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-774455
12.567054
5.26251
-5.729112
other
Na16P12H12O44
84
60
1,005.82
mp-1213496
8.324179
1.984337
-0.739914
other
K24As24O24F120
192
60
3,355.72
mp-1202599
1.879694
2.879274
-5.138735
other
K24Rh8Cl48O8
88
60
2,437.31
mp-1211020
12.980834
6.474927
-6.877588
other
Li4Ga4P16O48
72
60
979.43
mp-1213009
11.463305
11.120005
-3.825401
other
Dy4Tl4Mo8O32
48
60
787.98
mp-758531
11.58493
7.48996
-7.234324
other
Li4Cu4P4O16
28
60
293.43
mp-757894
12.954009
7.700944
-7.171063
other
Li4Co4P4O16
28
60
299.28
mp-569962
-0.164312
0.545001
-3.379895
other
Rb8Tb40C16Br76
140
60
4,263.84
mp-1212617
11.449109
11.092822
-3.753737
other
Gd4Tl4Mo8O32
48
60
771.46
mp-21778
11.851721
11.120883
-3.213657
other
Li8Fe8Mo12O48
76
60
1,211.03
mp-770557
11.480169
8.21045
-8.248327
other
Mn8P8O28F8
52
60
752.82
mp-645346
4.164098
2.209336
-3.201516
other
K12Cr4C24N24
64
60
1,244.32
mp-26955
14.129701
7.878714
-6.833759
other
Li4V4P16O48
72
60
1,016.71
mp-867999
7.858986
5.700411
-4.977465
other
Rb16Te8S32O60
116
60
2,624.04
mp-561382
9.882413
8.965482
-0.321854
other
Nb4Bi16Br4O32
56
60
938.82
mp-1208393
11.449995
11.123363
-3.824981
other
Tb4Tl4Mo8O32
48
60
762.44
mp-1204495
13.628517
4.937533
-1.789161
other
Tb8Ge4B8O32
52
60
544.8
mp-720286
11.312712
5.818261
-5.146972
other
Fe12P8H24O44
88
60
833.79
mp-1211488
9.957918
10.61029
-3.892026
other
K4Yb4Mo8O32
48
60
778.87
mp-778931
11.72495
5.308784
-3.658683
other
Cr8B24H24O72
128
60
1,563.93
mp-1199538
9.677084
8.143318
-6.518206
other
Mn8Fe4P8O44
64
60
715.63
mp-1210136
11.530141
11.107716
-2.351043
other
Nd4Tl4W8O32
48
60
839.37
mp-753381
14.286595
7.554457
-7.017129
other
Li4Mn4P4O16
28
60
314.62
mp-766121
13.837624
8.617289
-1.10841
other
Li12V12Si12O48
84
60
856.18
mp-779016
10.821901
7.430553
-2.929726
other
Li8Mn8Si8O36
60
60
602.17
mp-505382
9.204556
2.093348
0.534174
other
Na8W4O8F16
36
60
532.74
mp-1203325
13.580502
4.94444
-1.681081
other
Sm8Ge4B8O32
52
60
582.69
mp-25907
13.676775
6.76274
-6.200417
other
Li4Sn4P16O48
72
60
1,098.25
mp-1198647
9.495443
2.773177
-3.897803
other
Sn4H16Cl16O8
44
60
878.99
mp-1200745
11.419921
11.090053
-3.845108
other
Rb4Nd4Mo8O32
48
60
843.62
mp-780568
13.376344
7.697551
-7.380338
other
Li16Fe8P12O48
84
60
964.29
mp-776874
9.919383
11.942794
-3.877859
other
Li8V12Fe8O48
76
60
1,081.26
mp-1200966
6.342113
5.418774
-4.598211
other
Rb4Zr4N12O44
64
60
1,036.18
mp-729051
8.423932
1.796852
-0.679024
other
Li8Ti8N8F48
72
60
1,002.05
mp-778232
10.420184
12.36772
-3.72403
other
Li8V12Cr8O48
76
60
1,048.84
mp-1209254
11.406979
11.02177
-3.873039
other
Rb4Y4Mo8O32
48
60
775.71
mp-1214550
9.828008
4.748322
-5.82601
other
Ba8H8S16O24
56
60
1,100.21
mp-568001
0.991827
2.091505
-5.155125
other
Al8Hg16Sb8Cl32
64
60
1,924.8
mp-775291
8.18691
10.762704
-3.552877
other
Li8Mn8Cr12O48
76
60
1,118.53
mp-770191
10.601007
4.523805
-6.885098
other
Li8V8S12O48
76
60
983.74
mp-1211052
11.960713
11.185269
-2.155757
other
Li8Fe8W12O48
76
60
1,228.44
mp-1211622
11.440254
11.089123
-2.458026
other
K4Sm4W8O32
48
60
812.16
mp-1176688
11.326857
7.807208
-2.307353
other
Li12Fe12Si12O48
84
60
850.69
mp-1208924
-2.190591
-0.212752
-4.73451
other
Ti16S96Cl24O4
140
60
3,933.63
mp-25979
10.804642
7.91875
-7.066576
other
Li4Ni4P16O48
72
60
952.46
mp-6764
3.284279
2.599857
1.498818
other
Ba4Si8N8O8
28
60
383.98
mp-25985
13.085206
7.355917
-7.169009
other
Li4Cr4P16O48
72
60
986.4
mp-23630
9.948966
8.990289
-0.425702
other
Nb4Bi16Cl4O32
56
60
883.36
mp-768755
10.422654
4.308413
-6.954648
other
Li8Sn8S12O48
76
60
1,199.23
mp-1211556
11.379085
11.095458
