.054133
| 0.05086
| -234.559618
| -233.951263
| -234.033691
| -233.907669
| -234.36264
| -233.911072
|
agm002783049
| 4
|
[
"Sc",
"Sc",
"Sr",
"Mo"
] | 0.479177
| 0.39719
| 0.485361
| 0.492162
| 0.496824
| 0.497621
| -23.310696
| -23.068041
| -23.09297
| -23.079809
| -23.436541
| -23.129955
|
oqmd-4922260
| 12
|
[
"Pr",
"Pr",
"Sb",
"Sb",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Tl",
"Tl"
] | 0.554454
| 0.147804
| 0.181462
| 0.224128
| 0.217526
| 0.206312
| -47.8507
| -47.464436
| -47.38789
| -47.638954
| -48.692707
| -47.79567
|
agm003813234
| 4
|
[
"Zr",
"W",
"Cl",
"Cl"
] | 0.9427
| 0.925145
| 1.004146
| 0.985841
| 0.988642
| 0.958971
| -26.379758
| -26.210234
| -26.232416
| -26.342361
| -26.164848
| -26.118065
|
agm003823298
| 3
|
[
"Mo",
"Sc",
"Tc"
] | 0.344656
| 0.207602
| 0.334216
| 0.34556
| 0.350039
| 0.347373
| -27.035752
| -26.977253
| -26.978699
| -26.975737
| -27.387615
| -26.986042
|
agm003783237
| 4
|
[
"Li",
"Li",
"P",
"P"
] | 0.159434
| 0.07192
| 0.121984
| 0.156107
| 0.14459
| 0.143708
| -16.100909
| -16.206139
| -16.16898
| -16.177872
| -16.43906
| -16.091938
|
agm002487123
| 5
|
[
"H",
"K",
"K",
"K",
"Te"
] | 0.352015
| 0.453035
| 0.41277
| 0.356359
| 0.345654
| 0.36207
| -11.557899
| -11.433705
| -11.374997
| -11.360416
| -11.132232
| -11.092911
|
agm002493074
| 5
|
[
"H",
"Tc",
"Tc",
"Tc",
"La"
] | 2.999227
| 3.1005
| 3.023304
| 3.029346
| 3.026525
| 3.030221
| -25.398594
| -25.085527
| -25.130802
| -25.146061
| -24.841543
| -25.271887
|
agm005017728
| 5
|
[
"Pu",
"Si",
"Si",
"Ru",
"Pt"
] | 0
| 0.173456
| 0
| 0
| 0
| 0
| -44.654274
| -44.299797
| -44.321411
| -44.31797
| -42.706665
| -44.25351
|
agm001198851
| 4
|
[
"Be",
"Ac",
"Ac",
"Ga"
] | 0.260316
| 0.26169
| 0.247881
| 0.262243
| 0.275663
| 0.268053
| -15.076284
| -14.846088
| -14.857428
| -14.840177
| -15.138873
| -14.906713
|
oqmd-4214820
| 3
|
[
"Ac",
"Dy",
"Fe"
] | 1.096688
| 1.08803
| 1.111666
| 1.048949
| 1.014109
| 1.041646
| -14.0263
| -13.991155
| -13.848505
| -13.876553
| -14.131324
| -13.62064
|
agm001273638
| 3
|
[
"Ac",
"Gd",
"Rh"
] | 0.040119
| 0.08005
| 0.037446
| 0.027853
| 0.037191
| 0.037451
| -27.068708
| -26.859648
| -26.909986
| -26.881351
| -26.916882
| -26.873785
|
oqmd-5732441
| 3
|
[
"Ac",
"Gd",
"Ta"
] | 4.066135
| 1.099516
| 1.019694
| 0.922291
| 0.924584
| 0.908797
| -17.8628
| -27.182911
| -27.165766
| -27.22361
| -26.896416
| -26.912998
|
oqmd-4865493
| 12
|
[
"Pt",
"Pt",
"Rb",
"Rb",
"S",
"S",
"S",
"S",
"S",
"S",
"Zr",
"Zr"
] | 0.11094
| 0.063417
| 0.109688
| 0.096742
| 0.098826
| 0.105603
| -69.251
| -69.571259
| -69.581802
| -69.531914
| -69.905342
| -69.41835
|
agm005401436
| 14
|
[
"H",
"H",
"H",
"H",
"H",
"H",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Li",
"Li"
] | 0.228318
| 0.119854
