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-1029234
-6.131254
2.310557
-5.389684
other
Mo1W3Se2S6
12
156
326.97
mp-1215494
-3.612741
-3.973132
0.76616
other
Yb1Zn1Cu1P2
5
156
91.08
mp-1025754
-8.59376
2.551072
-4.533843
other
Te2Mo2W1Se4
9
156
314.26
mp-1028826
-10.069129
2.500125
-4.139176
other
Te6Mo1W3S2
12
156
407.31
mp-1027352
-8.807971
2.819508
-4.362146
other
Te4Mo3W1S4
12
156
373.88
mp-1028793
-7.840246
3.316625
-5.842135
other
Te2W4Se2S4
12
156
357.25
mp-1029307
-7.267927
3.212729
-5.422702
other
Te2Mo2W2S6
12
156
362.05
mp-1302407
7.329697
11.918177
2.125201
other
Sr1La2Mn3O9
15
156
180.48
mp-1217102
-4.224943
-0.610208
3.098285
other
Ti3Nb1Al2C2
8
156
112.98
mp-772523
11.440829
10.072524
2.706608
other
Ba8Li1Ta7O24
40
156
576.87
mp-1218108
-3.668886
0.097386
-3.177298
other
Ta2Mn1Re2Se8
13
156
276.67
mp-1029026
-6.446171
2.331912
-5.512685
other
Mo1W3Se4S4
12
156
338.07
mp-1025921
-9.997164
2.60732
-4.150555
other
Te4Mo1W2S2
9
156
330.18
mp-1025834
-9.079388
2.733252
-4.830201
other
Te2Mo1W2Se4
9
156
315.05
mp-1029189
-10.047496
2.495906
-4.140399
other
Te6Mo1W3S2
12
156
407.76
mp-1029161
-9.425922
2.67341
-4.035816
other
Te4Mo3W1Se4
12
156
399.55
mp-2228641
11.791485
10.994352
-2.342847
other
Mg1Tl4Mo2O8
15
156
343.7
mp-1026023
-6.022476
2.140764
-4.959841
other
Mo2W1Se2S4
9
156
273.38
mp-1030523
-8.167944
2.350756
-4.422179
other
Te2Mo3W1Se6
12
156
380.44
mp-1027765
-6.950902
2.694117
-4.888817
other
Te2Mo4Se2S4
12
156
366.44
mp-1030465
-6.925652
2.136804
-5.290985
other
Mo1W3Se6S2
12
156
349.84
mp-1029952
-9.959658
2.523511
-4.002882
other
Te6Mo2W2S2
12
156
407.08
mp-1028729
-8.333826
3.108825
-5.577521
other
Te2W4Se4S2
12
156
368.59
mp-1026958
-7.559989
2.528743
-4.572825
other
Te2Mo4Se4S2
12
156
368.08
mp-1028827
-8.904345
2.701427
-4.853488
other
Te2Mo1W3Se6
12
156
381.14
mp-1028998
-6.792532
2.13191
-5.016065
other
Mo2W2Se6S2
12
156
349.45
mp-1080163
-6.158545
2.165293
-4.860135
other
Mo3W1Se4S4
12
156
335.27
mp-1027410
-8.733295
2.665272
-4.081756
other
Te4Mo4Se2S2
12
156
386.58
mp-1030295
-10.119848
2.554222
-4.006162
other
Te6Mo2W2Se2
12
156
420.16
mp-1028730
-9.919646
2.653708
-4.416557
other
Te4Mo1W3Se4
12
156
401.11
mp-2223043
-5.645836
1.488744
-4.597728
other
Mg1Mo3Se2S4
10
156
332.31
mp-1218979
-3.538162
-3.889378
0.86058
original
Sm1Zn1Ag1P2
5
156
100.47
mp-1028848
-8.878668
2.68668
-4.856872
other
