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
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
agm2000007465
| 4
|
[
"Ba",
"Ba",
"Se",
"Se"
] | 1.036538
| 0.67088
| 0.81208
| 0.961078
| 0.982095
| 0.965386
| -14.874841
| -15.079664
| -15.157701
| -15.142933
| -16.287199
| -15.729372
|
agm003817935
| 4
|
[
"Ba",
"Si",
"Si",
"Si"
] | 0.143689
| 0.094471
| 0.155557
| 0.167112
| 0.183263
| 0.1524
| -18.701909
| -18.474264
| -18.556536
| -18.639194
| -18.823328
| -18.533367
|
agm003909601
| 4
|
[
"Re",
"Re",
"Be",
"Be"
] | 0.53656
| 0.353791
| 0.524566
| 0.528797
| 0.525569
| 0.538452
| -31.52265
| -31.460238
| -31.447514
| -31.449657
| -32.1334
| -31.470041
|
agm005275938
| 4
|
[
"Hg",
"Bi",
"Bi",
"Bi"
] | 0.136004
| 0.096619
| 0.088062
| 0.155232
| 0.143522
| 0.156241
| -11.485159
| -11.30328
| -11.312511
| -11.277953
| -11.455709
| -11.36865
|
agm001143916
| 4
|
[
"Sb",
"Sb",
"Ac",
"As"
] | 0.356752
| 0.257031
| 0.330893
| 0.352187
| 0.341051
| 0.36366
| -18.554929
| -18.611488
| -18.585499
| -18.533691
| -18.629696
| -18.597004
|
agm004747946
| 6
|
[
"Sm",
"Zn",
"Zn",
"Pd",
"Pd",
"Pt"
] | 0.38017
| 0.420814
| 0.386669
| 0.365942
| 0.372521
| 0.367123
| -26.07569
| -25.751234
| -25.790871
| -25.785431
| -25.868273
| -25.672298
|
agm003189616
| 4
|
[
"Ac",
"Au",
"Au",
"Ca"
] | 0.013702
| 0.000063
| 0.025322
| 0.026953
| 0.018234
| 0.023707
| -15.87413
| -15.678126
| -15.630334
| -15.646205
| -15.860376
| -15.619865
|
agm003868821
| 4
|
[
"Os",
"Br",
"Br",
"Br"
] | 0.477079
| 0.334395
| 0.474472
| 0.475349
| 0.479591
| 0.472738
| -14.67604
| -14.670632
| -14.697145
| -14.708582
| -15.238191
| -14.696942
|
agm003809020
| 4
|
[
"Te",
"Te",
"Br",
"Br"
] | 0.521928
| 0.600308
| 0.515457
| 0.549218
| 0.564973
| 0.537958
| -8.460231
| -8.359356
| -8.396448
| -8.4198
| -8.136737
| -8.454089
|
agm001198491
| 4
|
[
"Pb",
"Ac",
"Ba",
"Ba"
] | 0.192696
| 0.227885
| 0.165564
| 0.194935
| 0.21815
| 0.18962
| -12.536777
| -12.24881
| -12.251907
| -12.281855
| -12.375324
| -12.288242
|
agm002049623
| 4
|
[
"C",
"C",
"Se",
"Se"
] | 0.96272
| 0.762361
| 0.847471
| 0.962096
| 0.966783
| 0.960748
| -21.593129
| -21.622854
| -21.617609
| -21.641211
| -22.30769
| -21.854332
|
agm002204396
| 4
|
[
"Ir",
"Ir",
"Ir",
"Cd"
] | 0.202108
| 0.209854
| 0.201764
| 0.203677
| 0.209203
| 0.204042
| -26.767523
| -26.57338
| -26.552307
| -26.563307
| -26.733049
| -26.514341
|
agm004014053
| 4
|
[
"Tc",
"Cu",
"Cl",
"Cl"
] | 0.474444
| 0.327757