| 0.193863
| 0.213355
| 0.222793
| 0.219795
| -54.90544
| -54.620029
| -54.706623
| -54.681141
| -56.743191
| -55.039398
|
agm001971784
| 4
|
[
"Gd",
"Gd",
"Co",
"Pm"
] | 0.232392
| 0.168043
| 0.26036
| 0.25367
| 0.264852
| 0.239142
| -39.509538
| -39.389812
| -39.374508
| -39.397114
| -39.785645
| -39.452171
|
oqmd-7482060
| 12
|
[
"Pt",
"Pt",
"Rb",
"Rb",
"Sm",
"Sm",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 0.111053
| 0.061628
| 0.120438
| 0.131976
| 0.140981
| 0.1172
| -53.6925
| -53.18161
| -53.270496
| -53.467899
| -54.211067
| -53.370449
|
agm001240232
| 3
|
[
"Ac",
"Gd",
"Tl"
] | 0.215817
| 0.147999
| 0.245246
| 0.209745
| 0.226956
| 0.230327
| -20.741929
| -20.541727
| -20.588428
| -20.537159
| -20.982254
| -20.476318
|
agm003377203
| 11
|
[
"Hf",
"Hf",
"Hf",
"Ti",
"Ti",
"Ti",
"Ti",
"Co",
"Co",
"Co",
"Co"
] | 0.080295
| 0.089054
| 0.065618
| 0.083643
| 0.098843
| 0.083256
| -92.640734
| -91.829247
| -91.836876
| -91.801064
| -92.577209
| -91.869629
|
agm002491981
| 5
|
[
"H",
"H",
"H",
"Li",
"Ti"
] | 0.4285
| 0.422267
| 0.403261
| 0.427729
| 0.418089
| 0.433151
| -20.105973
| -19.989813
| -20.00938
| -20.009033
| -19.928146
| -20.164124
|
oqmd-6962095
| 3
|
[
"Ac",
"Lu",
"Os"
] | 0.978986
| 0.788179
| 0.998782
| 0.997505
| 0.960773
| 0.963497
| -17.688
| -17.650034
| -17.507515
| -17.613178
| -18.242241
| -17.459551
|
agm003811035
| 4
|
[
"Co",
"Hg",
"P",
"P"
] | 0.563413
| 0.412266
| 0.539618
| 0.575379
| 0.577577
| 0.576962
| -17.584676
| -17.354115
| -17.377821
| -17.341082
| -18.157331
| -17.325657
|
agm002920718
| 5
|
[
"Na",
"Na",
"F",
"Cl",
"Cl"
] | 0.54467
| 0.530564
| 0.538289
| 0.548545
| 0.551505
| 0.5509
| -14.555512
| -14.436867
| -14.459876
| -14.450684
| -14.558321
| -14.494295
|
agm005018107
| 5
|
[
"Sr",
"Zr",
"Sc",
"Pt",
"Pt"
] | 0.045916
| 0.027861
| 0.04341
| 0.036524
| 0.038349
| 0.040176
| -33.177539
| -33.101234
| -33.102844
| -33.099941
| -33.297203
| -33.07058
|
agm003389507
| 10
|
[
"Tb",
"Tb",
"Er",
"Er",
"Er",
"Er",
"In",
"In",
"In",
"In"
] | 0.083605
| 0.080468
| 0.093963
| 0.085927
| 0.087926
| 0.085689
| -41.644022
| -40.591026
| -40.595596
| -40.602051
| -41.680305
| -40.461029
|
agm001845410
| 3
|
[
"Eu",
"Lu",
"Ho"
] | 0.081427
| 0.081786
| 0.070548
| 0.072939
| 0.069435
| 0.070901
| -19.143744
| -19.050388
| -19.05088
| -19.068119
| -19.123096
| -19.035492
|
agm002105752
| 12
|
[
"As",
"As",
"As",
"As",
"Al",
"Al",
"Al",
"Al",
"Ta",
"Ta",
"Ta",
"Ta"
] | 0.114631
| 0.174653
| 0.112626
| 0.115209
| 0.125397
| 0.120464
| -85.162565
| -84.89872
| -84.990227
| -84.91584
| -84.44381
| -84.585716
|
agm001830804
| 3
|
[
"Eu",
"Ru",
"Nd"
] | 0.079708
| 0.011446
| 0.069097
| 0.064806
| 0.053512
| 0.077537
| -24.444495
| -24.370827
| -24.361155
| -24.330853
| -24.651182
