property
large_stringclasses 7
values | representation
large_stringclasses 7
values | geometry_contribution
float64 0.01
1.24
⌀ | composition_contribution
float64 -0.53
-0
⌀ | volume
float64 56.8
163k
⌀ | error_geom_0.0
float64 0.01
0.99
| error_geom_0.2
float64 0.01
0.69
| error_geom_0.4
float64 0.01
0.39
| error_geom_0.5
float64 0.01
0.37
| error_geom_0.6
float64 0.01
0.37
| error_geom_0.8
float64 0
0.39
| error_geom_1.0
float64 0
0.5
|
|---|---|---|---|---|---|---|---|---|---|---|---|
perovskites
|
slices
| 0.03588
| -0.020081
| 56.8438
| 0.03352
| 0.023616
| 0.016691
| 0.012649
| 0.009043
| 0.005636
| 0.003187
|
perovskites
|
composition
| 0.543783
| -0.245915
| 56.8438
| 0.447479
| 0.282959
| 0.170794
| 0.11915
| 0.08144
| 0.026448
| 0.003645
|
perovskites
|
crystal_text_llm
| 0.007193
| -0.00965
| 56.8438
| 0.015714
| 0.013171
| 0.010359
| 0.010684
| 0.008401
| 0.009769
| 0.004231
|
perovskites
|
zmatrix
| 0.030183
| -0.012939
| 56.8438
| 0.027105
| 0.017639
| 0.01177
| 0.008777
| 0.005469
| 0.003854
| 0.004068
|
perovskites
|
cif_p1
| 0.006486
| -0.00329
| 56.8438
| 0.013145
| 0.010446
| 0.005092
| 0.007399
| 0.006475
| 0.005455
| 0.006977
|
perovskites
|
atom_sequences_plusplus
| 0.130431
| -0.076767
| 56.8438
| 0.114771
| 0.0794
| 0.051041
| 0.03826
| 0.023512
| 0.01013
| 0.004371
|
phonons
|
slices
| 1.190726
| -0.334845
| 334.14556
| 0.987033
| 0.559539
| 0.288926
| 0.214924
| 0.160069
| 0.07499
| 0.074868
|
phonons
|
composition
| 0.964393
| -0.327895
| 334.14556
| 0.74002
| 0.540728
| 0.324515
| 0.213623
| 0.152889
| 0.084493
| 0.075592
|
phonons
|
crystal_text_llm
| 1.122183
| -0.291764
| 334.14556
| 0.871008
| 0.481774
| 0.313956
| 0.181518
| 0.133074
| 0.069086
| 0.050631
|
phonons
|
zmatrix
| 0.843655
| -0.32412
| 334.14556
| 0.70796
| 0.467559
| 0.257263
| 0.196376
| 0.140755
| 0.066599
| 0.057653
|
phonons
|
cif_p1
| 1.031079
| -0.325872
| 334.14556
| 0.795271
| 0.520846
| 0.323586
| 0.202874
| 0.148964
| 0.067321
| 0.066466
|
phonons
|
atom_sequences_plusplus
| 1.238366
| -0.427197
| 334.14556
| 0.927156
| 0.688744
| 0.334428
| 0.237321
| 0.170681
| 0.069467
| 0.044619
|
gvrh
|
slices
| 0.267042
| -0.133217
| 1,902.472561
| 0.231227
| 0.16599
| 0.091997
| 0.074057
| 0.047292
| 0.027477
| 0.014186
|
gvrh
|
composition
| 0.340004
| -0.156869
| 1,902.472561
| 0.2906
| 0.18201
| 0.12006
| 0.084222
| 0.053113
| 0.021492
| 0.021192
|
gvrh
|
crystal_text_llm
| 0.357419
| -0.101349
| 1,902.472561
| 0.235236
| 0.179266
| 0.122736
| 0.05994
| 0.047568
| 0.020486
| 0.010416
|
gvrh
|
zmatrix
| 0.237638
| -0.11095
| 1,902.472561
| 0.190534
| 0.119868
| 0.099545
| 0.057437
| 0.037384
| 0.015199
| 0.008777
|
gvrh
|
cif_p1
| 0.318532
| -0.142243
| 1,902.472561
| 0.278932
| 0.175769
| 0.072346
| 0.069505
| 0.038584
| 0.016283
| 0.011404
|
gvrh
|
atom_sequences_plusplus
| 0.331897
| -0.117195
| 1,902.472561
| 0.268422
| 0.179763
| 0.094675
| 0.070321
| 0.052885
| 0.033492
| 0.007392
|
dielectric
|
slices
| 1.018229
| -0.455384
| 1,913.226395
| 0.851507
| 0.529697
| 0.293323
| 0.218766
| 0.135215
| 0.044137
| 0.021561
|
dielectric
|
composition
| 1.101107
| -0.489593
| 1,913.226395
| 0.898831
| 0.592775
| 0.358337
| 0.249612