| 0.456241
| 0.491778
| 0.510924
| 0.50303
| -18.157772
| -17.73304
| -17.764183
| -17.759699
| -18.719446
| -17.760887
|
oqmd-5384287
| 4
|
[
"Cd",
"Cd",
"Ir",
"Ir"
] | 0.468879
| 0.601623
| 0.466566
| 0.453556
| 0.46449
| 0.462925
| -17.8324
| -17.499651
| -17.53783
| -17.510525
| -17.272413
| -17.421383
|
agm001159733
| 4
|
[
"Ac",
"Bi",
"La",
"La"
] | 0.116502
| 0.130912
| 0.130868
| 0.106318
| 0.114727
| 0.099129
| -19.643399
| -19.529217
| -19.524982
| -19.54291
| -19.507002
| -19.442148
|
agm004708536
| 20
|
[
"Rb",
"Ta",
"Ta",
"Ta",
"Pd",
"Pd",
"Pd",
"Pd",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 0.317528
| 0.247262
| 0.29805
| 0.324886
| 0.323809
| 0.319746
| -106.609142
| -106.628784
| -106.691383
| -106.754471
| -107.850983
| -106.48214
|
agm001190694
| 4
|
[
"Sc",
"Sc",
"Sc",
"Ce"
] | 0.0738
| 0.039794
| 0.091102
| 0.072655
| 0.072907
| 0.072246
| -24.641867
| -24.385073
| -24.385637
| -24.391277
| -24.591507
| -24.336143
|
agm002354994
| 2
|
[
"Se",
"Ce"
] | 0.190406
| 0.169374
| 0.200468
| 0.202641
| 0.184969
| 0.210845
| -12.673723
| -12.691784
| -12.663855
| -12.651782
| -12.693347
| -12.692985
|
agm003661294
| 11
|
[
"Zr",
"V",
"V",
"V",
"V",
"V",
"V",
"Ge",
"Ge",
"Ge",
"Ge"
] | 0.523758
| 0.433864
| 0.569371
| 0.530241
| 0.531558
| 0.543171
| -81.039769
| -79.627518
| -79.634087
| -79.441887
| -81.649292
| -79.304962
|
agm002679978
| 4
|
[
"Y",
"Ge",
"W",
"W"
] | 1.254012
| 0.936102
| 1.246874
| 1.245095
| 1.238053
| 1.254213
| -33.79217
| -33.675751
| -33.662262
| -33.641781
| -34.524227
| -33.677265
|
agm001830204
| 4
|
[
"Se",
"Ce",
"Ce",
"Ce"
] | 0.288968
| 0.381216
| 0.347846
| 0.28288
| 0.278337
| 0.29309
| -23.77449
| -23.792521
| -23.803734
| -23.746874
| -23.307783
| -23.601927
|
agm004192488
| 4
|
[
"Cl",
"Cl",
"W",
"W"
] | 1.598097
| 1.134861
| 1.557597
| 1.562335
| 1.595116
| 1.63527
| -25.408966
| -25.405951
| -25.53051
| -25.233027
| -27.016752
| -25.395672
|
agm003853364
| 4
|
[
"Cu",
"Cu",
"W",
"Cl"
] | 1.211213
| 1.069774
| 1.200344
| 1.238706
| 1.245394
| 1.225394
| -19.249764
| -18.421431
| -18.419287
| -18.488609
| -19.673597
| -18.498737
|
agm004022467
| 4
|
[
"Cl",
"Zn",
"Zn",
"Zn"
] | 0.474709
| 0.357915
| 0.472913
| 0.438841
| 0.470934
| 0.467881
| -5.489336
| -5.034155
| -5.068308
| -5.005347
| -5.919571
| -4.945625
|
agm001416939
| 4
|
[
"Co",
"Co",
"Cu",
"Cu"
] | 0.091068
| 0.109518
| 0.085599
| 0.083725
| 0.076795
| 0.088713
| -22.045968
| -21.238354
| -21.213249