Te2Mo1W3Se6
12
156
381.49
mp-1175177
3.40572
23.368467
-1.454278
other
Li7Mn2Co3O12
24
156
221.55
mp-759978
8.520297
12.457321
-1.213863
other
Li1Co7O7F1
16
156
195.7
mp-1027474
-6.780057
2.124375
-5.008444
other
Mo2W2Se6S2
12
156
350.97
mp-1235250
6.304759
11.259056
-0.304145
other
Ba2Li1Ni2O6
11
156
145.66
mp-1228536
6.250354
10.337615
0.367328
other
Ba6Ti3Fe3O18
30
156
408.27
mp-2218580
-5.889009
1.892542
-4.901574
other
Mg1Mo2W2S8
13
156
391.86
mp-1223416
6.356442
9.915338
-1.32542
other
La2Mn1Pb1O9
13
156
165.06
mp-1025917
-6.161703
2.271156
-5.3037
other
Mo1W2Se2S4
9
156
268.67
mp-1025885
-8.628262
2.626546
-4.557778
other
Te2Mo2W1Se4
9
156
315.12
mp-1217049
-5.412347
0.035108
3.238974
other
Ti1Al2Cr3C2
8
156
93.71
mp-1027147
-6.330088
2.292072
-5.174235
other
Mo2W2Se4S4
12
156
338.27
mp-1030410
-8.167637
2.351908
-4.419249
other
Te2Mo3W1Se6
12
156
380.21
mp-1023927
-9.802746
2.665328
-4.204692
other
Te2Mo1W1Se2
6
156
249.29
mp-1030107
-10.113833
2.477261
-4.171662
other
Te6Mo1W3Se2
12
156
420.44
mp-2215831
7.144228
11.244043
0.422975
other
Ba2Mg1Ni2O6
11
156
157.02
mp-1028929
-7.518715
3.423255
-5.76725
other
Te2Mo1W3S6
12
156
345.52
mp-1080188
-8.594755
2.558672
-4.612936
other
Te2Mo2W2Se6
12
156
382.25
mp-1018095
-5.796539
-6.320521
3.553666
other
Ba1Ga1Ge1H1
4
156
87.47
mp-1023955
-6.391885
2.365851
-5.225952
other
Mo1W1Se2S2
6
156
210.82
mp-1233410
7.899101
10.184808
0.642364
other
Ba4Mg1Rh4O12
21
156
312.85
mp-1027293
-6.043187
2.224484
-5.07265
other
Mo2W2Se2S6
12
156
328.44
mp-1025879
-6.515995
2.241831
-4.901316
other
Mo2W1Se4S2
9
156
280.57
mp-1224315
-4.601804
-0.93532
-5.610783
other
In1Ga1Co1S4
7
156
145.43
mp-1028583
-10.129318
2.482318
-4.171367
other
Te6Mo1W3Se2
12
156
420.17
mp-19433
12.88835
11.386329
-0.718213
other
Li1Sc1Mo3O8
13
156
159.64
mp-1221727
1.307131
2.491235
1.821465
other
Mn1Ga1As1N1
4
156
67.95
mp-1025927
-7.600611
2.783745
-4.837809
other
Te2Mo3Se2S2
9
156
300.78
mp-1029235
-9.291467
3.084042
-4.889852
other
Te4Mo1W3S4
12
156
374.44
mp-1225053
-5.254832
-4.272363
0.501725
other
Dy1Zn1Cu1As2
5
156
99.18
mp-1027524
-6.177662
2.20893
-4.887387
other
Mo3W1Se4S4
12
156
337.77
mp-1030736
-9.417617
2.747893
-4.040021
other
Te4Mo3W1Se4
12
156
400.37
mp-2217135
9.979278
12.870976
-0.529395
other
Mg1Fe2Ag2O4
9
156
121.49
mp-1236035
6.622797
10.827867
-0.896143
other
Ba2Li1Ni2O6
11
156
209.92
mp-1028643
-9.952045
