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-1195676
9.684865
4.888607
-6.59783
other
Li4Cu4S4O16F4
32
15
366.77
mp-864766
11.242138
3.984525
-7.494578
other
Na2Mg2S2O8F2
16
15
192.24
mp-1201795
14.120076
7.748884
-5.580959
other
Rb2Fe6P6O16F12
42
15
603.42
mp-1211718
7.985052
2.274818
-3.818611
other
K2H8C12O6F10
38
15
470.26
mp-1196122
6.805493
5.133635
-4.724178
other
Co4H8Pb4N12O32
60
15
720.78
mp-1203238
13.739403
4.276432
-2.292812
other
K8Ge4B16H4O38
70
15
875.94
mp-1202068
5.048625
2.894747
-3.737439
other
Pd2C8S8I4N16
38
15
889.07
mp-1204715
11.04945
7.750213
-4.997753
other
K2Fe6As8H4O32
52
15
711.11
mp-776543
8.199779
4.801077
-6.884982
other
Na10Co4As2C8O32
56
15
705.27
mp-1198935
9.988058
9.404805
3.320796
other
K4Na4Sm8Ta4O26
46
15
708.65
mp-1203415
9.412501
1.818405
1.406213
other
Ba4Ca2V4Co2F28
40
15
576.53
mp-1192128
5.072584
3.173101
-3.700093
other
Te2C4S4I4N8
22
15
671.11
mp-706366
9.851315
4.485335
-5.872286
other
K12H12S12N4O46
86
15
1,244.81
mp-1195154
13.343055
4.416993
-2.563742
other
Ba4Ga4B16H12O40
76
15
815.94
mp-1203708
11.538859
11.120669
-3.668134
other
K2Ho4Cu2Mo8O32
48
15
660.14
mp-554726
9.619631
4.984318
-6.670185
other
K4Na4Cu12S12O52
84
15
1,189.35
mp-1202470
9.155695
2.338561
-4.751849
other
U2H32C6N8O22
70
15
667.26
mp-1214736
9.498233
2.019156
1.519637
other
Ba4Ca2V4Fe2F28
40
15
579.01
mp-744767
10.061889
2.919676
-3.186295
other
Mn4Fe4H56O28F20
112
15
1,076.39
mp-14395
12.039196
6.575002
-5.033395
other
Na2Al2As2O8F2
16
15
185.48
mp-559443
12.934126
8.581571
-6.444463
other
Na4Li8Mo8P12O56
88
15
1,132.52
mp-1190896
4.260007
3.103285
-3.770802
other
Te2C4S4Br4N8
22
15
552.15
mp-1212910
11.314918
7.636195
-2.235169
other
Fe2Bi12P4O28F4
50
15
750.26
mp-1237495
12.264839
5.606905
-4.97001
other
K8P8H12W2O28
58
15
1,045.17
mp-1196787
7.947454
0.294616
-4.52023
other
Tc4P8H72C24Br8
116
15
1,513.69
mp-1197564
8.551296
2.514324
-4.741491
other
Np2H56C24N24O36
142
15
1,386.45
mp-1195162
8.800788
3.488948
-5.874774
other
Ba6V4H24C20O56
110
15
1,468.67
mp-776261
9.040545
3.705889
-7.517742
other
Na10Sn4P2C8O32
56
15
744.54
mp-1214724
9.565774
1.987989
1.482233
other
Ba4Ca2Mn2V4F28
40
15
555.82
mp-1250606
9.880308
4.353884
-4.137606
other
Ca4Al2H20Cl2O16
44
15
551.81
mp-554673
12.720827
5.5235
-6.1936
other
K4Zn4B4P8O32
52
15
707.94
mp-1227522
12.675068
6.920371
-0.866918
other
Ca12Al2Cr6Si12O48
80
15
887.64
mp-1178013
10.428882
4.22271
-5.273588
other
Li8Mn4H32S8O48
100
15