| -21.225904
| -21.887884
| -21.222851
|
agm002738250
| 4
|
[
"Si",
"Bi",
"Bi",
"Cu"
] | 0.506166
| 0.420013
| 0.483413
| 0.518527
| 0.519382
| 0.504233
| -15.35606
| -14.955127
| -15.011312
| -15.0508
| -15.593395
| -15.01856
|
agm001962298
| 4
|
[
"Sc",
"Sc",
"Bi",
"Dy"
] | 0.659481
| 0.373775
| 0.581234
| 0.605101
| 0.596443
| 0.603728
| -20.555276
| -20.405563
| -20.362154
| -20.370802
| -21.504169
| -20.507401
|
agm005019287
| 5
|
[
"U",
"Si",
"Si",
"Pd",
"Rh"
] | 0.024782
| 0
| 0.026091
| 0.025659
| 0.024071
| 0.029009
| -38.159863
| -37.93045
| -37.927197
| -37.935898
| -38.348427
| -38.014122
|
agm003831243
| 4
|
[
"Y",
"Cu",
"Cu",
"Cl"
] | 0.442471
| 0.462451
| 0.462369
| 0.428514
| 0.453944
| 0.432518
| -18.395994
| -17.660101
| -17.760433
| -17.75362
| -18.330528
| -17.641121
|
agm003187554
| 4
|
[
"Ni",
"Co",
"Co",
"Co"
] | 0.021044
| 0.036143
| 0.010588
| 0.018094
| 0.022098
| 0.018102
| -27.123184
| -26.588697
| -26.583366
| -26.58572
| -26.899794
| -26.59771
|
agm004708703
| 20
|
[
"Ta",
"Ta",
"Ta",
"Tl",
"Pd",
"Pd",
"Pd",
"Pd",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.298065
| 0.284714
| 0.31119
| 0.302178
| 0.305715
| 0.296517
| -116.122805
| -115.983398
| -116.006767
| -116.126022
| -116.794853
| -115.646202
|
agm004979880
| 20
|
[
"Ta",
"Ta",
"V",
"V",
"Pd",
"Pd",
"Pd",
"Pd",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.182172
| 0.221177
| 0.210126
| 0.180768
| 0.178976
| 0.18514
| -123.160596
| -123.200157
| -123.051781
| -122.95752
| -122.654526
| -122.639519
|
agm003902950
| 4
|
[
"Co",
"Te",
"Te",
"Te"
] | 0.155475
| 0.078398
| 0.143107
| 0.160023
| 0.154901
| 0.15797
| -16.51429
| -16.437269
| -16.41288
| -16.464779
| -16.789978
| -16.474443
|
agm005509398
| 12
|
[
"Tl",
"Tl",
"Tl",
"Tl",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co"
] | 1.125231
| 1.305783
| 1.134795
| 1.119812
| 1.160936
| 1.144787
| -52.827522
| -51.071987
| -51.690472
| -51.417545
| -50.337753
| -51.572426
|
agm004749143
| 6
|
[
"Sr",
"Sn",
"Sn",
"Sb",
"Pd",
"Pd"
] | 0.348833
| 0.246943
| 0.333609
| 0.341486
| 0.341771
| 0.347135
| -26.166029
| -25.821142
| -25.76922
| -25.81642
| -26.784016
| -25.827557
|
agm003856402
| 4
|
[
"Cu",
"Zr",
"Cl",
"Cl"
] | 0.871539
| 0.703314
| 0.819155
| 0.863197
| 0.857431
| 0.860363
| -17.797061
| -17.539804
| -17.513931
| -17.531906
| -18.416876
| -17.654783
|
agm002279975
| 6
|
[
"I",
"I",
"H",
"H",
"Hf",
"Hf"
] | 0.164895
| 0.151211
| 0.138024
| 0.183785
| 0.150136
