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-1027383
-8.805544
2.821282
-4.350463
other
Te4Mo3W1S4
12
156
387.61
mp-1027070
-7.504383
3.407255
-5.767786
other
Te2Mo1W3S6
12
156
361.92
mp-1030467
-8.804293
2.808995
-4.327029
other
Te4Mo3W1S4
12
156
374.16
mp-1080151
-6.112101
2.289208
-5.377101
other
Mo1W3Se2S6
12
156
324.14
mp-1175196
3.33417
23.256914
-1.505353
other
Li7Mn2Co3O12
24
156
220.03
mp-1025923
-7.503735
3.27681
-5.309633
other
Te2Mo2W1S4
9
156
275.48
mp-1025946
-6.50022
2.190052
-4.88221
other
Mo2W1Se4S2
9
156
281.1
mp-1029073
-8.881573
2.688154
-4.858743
other
Te2Mo1W3Se6
12
156
381.58
mp-1027152
-9.596889
2.431204
-3.817667
other
Te6Mo3W1S2
12
156
406.48
mp-1217957
-6.951911
1.562967
-4.432975
other
Ta2Mo4W4Se20
30
156
657.52
mp-1025732
-10.185433
2.517169
-4.058445
other
Te4Mo1W2Se2
9
156
335.68
mp-1235223
10.507502
9.157699
3.097595
other
Li1Sc2Ag2O4
9
156
125
mp-1028930
-6.443844
2.342953
-5.511316
other
Mo1W3Se4S4
12
156
339.14
mp-753062
10.126493
0.557125
0.988679
other
Li10Ni2O2F10
24
156
265.8
mp-1222744
-3.55127
-3.800506
0.839166
other
La1Zn1Cu1P2
5
156
97.81
mp-1028544
-8.557341
2.480316
-4.59214
other
Te2Mo2W2Se6
12
156
380.36
mp-1028922
-6.894259
2.144258
-5.324351
other
Mo1W3Se6S2
12
156
353.01
mp-2227477
-5.638656
1.503824
-4.581357
other
Mg1Mo3Se2S4
10
156
330.24
mp-1026981
-9.953012
2.528641
-3.99991
other
Te6Mo2W2S2
12
156
406.92
mp-1028607
-10.065427
2.695126
-4.406101
other
Te4Mo1W3Se4
12
156
401.34
mp-1027143
-6.04416
2.224395
-5.068961
other
Mo2W2Se2S6
12
156
327.27
mp-2215794
11.703172
7.894181
-0.607245
other
Mg1Al2Cu2O6
11
156
120.41
mp-1027145
-6.601144
2.080116
-4.681318
other
Mo3W1Se6S2
12
156
351.11
mp-1027139
-6.781945
2.125972
-5.009926
other
Mo2W2Se6S2
12
156
351.08
mp-2226125
-5.860522
1.771159
-4.932802
other
Mg1Mo1W1S4
7
156
254.13
mp-2217160
9.857826
13.019254
-0.622266
other
Mg1Fe2Ag2O4
9
156
117.41
mp-1027634
-7.272391
3.229441
-5.451697
other
Te2Mo2W2S6
12
156
368.08
mp-1027448
-7.579889
2.509581
-4.544215
other
Te2Mo4Se4S2
12
156
368.59
mp-1222253
-5.245159
-4.375622
0.454592
other
Lu1Zn1Cu1As2
5
156
96.4
mp-2217426
7.528551
12.005616
-1.061303
other
Mg1Ni2Ag2O4
9
156
113.37
mp-1025598
-10.177789
2.51316
-4.060575
other
Te4Mo1W2Se2
9
156
336.05
mp-1029069
-6.346196
2.309651
-5.192416
other
Mo2W2Se4S4
12
156
338.18
mp-1027801
-7.550836
2.534834
-4.569142
other
Te2Mo4Se4S2
12
156
349.52