| -24.3339
|
agm004428593
| 4
|
[
"Ir",
"Ir",
"Au",
"Al"
] | 0.304004
| 0.234802
| 0.278586
| 0.288385
| 0.282438
| 0.290488
| -25.430707
| -25.460003
| -25.412426
| -25.407946
| -25.662859
| -25.450449
|
agm005017391
| 5
|
[
"Sm",
"Ti",
"Zn",
"Pt",
"Pt"
] | 0.070507
| 0
| 0.061425
| 0.073907
| 0.069971
| 0.067702
| -30.282748
| -30.006578
| -30.008457
| -30.019932
| -30.699768
| -30.043781
|
agm002763968
| 4
|
[
"Nb",
"F",
"Cl",
"Cl"
] | 0.978243
| 1.001234
| 0.930145
| 0.969989
| 0.980262
| 0.96972
| -18.897353
| -18.812107
| -18.854553
| -18.853827
| -18.759766
| -18.925325
|
agm003858966
| 4
|
[
"Mo",
"Mo",
"Fe",
"Cl"
] | 0.702899
| 0.694158
| 0.679452
| 0.698657
| 0.708827
| 0.716509
| -30.605503
| -30.580656
| -30.609133
| -30.568075
| -30.472317
| -30.59063
|
agm004138196
| 4
|
[
"Ru",
"Fe",
"Fe",
"Cl"
] | 0.944642
| 1.042476
| 0.925186
| 0.955297
| 0.938718
| 0.958915
| -25.401727
| -24.933691
| -24.933729
| -24.93347
| -24.721283
| -25.05658
|
agm005018390
| 5
|
[
"Pu",
"Si",
"Si",
"Tc",
"Ru"
] | 0.037431
| 0.192463
| 0.069518
| 0.032346
| 0.034855
| 0.038322
| -47.692354
| -47.316338
| -47.303478
| -47.281292
| -46.116131
| -47.040604
|
agm003931115
| 4
|
[
"Sb",
"Fe",
"Cl",
"Cl"
] | 0.936459
| 0.871764
| 0.939798
| 0.95818
| 0.963086
| 0.969446
| -14.90647
| -14.618622
| -14.64259
| -14.600403
| -15.0405
| -14.74867
|
agm002759864
| 4
|
[
"Cl",
"Cl",
"Tc",
"Fe"
] | 1.162195
| 0.93001
| 1.011678
| 1.05862
| 1.161652
| 1.084261
| -20.117904
| -19.848814
| -20.345036
| -20.291803
| -20.899208
| -20.471045
|
agm003832960
| 3
|
[
"Fe",
"W",
"Cl"
] | 0.893752
| 1.11972
| 0.891731
| 0.891084
| 0.891177
| 0.896608
| -21.736149
| -21.545856
| -21.55385
| -21.564753
| -21.059099
| -21.500803
|
agm001838419
| 3
|
[
"Li",
"Hg",
"Pm"
] | 0.087328
| 0.08736
| 0.094822
| 0.090664
| 0.084436
| 0.096675
| -7.754745
| -7.599574
| -7.590049
| -7.587217
| -7.818257
| -7.594036
|
agm003854025
| 3
|
[
"Hg",
"Sb",
"Sr"
] | 0.146971
| 0.145148
| 0.073701
| 0.12917
| 0.124827
| 0.127965
| -7.658049
| -7.558762
| -7.547894
| -7.562786
| -7.690763
| -7.673412
|
agm004154530
| 4
|
[
"Zn",
"Fe",
"Fe",
"Cl"
] | 0.761428
| 0.769164
| 0.749923
| 0.751002
| 0.751227
| 0.748394
| -18.750504
| -18.198626
| -18.228405
| -18.233892
| -18.647425
| -18.276672
|
mp-1194540
| 34
|
[
"Rb",
"Rb",
"Rb",
"Rb",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sb",
"Sb",
"Sb",
"Sb",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0
| 0.00139
| 0.006817
| 0.001631
| 0.001536
| 0.00174
| -146.075789
| -144.938065
| -144.85144
| -144.936234
| -145.79512
| -144.294464
|
oqmd-4259049
| 3
|
[
"Hg",
"Sr",
"U"
] | 1.081424
| 0.941058
| 0.98507
| 1.061093
| 1.029612
| 1.010841
| -11.1066
| -10.966084
| -10.859565
| -11.020416
| -11.469755
| -11.064968