| 0.196892
| -32.59643
| -32.589806
| -32.42276
| -32.322647
| -32.726212
| -32.648529
|
agm001941587
| 4
|
[
"Bi",
"Sn",
"Dy",
"Dy"
] | 0.158029
| 0.048375
| 0.102994
| 0.102044
| 0.103408
| 0.099691
| -19.830733
| -19.541874
| -19.540487
| -19.559267
| -20.068451
| -19.542669
|
agm001226046
| 4
|
[
"Bi",
"Sn",
"Dy",
"Dy"
] | 0.269549
| 0.062713
| 0.206326
| 0.206973
| 0.209368
| 0.207613
| -19.384655
| -19.118036
| -19.120773
| -19.127583
| -20.011099
| -19.129341
|
agm001160064
| 4
|
[
"Tb",
"Tb",
"Bi",
"Dy"
] | 0.166348
| 0.111687
| 0.107015
| 0.118457
| 0.11747
| 0.118865
| -19.156863
| -18.937775
| -18.933737
| -18.951868
| -19.155533
| -18.985918
|
agm001103399
| 5
|
[
"Eu",
"Cl",
"Cl",
"Cl",
"In"
] | 0.093566
| 0.05959
| 0.09067
| 0.078672
| 0.090678
| 0.087986
| -26.86617
| -26.740664
| -26.782803
| -26.770657
| -27.051195
| -26.782871
|
agm004996629
| 10
|
[
"Pm",
"Pm",
"Pr",
"Pr",
"Sm",
"Sm",
"Sm",
"Sm",
"Sc",
"Sc"
] | 0.213339
| 0.196634
| 0.199079
| 0.206005
| 0.215355
| 0.208339
| -48.485843
| -47.795246
| -47.774414
| -47.820518
| -48.438324
| -47.820053
|
agm001096281
| 4
|
[
"Pr",
"Pr",
"Ac",
"Dy"
] | 0.166963
| 0.088593
| 0.131878
| 0.165377
| 0.189492
| 0.166446
| -17.631409
| -17.376513
| -17.396614
| -17.405611
| -18.038622
| -17.491112
|
agm003973884
| 4
|
[
"Mo",
"Pb",
"Se",
"Se"
] | 0.731176
| 0.524919
| 0.70281
| 0.733912
| 0.731267
| 0.732038
| -20.756724
| -20.720873
| -20.707853
| -20.716837
| -21.459871
| -20.845219
|
agm001959481
| 4
|
[
"Eu",
"Eu",
"Ir",
"Cl"
] | 0.097289
| 0.074471
| 0.086827
| 0.074985
| 0.061253
| 0.083323
| -35.368411
| -35.516689
| -35.471077
| -35.472382
| -35.513889
| -35.482792
|
agm002925308
| 5
|
[
"H",
"H",
"Hf",
"Pd",
"Pd"
] | 0.213946
| 0.209154
| 0.196604
| 0.205845
| 0.21686
| 0.198342
| -28.877024
| -28.841549
| -28.878248
| -28.941477
| -28.91507
| -28.91433
|
agm002838837
| 8
|
[
"H",
"H",
"H",
"H",
"Hf",
"Hf",
"Pt",
"Pt"
] | 0.379107
| 0.304643
| 0.374278
| 0.380916
| 0.386075
| 0.362541
| -47.59248
| -47.511242
| -47.509739
| -47.690826
| -48.037308
| -47.53302
|
agm005408354
| 5
|
[
"Zr",
"Zr",
"Zr",
"Zr",
"Cr"
] | 0.726622
| 0.596519
| 0.658767
| 0.728499
| 0.743355
| 0.72933
| -40.262053
| -40.028706
| -40.035686
| -40.053185
| -41.011433
| -40.383507
|
agm003293585
| 4
|
[
"Dy",
"Dy",
"Sc",
"Sc"
] | 0.050885
| 0.012818
| 0.053512
| 0.058624
| 0.043211
| 0.05193
| -21.673448
| -21.407288
| -21.33106
| -21.380589
| -21.691103
| -21.358761
|
agm002185097
| 3