-3.837098
other
K4Ho4Mo8O32
48
60
766.43
mp-1209393
11.369713
11.073395
-3.859621
other
Rb4Gd4Mo8O32
48
60
816.47
mp-696490
10.471876
4.548099
-5.970517
other
Ca8H8S8O28
52
60
705.34
mp-1209371
11.367416
11.069948
-3.882823
other
Rb4Dy4Mo8O32
48
60
792.69
mp-1182551
12.649259
5.636132
-4.996388
other
Fe12P8H24O44
88
60
848.39
mp-775129
8.080671
10.831311
-3.335299
other
Li8Cr12Fe8O48
76
60
1,049.44
mp-1196275
8.865936
1.317576
-0.690842
other
Ba8Fe8O8F40
64
60
1,049.03
mp-559987
13.135695
6.400953
-7.018684
other
Li4Al4P16O48
72
60
952.69
mp-650674
7.939841
2.202841
-1.335388
other
Te16As16Se64F96
192
60
4,297.69
mp-23602
9.949235
9.046391
-0.40102
other
Ta4Bi16Cl4O32
56
60
875.41
mp-866308
7.404523
0.325769
-4.059399
other
Ca4B8H56N8
76
60
641.18
mp-759360
12.425632
6.796569
-6.697952
other
Li4Bi4P16O48
72
60
1,089.7
mp-1181992
9.619342
6.962547
-6.061257
other
Ca4Zn8P8O40
60
60
851.44
mp-1201952
4.420049
2.122422
-2.880304
other
Li4Yb4C8N16
32
60
425.67
mp-1199528
8.781989
1.172997
-3.982777
other
H72Au4N24Cl4
104
60
1,247.55
mp-560798
-2.48126
-0.655024
-5.236605
other
Ba12Dy8P16S64
100
60
2,587.01
mp-559171
-2.480693
-0.627023
-5.276161
other
Ba12Ho8P16S64
100
60
2,578.79
mp-17290
10.243714
11.151656
-2.645998
other
Li4Sb4W4O24
36
60
430.09
mp-766119
13.200939
8.536868
-1.761506
other
Li8V8Si8O36
60
60
628.11
mp-721328
11.617999
5.472201
-4.487191
other
Ca8As8H24O40
80
60
914.95
mp-558013
8.609881
3.269336
-5.904832
other
Mn4H8C8O16
36
60
438
mp-772400
9.692835
2.540737
0.371471
other
Li8W4O8F16
36
60
422.76
mp-684036
-2.472697
-0.640596
-5.2788
other
Ba12Gd8P16S64
100
60
2,591.22
mp-554363
10.619243
10.849039
3.077354
other
Pr8Ti12Cl8O32
60
60
874.97
mp-8333
8.502677
1.058672
0.927827
other
Rb8Na8Sn8F48
72
60
1,246.74
mp-778578
9.657356
4.9329
-6.796971
other
Li8Co8S12O48
76
60
936.41
mp-1196276
8.833737
7.485662
-4.668405
other
Ca8As8H8O40
64
60
884.26
mp-12540
13.560142
6.217778
-7.043338
other
Zr8Mo4P8O48
68
60
1,117.7
mp-25987
14.21058
7.86189
-5.627342
other
Li4Mo4P16O48
72
60
1,042.57
mp-768093
8.964926
6.11777
-6.504596
other
V4S4O16F12
36
60
627.53
mp-621921
4.226989
2.303887
-3.220719
other
K12Fe4C24N24
64
60
1,175.04
mp-1197250
3.486176
3.401254
-4.042006
other
Ru4N12Cl12O4
32
60
671.05
mp-720295
10.263654
3.40008
-4.321599
other
U4H40N8O28
80
60
789.3
mp-1211601
11.30678
11.118254
-3.902743
other
K4Er4Mo8O32
48
60
760.75
mp-1209392
11.490566
11.068099
-2.432064
other
Rb4Pr4W8O32
48
60
856.96
mp-780190
7.833981
10.546634
-3.567034
other
Li8Cr12Ni8O48
76
60
1,040.61
mp-560934
13.011119
5.603221
-6.366001
other
Na8Zn20P16O64
108
60
1,529.6
mp-19499
11.34912
11.063504
-3.855848
other
K4Y4Mo8O32
48
60
789.99
mp-559560
10.594763
10.906409
3.064711
other
Nd8Ti12Cl8O32
60
60
884.03
mp-1204402
4.852117
2.020705
-2.667984
other
Li4Al4C8N16
32
60
330.23
mp-769636
9.570705
5.19278
-6.767552
other
Li8Cu8S12O48
76
60
943.01
mp-6246
8.678544
3.628357
-6.921293
other
Ca8C4O12F8
32
60
391.81
mp-1273504
6.863767
10.886192
1.319977
other
Sr4La4Co4O16
28
60
380.54
mp-1211580
11.358393
11.084728
-3.851016
other
K4Gd4Mo8O32
48
60
791.12
mp-758712
11.480092
7.821938
-2.396446
other
Li8Cr8Si8O36
60
60
607.55
mp-772109
12.148264
7.173336
-1.149024
other
Li4Si4Bi4O16
28
60
327.4
mp-758821
9.041877
8.073687
-3.322875
other
Li8Fe8Si8O36
60
60
628.65
mp-1211870
8.266692
2.088233
-0.395396
other
Li8Ti8N8F48
72
60
1,144.92
mp-1176690
11.381238
7.66666
-7.344791
other
Li4Mn4P16O48
72
60
1,061.51
mp-757319
14.816308
8.579398
-3.798149
other
Li12V12P12O48
84
60
891.28
mp-1209294
11.40167
11.088968
-3.888146
other
Rb4Sm4Mo8O32
48
60
822.35