2.54083
-4.002962
other
Te6Mo2W2S2
12
156
386.14
mp-624929
-4.030542
-1.399493
-5.863953
other
Cd1In1Ga1S4
7
156
181.22
mp-1028975
-9.210781
3.097685
-4.663993
other
Te4Mo2W2S4
12
156
374.63
mp-1030535
-6.775927
2.130131
-5.020879
other
Mo2W2Se6S2
12
156
346.55
mp-1030334
-9.371608
2.656265
-4.0423
other
Te4Mo3W1Se4
12
156
400.75
mp-1027112
-6.418327
2.305232
-5.481128
other
Mo1W3Se4S4
12
156
338.55
mp-1028843
-10.053394
2.495657
-3.968966
other
Te6Mo2W2Se2
12
156
419.68
mp-1226469
-5.195435
-4.312288
0.503899
other
Ce1Zn1Ag1As2
5
156
112.28
mp-1018093
-5.923738
-6.344085
3.797724
other
Ca1Ga1Ge1H1
4
156
71.68
mp-1029102
-9.819466
2.687656
-4.200203
other
Te4Mo2W2Se4
12
156
400.13
mp-1224639
-6.566404
-4.960864
5.302626
other
Gd1Al1Zn1Ge2
5
156
105.7
mp-1030131
-6.059078
2.24187
-5.07922
other
Mo2W2Se2S6
12
156
326.84
mp-1025637
-8.359321
3.304414
-5.756858
other
Te2W3Se2S2
9
156
301.27
mp-1220972
-3.897159
-1.590905
-5.831104
other
Na1Li1Zn1S2
5
156
93.71
mp-1028708
-10.052335
2.499389
-4.137041
other
Te6Mo1W3S2
12
156
406.64
mp-1025740
-6.704842
2.2432
-5.347917
other
Mo1W2Se4S2
9
156
280.59
mp-1213079
10.283994
4.457957
-6.721596
original
Cs2Rb2S2O8
14
156
284.42
mp-2217133
9.549129
13.858146
-0.516021
other
Mg1Mn2Ag2O4
9
156
123.17
mp-1028467
-6.921681
2.134058
-5.288581
other
Mo1W3Se6S2
12
156
349.84
mp-760276
10.233995
0.548338
1.410763
other
Li5Mn1O1F5
12
156
140.59
mp-1028985
-9.940701
2.523786
-3.97668
other
Te6Mo2W2S2
12
156
406.31
mp-1027127
-6.349568
2.312337
-5.193387
other
Mo2W2Se4S4
12
156
338.08
mp-1027729
-6.597532
2.127324
-4.705178
other
Mo3W1Se6S2
12
156
349.21
mp-1027096
-6.900589
2.129422
-5.288231
other
Mo1W3Se6S2
12
156
350.77
mp-2227416
12.893211
7.988349
-2.727778
other
Mg1Ni1H1O2
5
156
56.04
mp-1027615
-9.192777
3.071418
-4.622935
other
Te4Mo2W2S4
12
156
390.07
mp-1030194
-9.894878
2.525482
-3.785032
other
Te6Mo3W1Se2
12
156
419.56
mp-1029321
-9.841764
2.677684
-4.178557
other
Te4Mo2W2Se4
12
156
400.08
mp-2242070
-9.075813
2.258684
-3.66515
other
Mg1Te4Mo3S2
10
156
378.07
mp-2219034
-8.35903
2.372511
-4.088421
other
Mg1Te4Mo4S4
13
156
417.17
mp-1215501
-4.769243
-2.197878
-5.28194
other
Zn1Cd1Se1S1
4
156
99.76
mp-1030353
-9.940627
2.523781
-3.976745
other
Te6Mo2W2S2
12
156
406.4
mp-684011
-0.175435
2.310048
-2.023559
other
Eu8C4I9N7
28
156
761.39
mp-1026946
-5.850259
1.92086
-4.773923
other
Mo3W1Se2S6
12
156
326.24