|
[
"Se",
"Se",
"Dy"
] | 0.308051
| 0.197163
| 0.27208
| 0.315649
| 0.324125
| 0.305699
| -15.398933
| -15.319664
| -15.341581
| -15.370194
| -15.686991
| -15.425955
|
agm001827719
| 4
|
[
"Ti",
"Dy",
"Dy",
"Dy"
] | 0.351771
| 0.295925
| 0.353556
| 0.341947
| 0.343309
| 0.34938
| -20.306891
| -20.041063
| -20.037573
| -20.03652
| -20.391134
| -19.993885
|
agm001202128
| 4
|
[
"Eu",
"Eu",
"Sb",
"Cl"
] | 0.213608
| 0.10946
| 0.203212
| 0.21686
| 0.215999
| 0.218711
| -31.78609
| -31.854855
| -31.858738
| -31.821278
| -32.193008
| -31.86454
|
agm003185789
| 4
|
[
"Hg",
"Er",
"Er",
"Er"
] | 0.121717
| 0.071051
| 0.098733
| 0.124239
| 0.12452
| 0.128206
| -14.60206
| -14.285058
| -14.284246
| -14.273527
| -14.627211
| -14.359272
|
agm004487872
| 11
|
[
"Pm",
"Pm",
"Pm",
"Si",
"Si",
"Sn",
"Sn",
"Pt",
"Pt",
"Pt",
"Pt"
] | 0.095038
| 0.11802
| 0.132014
| 0.102153
| 0.088791
| 0.099003
| -68.032285
| -67.572243
| -67.465691
| -67.533737
| -67.386131
| -67.146492
|
oqmd-5989616
| 4
|
[
"H",
"H",
"Hf",
"Se"
] | 0
| 0.115906
| 0.001242
| 0.001369
| 0
| 0.000208
| -23.2489
| -23.263544
| -23.219372
| -23.229338
| -22.727808
| -23.116199
|
agm002147410
| 4
|
[
"Pt",
"Pt",
"Er",
"Er"
] | 0.012129
| 0
| 0
| 0.008876
| 0.013701
| 0.01067
| -26.463986
| -26.341303
| -26.351845
| -26.34754
| -26.540285
| -26.373884
|
agm001851962
| 3
|
[
"Er",
"Pu",
"Pu"
] | 0.293002
| 0.503756
| 0.156791
| 0.187639
| 0.179296
| 0.21964
| -32.349367
| -31.775709
| -31.796906
| -31.792078
| -32.319145
| -32.012707
|
oqmd-3703366
| 2
|
[
"Er",
"Sb"
] | 0.000324
| 0.000002
| 0.000022
| 0.000112
| 0.000294
| 0.000239
| -10.8734
| -10.813235
| -10.813327
| -10.813932
| -10.775829
| -10.816664
|
mp-2191
| 2
|
[
"Er",
"Sb"
] | 0
| 0.00017
| 0.000048
| 0.000003
| 0.002652
| 0.00034
| -10.874047
| -10.808519
| -10.813544
| -10.813732
| -10.775494
| -10.816611
|
agm2000111042
| 4
|
[
"Hg",
"Hg",
"F",
"F"
] | 0.232945
| 0.212974
| 0.19342
| 0.231424
| 0.226981
| 0.223928
| -8.258624
| -7.838751
| -7.810167
| -7.861043
| -8.280576
| -7.884753
|
agm002147493
| 12
|
[
"Ni",
"Ni",
"Ni",
"Ni",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 0.147282
| 0.040722
| 0.03715
| 0.052967
| 0.083353
| 0.067879
| -50.689067
| -49.696671
| -50.085594
| -49.960533
| -51.482059
| -50.280441
|
agm002672009
| 4
|
[
"Zn",
"F",
"F",
"F"
] | 0.591036
| 0.582622
| 0.549536
| 0.571877
| 0.565614
| 0.581124
| -11.525078
| -11.193344
| -11.16268
| -11.134455
| -11.453915
| -11.334507
|
