mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-2224165
-4.707586
-1.113944
-5.722541
other
Mg1V1Cu3S4
9
215
167.6
mp-1180325
-5.208309
-2.925958
-4.30668
other
Mg1Tl1Cu3Se4
9
215
217.46
mp-1181925
-5.247488
-3.151734
-4.158826
other
Ca1Sc1Cu3Se4
9
215
220.25
mp-1179752
-5.069635
-2.940427
-4.152025
other
Rb1Cu3Sn1Se4
9
215
258.21
mp-2226170
-4.532607
-1.245502
-5.734865
other
Mg1Nb1Cu3S4
9
215
174.8
mp-1182275
-5.374726
-2.887777
-4.224687
other
Ba1Cr1Cu3Se4
9
215
235.25
mp-1180276
-5.448073
-2.706499
-4.144009
other
Mg1V1Cu3Se4
9
215
192.94
mp-1178641
-5.391548
-2.729153
-4.319698
other
Zn1Cu3Ni1Se4
9
215
178.83
mp-1180322
-5.471774
-2.805425
-4.260566
other
Mg1Co1Cu3Se4
9
215
188.24
mp-1181881
-5.383905
-2.769791
-4.243686
other
Cd1Co1Cu3Se4
9
215
195.59
mp-1179174
-5.245132
-3.07974
-4.246834
other
Sr1Al1Cu3Se4
9
215
223.78
mp-1179753
-5.096188
-2.973944
-4.107681
other
Rb1Cu3Si1Se4
9
215
241.7
mp-1179750
-5.368252
-2.7476
-4.173304
other
Rb1Co1Cu3Se4
9
215
228.17
mp-1179510
-5.295408
-3.050117
-4.201777
other
Sc1Cd1Cu3Se4
9
215
207.81
mp-1181597
-5.040611
-2.917203
-4.093886
other
Cs1Cu3Ge1Se4
9
215
252.96
mp-555606
12.589059
6.135835
-1.16614
other
Na10Be4Si4O17
35
215
397.07
mp-1179749
-5.067819
-2.899291
-4.102086
other
Rb1Cu3Ge1Se4
9
215
247.21
mp-866640
3.091786
-0.724979
-2.087921
other
Li4Mg4H24Ir4
36
215
295.87
mp-1182182
-5.093611
-3.232481
-4.081328
other
Ba1Sc1Cu3Se4
9
215
250.17
mp-1180688
-5.235131
-2.819538
-4.064676
other
K1Ti1Cu3Se4
9
215
224.75
mp-1179028
-5.002803
-2.967212
-4.293943
other
Tl1Cu3Pb1Se4
9
215
242.12
mp-1181468
-5.256402
-2.704897
-4.326828
other
Cu3Ni1Hg1Se4
9
215
198.16
mp-1181720
-5.370843
-2.74779
-4.344465
other
Cr1Cu3Pb1Se4
9
215
217.6
mp-1181990
-5.289161
-2.872298
-4.268039
other
Cd1In1Cu3Se4
9
215
217.3
mp-1181592
-5.271545
-2.654086
-3.95315
other
Cs1V1Cu3Se4
9
215
246.8
mp-1186075
10.976763
4.002246
-7.408504
other
Na3S1O4F1
9
215
120.61
mp-643071
3.127568
-0.607177
-2.112411
other
Yb4Mg4Fe3H22
33
215
288.66
mp-1179880
-5.177114
-2.855019
-4.20858
other
Na1Cu3Ge1Se4
9
215
214.91
mp-1182880
-5.254381
-2.827718
-4.360094
other
Al1Cu3Hg1Se4
9
215
204.95
mp-1179003
-5.181467
-3.317063
-4.088792
other
Sr1Y1Cu3Se4
9
215
248.33
mp-1179075
-5.164543
-3.22978
-4.142395
other
Sr1Sc1Cu3Se4
9
215
233.19
mp-1179118
-5.244077
-3.021158
-4.236135
other
Sr1Ga1Cu3Se4
9
215
224.74
mp-1180995
-5.218441
-2.833138
-4.39287
other
In1Cu3Hg1Se4
9
215