|
oqmd-9715186
| 30
|
[
"Rb",
"Rb",
"Rb",
"Rb",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Zn",
"Zn"
] | 0.017495
| 0.014811
| 0.00805
| 0.008996
| 0.011051
| 0.016031
| -122.799
| -122.573074
| -122.527878
| -122.504776
| -122.635803
| -122.286659
|
oqmd-3722689
| 3
|
[
"Hg",
"Sr",
"W"
] | 2.09838
| 1.900934
| 2.137886
| 2.113566
| 2.115731
| 2.12334
| -9.72353
| -9.519981
| -9.515741
| -9.496461
| -10.069628
| -9.440104
|
agm002574998
| 5
|
[
"Hf",
"Bi",
"Rb",
"Rb",
"Rb"
] | 1.248157
| 1.155606
| 1.237585
| 1.263668
| 1.255585
| 1.263054
| -11.830563
| -11.644623
| -11.616896
| -11.640077
| -12.306139
| -11.611139
|
agm005681934
| 3
|
[
"Hf",
"Bi",
"Rh"
] | 0
| 0.071301
| 0.021349
| 0
| 0
| 0
| -23.116228
| -22.921864
| -22.91193
| -22.917776
| -22.771288
| -22.719851
|
oqmd-3378082
| 3
|
[
"Ho",
"Mg",
"Nb"
] | 1.049767
| 0.775678
| 0.995411
| 0.994047
| 0.967484
| 0.990101
| -13.3679
| -13.363807
| -13.282428
| -13.302018
| -14.085873
| -13.302655
|
agm002293439
| 3
|
[
"Sb",
"Ho",
"Na"
] | 0.284458
| 0.194753
| 0.290197
| 0.277063
| 0.272566
| 0.275011
| -11.413247
| -11.388831
| -11.352968
| -11.360786
| -11.617719
| -11.309266
|
agm001260164
| 3
|
[
"Tb",
"Ho",
"O"
] | 0.218496
| 0.228222
| 4.794234
| 0.217845
| 0.215516
| 0.218297
| -19.544674
| -19.421301
| -19.421659
| -19.428844
| -19.48243
| -19.50338
|
agm002780079
| 4
|
[
"S",
"S",
"Hf",
"Bi"
] | 1.084689
| 1.068686
| 1.0932
| 1.091408
| 1.070465
| 1.094914
| -22.501884
| -22.5268
| -22.465883
| -22.460476
| -22.493206
| -22.407904
|
agm001975660
| 4
|
[
"Tb",
"Bi",
"Bi",
"Hg"
] | 0.410489
| 0.296487
| 0.334701
| 0.354991
| 0.359533
| 0.343039
| -13.062642
| -12.846706
| -12.876833
| -12.920052
| -13.151436
| -12.882611
|
agm003482020
| 9
|
[
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Hg",
"Bi",
"Bi"
] | 0.051538
| 0.038014
| 0.036945
| 0.038344
| 0.033831
| 0.059112
| -22.134178
| -21.369097
| -21.269993
| -21.261538
| -22.155428
| -21.198824
|
agm001257447
| 80
|
[
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl"
] | 0.186831
| 0.091125
| 0.187699
| 0.20126
| 0.202097
| 0.222622
| -183.208154
| -173.938599
| -173.391266
| -173.936462
| -189.515106
| -173.820984
|
agm001275633
| 3
|
[
"Tm",
"Bi",
"Hg"
] | 0.222029
| 0.222006
| 0.146426
| 0.144214
| 0.144485
| 0.145498
| -9.758738
| -9.67591
| -9.667738
| -9.665866
| -9.513163
| -9.651004
|
agm004315977
| 3
|
[
"Al",
"Hg",
"Ba"
] | 0.255457
| 0.2435
| 0.250673
| 0.265053
| 0.264443
| 0.262252
| -6.408315
| -6.262373
| -6.247385
| -6.25578
| -6.427504
| -6.273903
|
agm001173323
| 6
|
[
"Gd",
"Co",
"Co",
"Co",
"Co",
"Sn"
] | 0.151273
| 0.113074
| 0.149604
| 0.154508
| 0.133199
| 0.140366
| -47.141417
| -46.71455
| -46.663174
| -46.743042
| -47.266453
| -46.649673
|
oqmd-7487498