agm004194317
| 4
|
[
"Fe",
"Hg",
"Hg",
"Hg"
] | 0.447198
| 0.414393
| 0.45226
| 0.452449
| 0.436156
| 0.448469
| -7.596892
| -7.088614
| -7.029383
| -7.040484
| -7.567872
| -7.028364
|
agm005017542
| 5
|
[
"Pm",
"Ti",
"Zn",
"Rh",
"Rh"
] | 0.085746
| 0.058548
| 0.080889
| 0.078804
| 0.078337
| 0.084971
| -31.721621
| -31.16004
| -31.157022
| -31.158464
| -31.760529
| -31.14636
|
agm003186053
| 4
|
[
"Ir",
"Ir",
"Ir",
"Fe"
] | 0.014173
| 0.144403
| 0.026155
| 0.025703
| 0.024325
| 0.022864
| -35.193566
| -34.94392
| -34.935898
| -34.955284
| -34.944107
| -34.919025
|
agm003188608
| 4
|
[
"Ni",
"Ni",
"Ni",
"Fe"
] | 0.057387
| 0.079987
| 0.04355
| 0.044616
| 0.053863
| 0.056223
| -25.942998
| -24.864693
| -24.901686
| -24.883236
| -25.550938
| -24.879581
|
agm004118967
| 4
|
[
"Fe",
"Fe",
"Se",
"Se"
] | 0.360915
| 0.515113
| 0.347035
| 0.338433
| 0.333186
| 0.336026
| -23.691606
| -23.359274
| -23.325087
| -23.344444
| -22.840477
| -23.184711
|
oqmd-3720298
| 2
|
[
"Fe",
"Sr"
] | 1.184962
| 1.029358
| 1.115865
| 1.131284
| 1.115195
| 1.092279
| -7.78293
| -7.651051
| -7.646719
| -7.715044
| -7.931745
| -7.705555
|
agm005250845
| 4
|
[
"Rb",
"Rb",
"Rb",
"Ge"
] | 0.310647
| 0.298243
| 0.270103
| 0.283996
| 0.286071
| 0.277214
| -6.778623
| -6.59081
| -6.577854
| -6.603648
| -6.837867
| -6.610049
|
agm004195604
| 4
|
[
"Ti",
"Ti",
"Ti",
"Ge"
] | 0.192148
| 0.13693
| 0.202923
| 0.196527
| 0.177268
| 0.202151
| -29.398901
| -29.05645
| -28.998505
| -28.977098
| -29.528515
| -29.039454
|
agm006183878
| 5
|
[
"H",
"H",
"H",
"H",
"Ir"
] | 0.747196
| 0.654743
| 0.681312
| 0.729253
| 0.712645
| 0.725895
| -18.708287
| -18.817558
| -18.73222
| -18.797628
| -19.222673
| -18.951456
|
agm004467188
| 16
|
[
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb"
] | 0.454516
| 0.363586
| 0.491023
| 0.468986
| 0.463408
| 0.453586
| -49.56097
| -47.928787
| -48.033424
| -48.249641
| -50.920807
| -47.657436
|
agm002493465
| 5
|
[
"H",
"H",
"H",
"Mg",
"Hg"
] | 0.685588
| 0.416873
| 0.647691
| 0.66503
| 0.653812
| 0.654643
| -9.185239
| -9.117186
| -9.064631
| -9.128566
| -10.48449
| -9.100478
|
agm2000126944
| 4
|
[
"H",
"H",
"H",
"Pt"
] | 0.058187
| 0.241883
| 0.029249
| 0.044034
| 0.050045
| 0.041871
| -16.012263
| -16.091928
| -16.075006
| -16.110125
| -15.294018
| -16.105686
|
agm001207282
| 4
|
[
"Ac",
"Gd",
"Gd",
"Lu"
] | 0.058083
| 0.119089
| 0.051162
| 0.047722
| 0.039593
| 0.03945
| -36.589708
| -36.491154
| -36.450165
| -36.495762
| -36.473