mp-2227067
9.629976
13.855326
-0.475193
other
Mg1Mn2Ag2O4
9
156
122.86
mp-1025870
-6.66492
2.204211
-5.282744
other
Mo1W2Se4S2
9
156
281.03
mp-2223893
8.512246
11.722159
-0.35664
other
Na2Mg1Ni2O4
9
156
113.59
mp-1218125
-3.562062
0.238224
-3.196541
other
Ta2In1Re2Se8
13
156
331.6
mp-1218134
-3.734466
0.044818
-3.189023
other
Ta2Cu1Re2Se8
13
156
277.58
mp-1030158
-10.021468
2.689736
-4.419926
other
Te4Mo1W3Se4
12
156
401.25
mp-1026933
-6.941539
2.68965
-4.896015
other
Te2Mo4Se2S4
12
156
355.91
mp-1222418
-4.89885
-1.064095
-5.538215
other
Na1Fe1Cu1S2
5
156
88.47
mp-1027802
-6.600054
2.092576
-4.671165
other
Mo3W1Se6S2
12
156
349.29
mp-1030195
-9.94491
2.519127
-3.98036
other
Te6Mo2W2S2
12
156
405.59
mp-1217421
-5.30426
-4.226009
0.520094
other
Tb1Zn1Cu1As2
5
156
99.11
mp-1080153
-6.338247
2.305836
-5.182353
other
Mo2W2Se4S4
12
156
335.38
mp-1030519
-6.806287
2.152676
-5.040001
other
Mo2W2Se6S2
12
156
349.46
mp-2217089
7.655644
12.03916
-1.00325
other
Mg1Ni2Ag2O4
9
156
113.32
mp-1080175
-9.377866
2.661305
-4.044268
other
Te4Mo3W1Se4
12
156
400.1
mp-1223718
-5.845986
-3.435426
-2.046733
other
In1Ge2Sb1Te5
9
156
280.84
mp-1215910
-6.619616
-5.176403
5.121895
other
Y1Mg1Al1Ge2
5
156
110.78
mp-1027404
-6.593495
2.068011
-4.671609
other
Mo3W1Se6S2
12
156
347.81
mp-1026002
-7.597391
2.774338
-4.841332
other
Te2Mo3Se2S2
9
156
300.88
mp-2225281
13.71072
9.12289
-1.484924
other
Mg1Fe1H1O2
5
156
62.76
mp-1027646
-5.842596
1.914061
-4.765179
other
Mo3W1Se2S6
12
156
326.73
mp-1027537
-5.850141
1.913522
-4.768031
other
Mo3W1Se2S6
12
156
327.78
mp-1029076
-7.477618
3.378103
-5.746223
other
Te2Mo1W3S6
12
156
345.6
mp-1030153
-9.319353
3.081937
-4.866058
other
Te4Mo1W3S4
12
156
402.77
mp-1217807
-3.928635
-0.168288
-3.076602
other
Ta2Co1Re2Se8
13
156
262.24
mp-1027034
-9.212839
3.096177
-4.659942
other
Te4Mo2W2S4
12
156
374.79
mp-1027436
-8.78884
2.809747
-4.341357
other
Te4Mo3W1S4
12
156
374.97
mp-1027594
-6.045108
2.225095
-5.068415
other
Mo2W2Se2S6
12
156
327.21
mp-1219712
-5.278884
-4.579688
0.374964
other
Pr1Zn1Ag1As2
5
156
114.47
mp-2229714
7.383949
12.833984
-1.458005
other
Mg1Co4Ag4O8
17
156
217.56
mp-1030235
-10.107886
2.556077
-4.008055
other
Te6Mo2W2Se2
12
156
420.43
mp-1029236
-10.118581
2.553751
-4.008077
other
Te6Mo2W2Se2
12
156
420.4
mp-2223878
-6.023555
2.094653
-5.097668
other
Mg1Mo1W2S6
10
156
323.98
mp-1027292
-6.069554
2.267425
-5.092623
other
Mo2W2Se2S6