220.64
mp-1180689
-5.36256
-2.696202
-3.978315
other
K1V1Cu3Se4
9
215
224.42
mp-1179138
-5.346407
-2.959784
-4.239716
other
Sr1Cu3Ni1Se4
9
215
217.14
mp-1182890
-5.22743
-2.895214
-4.323448
other
Al1Cu3Pb1Se4
9
215
220.11
mp-1182878
-5.322431
-2.866847
-4.271101
other
Al1Cd1Cu3Se4
9
215
201.92
mp-1181927
-5.250291
-3.223998
-4.12751
other
Ca1Y1Cu3Se4
9
215
233.48
mp-1179142
-5.382194
-2.933269
-4.210306
other
Sr1Co1Cu3Se4
9
215
217.65
mp-1223822
10.172122
4.458611
-6.639887
other
K3S1O4F1
9
215
163.41
mp-1181331
-5.245081
-2.774772
-4.376553
other
Ga1Cu3Hg1Se4
9
215
209.09
mp-1180844
-5.137465
-2.980963
-4.146159
other
K1Cu3Si1Se4
9
215
230.08
mp-1227624
-4.789643
-1.264757
-5.734459
other
Fe4Cu26Ge4S32
66
215
1,174.3
mp-1180884
-5.155673
-3.008792
-4.109135
other
K1Hf1Cu3Se4
9
215
239.04
mp-1178643
-5.442817
-2.702874
-4.401349
other
Zn1Cr1Cu3Se4
9
215
185.85
mp-1180796
-5.114528
-2.962859
-4.165461
other
K1Cu3Sn1Se4
9
215
247.88
mp-1181874
-5.306945
-2.844896
-4.275688
other
Cd1Ga1Cu3Se4
9
215
205.77
mp-1178697
-5.140987
-3.237445
-4.17887
other
Y1Cu3Pb1Se4
9
215
247.88
mp-1182227
-5.163064
-3.031364
-4.217469
other
Ba1Ga1Cu3Se4
9
215
241.75
mp-1224483
7.616447
7.984237
-3.801641
other
Mo12P1N3O61
77
215
1,321.08
mp-1178806
-5.413479
-2.6407
-4.111995
other
V1Cd1Cu3Se4
9
215
202.47
mp-1181577
-5.151936
-2.826666
-4.014668
other
Cs1Ti1Cu3Se4
9
215
252.46
mp-2225846
-4.603349
-1.408985
-5.625936
other
Mg1Cu3As1S4
9
215
174.91
mp-1182240
-4.931316
-3.089955
-4.241706
other
Ba1Tl1Cu3Se4
9
215
265.86
mp-1182006
-5.446785
-2.858875
-4.328063
other
Ca1Cr1Cu3Se4
9
215
210.07
mp-1180332
-5.389307
-2.930606
-4.272683
other
Mg1Al1Cu3Se4
9
215
193.65
mp-1178702
-5.344367
-3.104859
-4.237472
other
Y1Zn1Cu3Se4
9
215
204.04
mp-1190398
-7.088839
-0.975584
3.553602
other
Mn4V4Ga4Co4
16
215
191.1
mp-1179119
-5.212658
-3.094451
-4.217041
other
Sr1In1Cu3Se4
9
215
240.51
mp-1179021
-5.125524
-2.855197
-4.307357
other
Tl1Cd1Cu3Se4
9
215
224.17
mp-1179525
-5.13504
-3.16641
-4.226498
other
Sc1Cu3Pb1Se4
9
215
231.53
mp-1180842
-5.113184
-2.91992
-4.136924
other
K1Cu3Ge1Se4
9
215
237.78
mp-1178804
-5.363235
-2.546084
-4.188644
other
V1Cu3Hg1Se4
9
215
209.93
mp-1181879
-5.323725
-2.761221
-4.25205
other
Cd1Cu3Ni1Se4
9
215
192.29
mp-1179864
-5.438067
-2.800951
-4.235606
other
Na1Mn1Cu3Se4
9
215
202.21
mp-1178753
-5.432851
-2.667441
-4.159029
other
V1Zn1Cu3Se4
9
215
186.74
mp-1180119
-5.290336
-2.77138
-4.110626