| -36.48991
|
agm003164415
| 4
|
[
"Mg",
"Hg",
"Hg",
"Hg"
] | 0.035912
| 0.05611
| 0.044995
| 0.047886
| 0.064242
| 0.024718
| -2.807847
| -2.310024
| -2.324179
| -2.418098
| -2.767826
| -2.333609
|
agm001834667
| 3
|
[
"H",
"Ac",
"Sm"
] | 0.301664
| 0.252815
| 0.291035
| 0.295535
| 0.301234
| 0.291773
| -12.309178
| -12.221596
| -12.196296
| -12.204882
| -12.407083
| -12.181936
|
mp-981382
| 6
|
[
"Mg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0.051647
| 0.061483
| 0.050004
| 0.044576
| 0.043723
| 0.051046
| -3.252468
| -2.68935
| -2.625683
| -2.592373
| -3.252392
| -2.57017
|
agm001180197
| 6
|
[
"Mo",
"Mo",
"Mo",
"Mo",
"Th",
"Pm"
] | 0.160612
| 0.21987
| 0.17479
| 0.172073
| 0.167935
| 0.174792
| -54.608453
| -54.78886
| -54.772736
| -54.773216
| -53.457138
| -54.806091
|
agm004983119
| 20
|
[
"Tb",
"Tb",
"Pm",
"Pm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 0.135115
| 0.105955
| 0.1117
| 0.112021
| 0.123304
| 0.119428
| -90.892162
| -89.739586
| -89.75531
| -89.751465
| -90.911133
| -89.72963
|
oqmd-5647364
| 12
|
[
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Ho",
"Ho",
"Ni",
"Ni"
] | 0.030159
| 0.000025
| 0
| 0.000368
| 0
| 0.000606
| -53.0421
| -52.725773
| -52.70895
| -52.730213
| -53.412498
| -52.757042
|
oqmd-3774975
| 3
|
[
"Mo",
"Pr",
"Pu"
] | 0.742082
| 1.154939
| 0.821381
| 0.695111
| 0.666103
| 0.728177
| -27.7392
| -27.552177
| -27.489182
| -27.436157
| -26.548653
| -27.182529
|
agm004109086
| 4
|
[
"Mo",
"Mo",
"Re",
"Sc"
] | 0.417991
| 0.242969
| 0.425879
| 0.449463
| 0.430903
| 0.442758
| -39.376187
| -39.332855
| -39.270233
| -39.311283
| -39.734413
| -39.332603
|
agm003836802
| 4
|
[
"Hg",
"Hg",
"Se",
"Se"
] | 0.214094
| 0.133321
| 0.201594
| 0.20474
| 0.212034
| 0.209618
| -7.570963
| -7.280147
| -7.3181
| -7.31572
| -7.883216
| -7.329999
|
oqmd-6931008
| 3
|
[
"Ac",
"Hf",
"In"
] | 0.687376
| 0.561833
| 0.675159
| 0.692733
| 0.691146
| 0.693041
| -15.6021
| -15.345743
| -15.354539
| -15.354809
| -16.097937
| -15.407986
|
agm003932981
| 4
|
[
"Cr",
"Zr",
"Zr",
"Cl"
] | 0.546865
| 0.6822
| 0.529593
| 0.534368
| 0.525576
| 0.558943
| -29.022304
| -28.970755
| -28.895178
| -28.836327
| -28.462307
| -28.91399
|
agm001838465
| 3
|
[
"Ac",
"Tm",
"Li"
] | 0.104288
| 0.148427
| 0.10747
| 0.101357
| 0.107989
| 0.103295
| -10.204327
| -10.163441
| -10.15167
| -10.142581
| -10.048532
| -10.105424
|
oqmd-5113900
| 3
|
[
"Ac",
"Lu",
"Np"
] | 1.216098
| 1.197114
| 1.189757
| 1.115012