| 12
|
[
"Rb",
"Rb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Si",
"Si",
"Tm",
"Tm"
] | 0.259394
| 0.206767
| 0.259038
| 0.260821
| 0.242604
| 0.258677
| -54.9221
| -55.083748
| -54.901451
| -54.94249
| -55.489552
| -54.862099
|
agm006094774
| 10
|
[
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Bi",
"Bi",
"Bi",
"Bi",
"Se"
] | 0.104026
| 0.04365
| 0.024323
| 0.02524
| 0.026956
| 0.027087
| -51.809945
| -51.417465
| -51.417542
| -51.427547
| -51.433998
| -51.410091
|
agm005585836
| 12
|
[
"Tl",
"Tl",
"Tl",
"Tl",
"In",
"In",
"In",
"In",
"In",
"In",
"Bi",
"Bi"
] | 0.0432
| 0.024557
| 0.017635
| 0.023926
| 0.110965
| 0.024043
| -33.495355
| -32.032127
| -32.037788
| -32.085197
| -33.514698
| -31.961752
|
agm2000076460
| 6
|
[
"Zn",
"Fe",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.059293
| 0.023518
| 0.041098
| 0.051776
| 0.039321
| 0.062857
| -22.451482
| -22.167875
| -22.157131
| -22.141335
| -22.534014
| -22.109934
|
agm005125823
| 4
|
[
"U",
"In",
"Bi",
"Bi"
] | 0.264694
| 0.197432
| 0.22584
| 0.26852
| 0.262735
| 0.27838
| -20.795265
| -20.479008
| -20.493282
| -20.447681
| -20.957893
| -20.53376
|
agm001155695
| 4
|
[
"Co",
"Gd",
"Gd",
"Tb"
] | 0.104908
| 0.080551
| 0.12011
| 0.128188
| 1.219763
| 0.100968
| -39.991503
| -35.520634
| -39.836582
| -39.898327
| -40.13372
| -39.965443
|
agm001845924
| 3
|
[
"Co",
"Ge",
"Hf"
] | 0.355614
| 0.256098
| 0.365948
| 0.357006
| 0.370473
| 0.370652
| -22.638802
| -22.444208
| -22.416359
| -22.4056
| -22.916428
| -22.400089
|
agm001259090
| 3
|
[
"Np",
"Ge",
"Co"
] | 0.085153
| 0.105395
| 0.084829
| 0.062234
| 0.062371
| 0.068573
| -25.244151
| -24.881811
| -24.905981
| -24.898485
| -24.82766
| -24.869852
|
agm002491157
| 5
|
[
"H",
"Bi",
"F",
"F",
"F"
] | 0.854457
| 0.745966
| 0.78103
| 0.84915
| 0.853621
| 0.858383
| -18.487322
| -18.213135
| -18.24085
| -18.206472
| -19.008308
| -18.518778
|
agm003498257
| 9
|
[
"Hg",
"Hg",
"Bi",
"F",
"F",
"F",
"F",
"F",
"F"
] | 0.123597
| 0.088088
| 0.093169
| 0.118689
| 0.122453
| 0.124514
| -31.175627
| -30.348644
| -30.388836
| -30.344763
| -31.373833
| -30.512295
|
agm002472962
| 5
|
[
"Mo",
"Mo",
"Mo",
"Bi",
"F"
] | 4.103231
| 2.287641
| 3.583227
| 3.976051
| 4.077352
| 3.953972
| -21.077004
| -21.316944
| -21.858229
| -21.962685
| -29.525436
| -23.805058
|
oqmd-2317132
| 4
|
[
"Bi",
"Fe",
"Pd",
"Pd"
] | 0.273351
| 0.372849
| 0.285537
| 0.244848
| 0.25621
| 0.262228
| -22.6243
| -22.386045
| -22.415985
| -22.348995
| -22.029633
| -22.290388
|
agm005788842
| 8
|
[
"Ho",
"Ho",
"Ho",
"Ho",
"H",
"H",
"Pb",
"Pb"
] | 0.059119
| 0.031001
| 0.057841
| 0.063209
| 0.061788
| 0.057913
| -36.755684
| -36.203484
| -36.182236
| -36.233448
| -36.922913
| -36.147198
|
agm001080620
| 7
|
[
"H",
"Ho",