1,100.41
mp-698352
8.957053
3.514808
-5.802988
other
Na12Cr4H40C24O68
148
15
1,690.07
mp-1214973
4.455565
2.827755
-3.723358
other
Au2C4S4Br2N8
20
15
480.5
mp-1176329
8.281087
4.981526
-6.911592
other
Na10Ni4P2C8O32
56
15
682.97
mp-582663
9.164083
1.050102
1.048169
other
Ba4Ca2Cr4Cu2F28
40
15
541.36
mp-1197465
6.542556
4.828444
-4.299765
other
U2C8S4N4O20
38
15
853.4
mp-1198963
8.515564
3.314493
-5.85613
other
K10Tb2H16C16O32
76
15
1,065.37
mp-1211614
9.905771
10.650243
-3.883446
other
K2Li2Yb4Mo8O32
48
15
670.43
mp-695891
8.060681
1.516198
-4.392326
other
Cd2H12C2Br6N6
28
15
449.87
mp-1179607
8.346983
2.778239
-1.842221
other
Sb4H8C4O16F24
56
15
803.06
mp-1220973
11.192714
7.794486
-4.243842
other
Na10Fe6Ag4As16O56
92
15
1,293.8
mp-1200535
11.990418
4.793942
-5.072086
other
Al2B4P4H14O26
50
15
548.95
mp-1045870
9.287764
1.004785
1.002827
other
Ba4Mg2Cr4Cu2F28
40
15
534.29
mp-559335
4.712379
2.761649
-3.675791
other
Zn2Ag4C8S8N8
30
15
649.01
mp-1210245
7.791917
9.847833
-3.860701
other
Na2Al2Cr4H4O16
28
15
387.83
mp-24234
9.128169
1.758724
-4.285521
other
Mo2H16S4N4O4
30
15
366.22
mp-694996
10.812944
11.139035
-2.077209
other
Rb2Ni2W2O6F6
18
15
290.24
mp-1214725
9.448486
0.638864
0.744945
other
Ba4Ca2Fe4Co2F28
40
15
570.01
mp-735556
9.549067
3.592816
-5.463219
other
Na4Co2H16C4O20
46
15
447.15
mp-697008
10.003892
2.168065
-3.840999
other
Cu2H24N4O4F8
42
15
347.32
mp-505247
11.511939
7.513343
-4.854306
other
Na2Co6As6H4O24
42
15
483.71
mp-561861
10.362572
12.402614
-3.614298
other
K2Mg4V6Cu4O24
40
15
513.72
mp-1211839
13.648602
6.905316
-0.761797
other
K2Al4Si8H4O24
42
15
497.06
mp-1195983
8.789697
6.918473
-4.533782
other
K4Zn2Cr4H8O20
38
15
493.17
mp-1211713
11.281437
11.126227
-3.872927
other
K2Li2Tb4Mo8O32
48
15
664.03
mp-1198308
9.416947
3.040534
-4.898031
other
V4H24C8S8O30
74
15
782.67
mp-723094
11.492668
3.399196
-3.509236
other
B20H48C8N4O40
120
15
1,266.61
mp-1214777
9.278639
0.990937
1.326786
other
Ba4Mn2Al4Co2F28
40
15
532.46
mp-1210177
12.9038
7.700754
-7.782717
other
Na2Mn6Ag2P6O24
40
15
473.97
mp-1195235
13.409552
4.390661
-2.450617
other
Ba4Al4B16H12O40
76
15
807.27
mp-676991
13.009419
5.96154
-1.118306
other
Na8Al8Si16H16O56
104
15
1,343.76
mp-1196948
10.485209
4.610979
-5.991721
other
Ca2Sb8H12S4O32
58
15
736.47
mp-776311
8.792945
3.911915
-7.458115
other
Na10Cr4P2C8O32
56
15
677.09
mp-1205217
10.499264
8.705679
-3.824756
other
In4Mo4H4Se4O28
44
15
621.48
mp-698413
8.298372
0.7103
-4.554317
other