| 1.064299
| 1.181106
| -17.9523
| -18.090919
| -17.909899
| -17.700134
| -17.929293
| -17.595898
|
oqmd-5542248
| 3
|
[
"Ac",
"Lu",
"Pb"
] | 0.332007
| 0.204672
| 0.306934
| 0.321206
| 0.309512
| 0.327784
| -12.6318
| -12.418501
| -12.400646
| -12.384808
| -12.890721
| -12.380262
|
agm003209768
| 12
|
[
"Hg",
"Hg",
"Hg",
"Hg",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr"
] | 0.075092
| 0.069754
| 0.072837
| 0.07915
| 0.070951
| 0.078776
| -18.327107
| -17.614666
| -17.570225
| -17.568235
| -18.45743
| -17.499596
|
agm003296261
| 4
|
[
"Tb",
"Tb",
"Tb",
"Hg"
] | 0.01304
| 0.036549
| 0.00753
| 0.007345
| 0.015617
| 0.014298
| -15.103304
| -14.801981
| -14.81072
| -14.806546
| -14.999014
| -14.833855
|
agm004406133
| 4
|
[
"Hg",
"Hg",
"Tc",
"Tc"
] | 0.722772
| 0.681889
| 0.72139
| 0.728344
| 0.711734
| 0.728264
| -18.451745
| -18.177942
| -18.150984
| -18.167994
| -18.566442
| -18.235043
|
agm001280526
| 4
|
[
"Hg",
"Ti",
"Ti",
"Ti"
] | 0.065751
| 0.062504
| 0.0631
| 0.057974
| 0.060309
| 0.066034
| -24.130122
| -23.758759
| -23.770939
| -23.764112
| -24.123531
| -23.635609
|
agm001145470
| 4
|
[
"Sc",
"Sc",
"Ac",
"N"
] | 0.958229
| 0.67505
| 0.9277
| 0.948921
| 0.967701
| 0.966369
| -25.19876
| -24.973806
| -25.017942
| -24.943518
| -26.265759
| -25.061016
|
agm003980490
| 4
|
[
"Cl",
"Tl",
"Tl",
"Y"
] | 0.319338
| 0.238788
| 0.301794
| 0.310262
| 0.321514
| 0.333304
| -15.482234
| -15.200976
| -15.222614
| -15.150773
| -15.751012
| -15.25151
|
agm001828527
| 4
|
[
"Zn",
"Hg",
"Hg",
"Hg"
] | 0.08837
| 0.084578
| 0.079679
| 0.083329
| 0.091204
| 0.09346
| -1.836759
| -1.333685
| -1.315926
| -1.301563
| -1.84116
| -1.306948
|
agm001282968
| 4
|
[
"I",
"I",
"I",
"Pd"
] | 0.165233
| 0.112201
| 0.127011
| 0.158932
| 0.227001
| 0.159596
| -9.869385
| -9.946705
| -9.932241
| -9.922741
| -10.09718
| -10.036303
|
agm003856494
| 3
|
[
"Cl",
"Tl",
"Zr"
] | 0.36032
| 0.220247
| 0.366738
| 0.374116
| 0.361306
| 0.36773
| -14.244348
| -14.083944
| -14.056678
| -14.066226
| -14.640564
| -14.054054
|
agm005418918
| 5
|
[
"Tl",
"Ir",
"Ir",
"Ir",
"Ir"
] | 0.482973
| 0.666986
| 0.489586
| 0.469908
| 0.488388
| 0.479628
| -35.395399
| -35.235901
| -35.250523
| -35.209705
| -34.481525
| -35.126549
|
oqmd-5362988
| 4
|
[
"Ir",
"Ir",
"Zr",
"Zr"
] | 0.108925
| 0.059068
| 0.171424
| 0.129168
| 0.147889
| 0.146289
| -37.7737
| -37.77129
| -37.75663
| -37.738312
| -37.875965
| -37.649422
|
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