12
156
326.32
mp-558828
13.939569
5.243861
-3.572067
other
K3Nb3B2O12
20
157
270.23
mp-557740
9.223753
14.597321
-0.551565
other
Mn39Si6Sb3O72
120
157
1,351.37
mp-1180996
13.400971
6.171421
-5.981053
other
Mg12P6H6O30
54
157
540.24
mp-1210311
1.838919
2.41279
-4.663806
other
Na2Zn1H3Cl4
10
157
272.62
mp-707398
13.333632
6.197642
-5.94504
other
Mg12P6H6O30
54
157
576.71
mp-1105877
12.009758
5.563626
-3.469111
other
Si2Ni3H4O9
18
157
174.55
mp-1228940
10.212138
10.595268
-1.831739
other
Ba10Re6C1O30
47
157
846.67
mp-1218569
6.032092
8.701529
-0.681726
other
Sr5Zn1Pb3O12
21
157
331.14
mp-23764
12.820093
5.801942
-1.870617
other
Mg3Si2H4O9
18
157
184.34
mp-1219695
11.481426
11.02479
-3.582322
other
Rb8Mn2Mo6O24
40
159
812.32
mp-772333
7.119656
13.266713
-1.409687
other
Li4Ni6Sb2O16
28
159
278.38
mp-740731
10.459958
4.573814
-4.527642
other
Al4H24Se6O30
64
159
777.81
mp-1198460
-4.517292
-3.248925
-3.844956
other
Ba14Ga10Ag2Se30
56
159
1,720.78
mp-16804
13.18632
5.637516
-6.505123
other
Li6Ca6P6O24
42
159
511.74
mp-26611
14.830284
7.861766
-5.587949
other
Li6Fe6P6O24
42
159
460.63
mp-560938
14.087889
8.656829
-4.62968
other
Cs6Mo10P12O50
78
159
1,296.64
mp-6800
10.310784
4.214301
-7.174191
other
K2Li2S2O8
14
159
207.47
mp-1225896
2.773505
2.235466
1.838884
other
Er12Si22N40O2
76
159
870.47
mp-775278
11.802496
13.706362
-1.278164
other
Li4Mn2V6O16
28
159
302.48
mp-18741
7.997996
10.312401
-3.645832
other
Rb2Li2Cr2O8
14
159
225.46
mp-569806
-4.579551
-2.004016
-3.327082
other
K10Na2Ti12Se54
78
159
2,260.42
mp-581922
0.489236
3.370941
-4.708407
other
Cs4Mo12Br12Cl16
44
159
1,456.18
mp-758880
11.415955
7.462319
-7.228341
other
Li6Cu6P6O24
42
159
475.69
mp-1201686
10.605052
10.666764
-3.514226
other
Tl4Mo6Se2O24
36
159
574.72
mp-1195375
9.499483
7.399429
-2.116545
other
Na54Yb18Si36O126
234
159
3,298.89
mp-1196298
9.664028
2.06648
-0.025421
other
V8Pb6O6F38
58
159
872.27
mp-25953
12.878256
7.65809
-7.232555
other
Li6Co6P6O24
42
159
459.35
mp-22245
7.395378
12.150534
-1.035972
other
Ba2Yb2Co8O14
26
159
354.83
mp-860970
14.378488
7.353561
-7.023245
other
Li6Mn6P6O24
42
159
517
mp-765651
14.743497
7.854807
-5.644064
other
Li6Fe6P6O24
42
159
499.93
mp-26881
14.936212
7.920521
-5.491911
other
Li6Cr6P6O24
42
159
479.81
mp-560944
12.942177
5.916921
-6.22071
other
Cs8Ba2P12O36
58
159
1,107.02
mp-582076
0.375542
3.695036
-5.362695
other
Cs4W12Br12Cl16
44
159
1,471.83