"Ho",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.152989
| 0.194996
| 0.15887
| 0.148329
| 0.155606
| 0.151508
| -38.247553
| -38.208153
| -38.222889
| -38.211987
| -37.956505
| -38.124176
|
agm003897815
| 4
|
[
"Ag",
"Ag",
"Cl",
"Si"
] | 0.69428
| 0.539066
| 0.679094
| 0.673477
| 0.676783
| 0.676397
| -11.764224
| -11.555208
| -11.564017
| -11.558167
| -12.284917
| -11.539173
|
agm2000113574
| 5
|
[
"S",
"S",
"Pd",
"Pd",
"Pd"
] | 0.231057
| 0.232514
| 0.258992
| 0.269138
| 0.314488
| 0.240087
| -24.136227
| -23.948191
| -24.109102
| -24.288607
| -24.333307
| -24.116745
|
oqmd-9750638
| 32
|
[
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Tl",
"Tl"
] | 0.132876
| 0.106291
| 0.119121
| 0.126089
| 0.119331
| 0.125323
| -157.963
| -159.186386
| -158.611359
| -158.441162
| -158.790558
| -158.357864
|
agm001980789
| 4
|
[
"I",
"H",
"H",
"Nd"
] | 0.10577
| 0.067512
| 0.079058
| 0.107295
| 0.105094
| 0.101995
| -16.21272
| -16.162682
| -16.160282
| -16.183615
| -16.318468
| -16.254448
|
agm004433622
| 4
|
[
"Pt",
"Si",
"Si",
"Si"
] | 0.453392
| 0.602769
| 0.456943
| 0.444474
| 0.431458
| 0.435909
| -21.868324
| -21.940554
| -21.939325
| -21.961382
| -21.222338
| -21.888258
|
agm003194820
| 5
|
[
"U",
"Si",
"Si",
"Ru",
"Rh"
] | 0
| 0
| 0.001286
| 0
| 0.001355
| 0
| -42.483395
| -42.199402
| -42.198463
| -42.205647
| -42.441334
| -42.233788
|
agm003797654
| 4
|
[
"Re",
"Re",
"W",
"W"
] | 0.097722
| 0.132153
| 0.103896
| 0.09827
| 0.104452
| 0.10293
| -50.433944
| -50.341839
| -50.291958
| -50.314278
| -50.153488
| -50.326782
|
agm004452093
| 12
|
[
"Re",
"Re",
"Re",
"Re",
"Re",
"Re",
"W",
"W",
"W",
"W",
"W",
"W"
] | 2.344911
| 2.479886
| 2.305274
| 2.352783
| 2.370093
| 2.350027
| -124.335562
| -123.83783
| -123.821724
| -123.977669
| -122.287666
| -124.563797
|
agm003781139
| 4
|
[
"Ru",
"Ta",
"Ta",
"Ta"
] | 0.100572
| 0.223852
| 0.113756
| 0.113121
| 0.112849
| 0.107781
| -45.546816
| -45.310822
| -45.309555
| -45.329327
| -45.412735
| -45.359306
|
agm004182372
| 4
|
[
"Ru",
"Ru",
"Ru",
"Tc"
] | 0.144148
| 0.114964
| 0.138899
| 0.147225
| 0.139531
| 0.145092
| -37.88942
| -37.732071
| -37.705124
| -37.718933
| -37.973
| -37.737709
|
agm005744088
| 10
|
[
"H",
"H",
"I",
"I",
"O",
"O",
"O",
"O",
"O",
"O"
] | 1.07162
| 1.055611
| 12.497847
| 1.056377
| 1.048407
| 1.073534
| -33.793492
| -34.055248
| -33.979549
| -33.822227
| -33.836849
| -33.721748
|
agm003659953
| 10
|
[
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"In",
"In",
"In",
"In",
"H"
] | 0.214535
| 0.130973
| 0.205807
| 0.220004
| 0.218857
| 0.211894
| -40.99764
| -40.0616
| -40.014229
| -40.070255
| -41.876804
| -40.080418
|
agm003913780
| 3
|
[
"Ag",
"Ir",
"Mo"
] | 0.520903
| 0.671721
| 0.538771
| 0.513733
| 0.524824
| 0.51452
| -21.644914
| -21.595238