Cu4H32C8N4Cl12
60
15
778.1
mp-743549
11.482594
4.960305
-5.028662
other
Fe6P16H52N2O72
148
15
1,469.17
mp-707822
8.828363
2.156884
-4.425536
other
H52Os4N24Cl8O18
106
15
1,055.81
mp-581225
11.410269
11.141951
-3.817553
other
K2Li2Nd4Mo8O32
48
15
701.99
mp-758916
11.139979
3.460005
-4.828002
other
Ga4P6H24N6O24
64
15
597.47
mp-735194
9.010612
7.741655
-5.212809
other
V2Zn4P8N6O32
52
15
718.93
mp-1203746
8.202559
2.342623
-1.202916
other
As4S4Xe4N4F40
56
15
942.92
mp-1200249
8.54871
2.494471
-4.685843
other
Zn2H48C12N28O24
114
15
1,132.8
mp-1358843
9.443796
0.564161
0.11141
other
Ba4Mg2Co4Cu2F28
40
15
540.74
mp-1214267
8.066944
2.073697
-4.422594
other
Ca2H32C8N28O8
78
15
845.23
mp-650024
11.134812
10.965873
-3.620787
other
Rb2Li2Bi4Mo8O32
48
15
702.01
mp-581167
9.326351
1.849201
1.384106
other
Ba4Ca2V4Cu2F28
40
15
584.32
mp-1214730
8.911775
1.077108
1.146557
other
Ba4Ca2Ga4Cu2F28
40
15
539.98
mp-698120
11.489769
11.093019
-3.68548
other
K2Gd4Cu2Mo8O32
48
15
678.38
mp-1030390
-7.795237
3.268738
-5.404286
other
Te2Mo2W2Se2S4
12
156
355.49
mp-1028621
-9.773417
2.782326
-4.601863
other
Te4Mo1W3Se2S2
12
156
387.01
mp-1029153
-8.220904
2.961803
-5.102501
other
Te2Mo2W2Se4S2
12
156
367.85
mp-1027138
-8.243307
2.931247
-5.027501
other
Te2Mo2W2Se4S2
12
156
364.59
mp-2224196
-7.346265
3.066012
-5.418752
other
Mg1Te2Mo2W1S4
10
156
339.92
mp-1030450
-9.282923
2.824772
-4.132236
other
Te4Mo3W1Se2S2
12
156
386.23
mp-1080157
-7.920637
3.39288
-5.737899
other
Te2Mo1W3Se2S4
12
156
358.81
mp-2219375
-9.185953
2.933724
-4.64224
other
Mg1Te4Mo2W2S4
13
156
413.64
mp-2218449
11.731039
11.097879
-3.101976
other
Rb1Mg1In1Mo2O8
13
156
253.9
mp-1028416
-8.27714
3.103491
-5.195601
other
Te2Mo2W2Se4S2
12
156
368.12
mp-1028938
-9.773454
2.867914
-4.304261
other
Te4Mo2W2Se2S2
12
156
387.83
mp-2241198
12.094854
11.141957
-2.536419
other
Mg1Al1Tl1Mo2O8
13
156
250.05
mp-1080162
-7.45991
3.09664
-5.11109
other
Te2Mo3W1Se2S4
12
156
356.1
mp-1027175
-7.448003
3.088377
-5.122809
other
Te2Mo3W1Se2S4
12
156
356.24
mp-1027535
-7.803591
3.25302
-5.391587
other
Te2Mo2W2Se2S4
12
156
370.62
mp-2218308
12.063405
11.167372
-2.545459
other
K1Mg1Sc1Mo2O8
13
156
208.09
mp-1173186
9.55734
10.626859
2.771049
other
Sr6La6Ta6Co6O36
60
156
780.78
mp-686370
7.502542
8.60325
0.512554
other
Ba18Tb9Nb3Sn6O54
90
156
1,449.47
mp-1029147
-8.377886
3.096586
-5.407442
other
Te2Mo1W3Se4S2
12
156
367.92
mp-1030154
-9.263858
2.850616
-4.192901
other
Te4Mo3W1Se2S2
12
156
387.12