| 0.159063
| 0.060579
| 0.0396
|
dielectric
|
crystal_text_llm
| 1.0577
| -0.419635
| 1,913.226395
| 0.852155
| 0.524419
| 0.299437
| 0.206104
| 0.135597
| 0.042592
| 0.020487
|
dielectric
|
zmatrix
| 0.996336
| -0.440254
| 1,913.226395
| 0.802362
| 0.528164
| 0.296006
| 0.210066
| 0.134084
| 0.040816
| 0.015043
|
dielectric
|
cif_p1
| 1.045504
| -0.457649
| 1,913.226395
| 0.859272
| 0.534096
| 0.306597
| 0.218154
| 0.139294
| 0.041464
| 0.016055
|
dielectric
|
atom_sequences_plusplus
| 1.10169
| -0.533677
| 1,913.226395
| 0.920926
| 0.596561
| 0.33916
| 0.251652
| 0.154351
| 0.052533
| 0.014395
|
form_energy
|
cif_p1
| 0.21804
| -0.103581
| 163,198.302678
| 0.178379
| 0.120991
| 0.064971
| 0.048767
| 0.03179
| 0.009535
| 0.001396
|
form_energy
|
zmatrix
| 0.134748
| -0.04893
| 163,198.302678
| 0.113561
| 0.061956
| 0.033122
| 0.02463
| 0.017046
| 0.00576
| 0.002155
|
form_energy
|
composition
| 0.290742
| -0.142869
| 163,198.302678
| 0.232811
| 0.179333
| 0.086853
| 0.069419
| 0.046281
| 0.014348
| 0.004758
|
form_energy
|
crystal_text_llm
| 0.237299
| -0.096515
| 163,198.302678
| 0.173838
| 0.135732
| 0.076036
| 0.049436
| 0.032199
| 0.012335
| 0.007257
|
form_energy
|
atom_sequences_plusplus
| 0.299501
| -0.130363
| 163,198.302678
| 0.2319
| 0.156257
| 0.097998
| 0.062218
| 0.04017
| 0.012733
| 0.003389
|
form_energy
|
slices
| 0.205732
| -0.081342
| 163,198.302678
| 0.167064
| 0.105522
| 0.061247
| 0.0427
| 0.028578
| 0.011133
| 0.007047
|
bandgap
|
cif_p1
| 0.191033
| -0.101079
| 155,996.463432
| 0.16395
| 0.107294
| 0.064313
| 0.048175
| 0.030447
| 0.010789
| 0.002209
|
bandgap
|
zmatrix
| 0.156169
| -0.055479
| 155,996.463432
| 0.122267
| 0.07727
| 0.043598
| 0.028989
| 0.019286
| 0.00775
| 0.004453
|
bandgap
|
composition
| 0.267773
| -0.137119
| 155,996.463432
| 0.230659
| 0.154489
| 0.085967
| 0.067781
| 0.042997
| 0.014596
| 0.00863
|
bandgap
|
crystal_text_llm
| 0.221783
| -0.084021
| 155,996.463432
| 0.176454
| 0.111053
| 0.06969
| 0.045138
| 0.029383
| 0.01412
| 0.007889
|
bandgap
|
atom_sequences_plusplus
| 0.260451
| -0.111246
| 155,996.463432
| 0.220942
| 0.124922
| 0.077945
| 0.054453
| 0.03522
| 0.011417
| 0.005475
|
bandgap
|
slices
| 0.191918
| -0.068985
| 155,996.463432
| 0.168166
| 0.09227
| 0.054962
| 0.04116
| 0.03062
| 0.014124
| 0.00975
|
jdft2d
|
cogn_rep
| null | null | null | 0.136478
| 0.15554
| 0.207371
| 0.261032
| 0.263749
| 0.341247
| 0.482711
|
dielectric
|
cogn_rep
| null | null | null | 0.540476
| 0.441587
| 0.385319
| 0.369001
| 0.368747
| 0.353634
| 0.442539
|
phonons
|
cogn_rep
| null | null | null | 0.295791
| 0.257645
| 0.235711
| 0.241712
| 0.238278
| 0.272211
| 0.33466
|
bandgap
|
cogn_rep
| null | null | null | 0.122158
| 0.13278
| 0.205301
| 0.248897
| 0.298167
| 0.394447
| 0.501856
|
form_energy
|
cogn_rep
| null | null | null | 0.08928
| 0.134162
| 0.210862
| 0.249434
| 0.293882
| 0.383615
| 0.479833
|
gvrh
|
cogn_rep
| null | null | null | 0.225534
| 0.181099
| 0.184055
| 0.213709
| 0.222058
| 0.264918
| 0.360586
|
perovskites
|
cogn_rep
| null | null | null | 0.076736
| 0.060138
| 0.046017
| 0.038748
| 0.035556
| 0.024486
| 0.018567
|
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