| -21.610098
| -21.616085
| -21.202721
| -21.585365
|
agm006183595
| 5
|
[
"S",
"S",
"S",
"S",
"Se"
] | 1.16854
| 1.064851
| 1.144879
| 1.200904
| 1.197965
| 1.228281
| -14.158311
| -14.063549
| -14.049816
| -14.113596
| -14.644317
| -14.215312
|
agm005018183
| 5
|
[
"Y",
"Ta",
"Si",
"Si",
"Ru"
] | 0.144874
| 0.10741
| 0.139562
| 0.140717
| 0.144967
| 0.14577
| -41.779159
| -41.628983
| -41.637417
| -41.630192
| -41.850353
| -41.648037
|
agm2000023005
| 4
|
[
"Sn",
"Sn",
"S",
"S"
] | 0.051368
| 0.042272
| 0.042842
| 0.048204
| 0.036937
| 0.041834
| -17.84242
| -17.589039
| -17.525002
| -17.562943
| -17.831505
| -17.488214
|
mp-1095397
| 12
|
[
"Sn",
"Sn",
"Sn",
"Sn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.011265
| 0.013289
| 0.028499
| 0.013762
| 0.016756
| 0.007235
| -53.485172
| -52.698616
| -52.767326
| -52.788383
| -53.412552
| -52.685516
|
agm004034022
| 4
|
[
"Ag",
"Ni",
"Rh",
"Rh"
] | 0.331207
| 0.244714
| 0.305995
| 0.323473
| 0.320774
| 0.323286
| -22.010637
| -21.434549
| -21.427183
| -21.429987
| -22.298082
| -21.47702
|
agm003294187
| 4
|
[
"V",
"V",
"S",
"S"
] | 0.466428
| 0.311663
| 0.388021
| 0.448372
| 0.447952
| 0.452492
| -28.470325
| -28.215956
| -28.184555
| -28.1619
| -28.808931
| -28.282364
|
agm2000030539
| 10
|
[
"S",
"S",
"S",
"S",
"S",
"S",
"Yb",
"Yb",
"Yb",
"Yb"
] | 1.242055
| 1.086443
| 1.642624
| 1.615409
| 1.615953
| 1.613915
| -35.71893
| -46.936295
| -46.947571
| -46.97752
| -37.390388
| -46.611542
|
agm003225972
| 20
|
[
"Ga",
"Ga",
"Ga",
"Ga",
"Bi",
"Bi",
"Bi",
"Bi",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0.004789
| 0.001431
| 10.379816
| 0
| 0.000248
| 0.002031
| -118.034058
| -117.515572
| -117.422066
| -117.395912
| -117.968185
| -117.081802
|
agm003229476
| 23
|
[
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Zn",
"Si",
"Si",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.019773
| 0.012733
| 0.020204
| 0.020147
| 0.02237
| 0.02121
| -145.175613
| -145.023544
| -145.047791
| -145.055237
| -145.167969
| -144.856567
|
agm002831384
| 8
|
[
"Bi",
"Bi",
"Ga",
"Ga",
"Ga",
"Ga",
"Tc",
"Tc"
] | 0.561767
| 0.451954
| 0.551099
| 0.578546
| 0.562944
| 0.575402
| -37.410521
| -36.78941
| -36.722198
| -36.751957
| -38.076366
| -36.710659
|
mp-1219058
| 32
|
[
"Sm",
"Sm",
"Sm",
"Sm",
"Th",
"Th",
"Th",
"Th",
"U",
"U",
"U",
"U",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.058584
| 0.059548
| 0.041932
| 0.048989
| 0.06048
| 0.054915
| -234.078875
| -233.304062
| -233.431122
| -233.318085
| -233.707428
| -233.342712
|
agm001987391
| 4
|
[
"Ga",
"Ga",
"Bi",
"Th"
] | 0.367704
| 0.253619
| 0.362852
| 0.356847
| 0.355198
| 0.361908
| -17.826977
| -17.65667
| -17.659258
| -17.646
| -18.294054
| -17.615561
|
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