other
Na1Ti1Cu3Se4
9
215
204.8
mp-1182859
-5.393219
-2.813031
-4.332324
other
Al1Zn1Cu3Se4
9
215
186.72
mp-1180674
-5.169749
-2.985675
-4.158827
other
K1Zr1Cu3Se4
9
215
239.48
mp-1180900
-5.049346
-3.072545
-4.179648
other
K1Cu3Pb1Se4
9
215
262.04
mp-1181943
-5.39802
-2.780213
-4.106897
other
Ca1V1Cu3Se4
9
215
210.97
mp-1179888
-5.141254
-3.017417
-4.263579
other
Na1Cu3Pb1Se4
9
215
232.01
mp-1178824
-5.302606
-2.679225
-4.115458
other
V1Cu3Pb1Se4
9
215
220.45
mp-1180832
-5.413502
-2.873574
-4.172341
other
K1Mn1Cu3Se4
9
215
222.52
mp-1179889
-5.417356
-2.740254
-4.240487
other
Na1Co1Cu3Se4
9
215
197.78
mp-1178642
-5.427118
-2.751723
-4.296448
other
Zn1Co1Cu3Se4
9
215
182.06
mp-1181613
-5.284049
-2.760804
-4.260038
other
Cu3Ni1Pb1Se4
9
215
206.74
mp-1181967
-5.391249
-2.900526
-4.303945
other
Ca1Cu3Ni1Se4
9
215
202.72
mp-1182176
-5.16821
-3.083746
-4.232859
other
Ba1Al1Cu3Se4
9
215
238.51
mp-1182239
-5.288244
-2.918788
-4.168687
other
Ba1Cu3Ni1Se4
9
215
232.31
mp-1181558
-5.101473
-3.001784
-4.109966
other
Cs1Zr1Cu3Se4
9
215
268.42
mp-1181975
-5.425929
-2.896295
-4.250775
other
Ca1Co1Cu3Se4
9
215
206.51
mp-1178729
-5.235107
-3.174631
-4.182569
other
Y1Cd1Cu3Se4
9
215
222.41
mp-1181579
-5.313742
-2.827721
-4.166611
other
Cs1Mn1Cu3Se4
9
215
244.59
mp-18939
5.903931
3.420283
-4.720428
other
Li1Co1C4O4
10
215
178.18
mp-1179676
-5.119676
-2.978108
-4.134449
other
Rb1Zr1Cu3Se4
9
215
255.92
mp-1182299
-5.313665
-2.897305
-4.202334
other
Ba1Co1Cu3Se4
9
215
230.42
mp-1181716
-5.357415
-2.606337
-4.447858
other
Cr1Cu3Hg1Se4
9
215
203.95
mp-1180319
-5.366824
-3.057442
-4.18314
other
Mg1Sc1Cu3Se4
9
215
198.88
mp-766402
13.656713
8.270535
-0.937744
other
Li8V4Si12O32
56
212
521.68
mp-774819
7.098179
13.39733
-1.414345
other
Li8Ni12Sb4O32
56
212
584.47
mp-867983
10.507483
13.871325
-0.460117
other
Li8Ti4Cr12O32
56
212
592.21
mp-649608
6.265975
4.949631
-4.603626
other
K12Pr8N36O108
164
212
2,561.54
mp-775164
11.292229
13.200468
0.075108
other
Li8Nb4Cr12O32
56
212
620.72
mp-1177997
6.444917
12.344803
-1.497434
other
Li8Fe12Bi4O32
56
212
655.89
mp-757968
6.987117
13.935027
-1.719689
other
Li8Ti4Co12O32
56
212
539.22
mp-757991
7.153439
14.118873
-1.753931
other
Li8Cr4Co12O32
56
212
526.18
mp-757851
6.351389
13.854822
-1.93617
other
Li8Co12Ni4O32
56
212
520.14
mp-757572
6.914315
14.18376
-1.814512
other
Li8Mn4Co12O32
56
212
535.32
mp-770972
6.238639
12.680932
-1.443582
other
Li8Ni12Bi4O32
56
212
601.38