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-771194
12.037273
11.084773
2.073349
other
Nb8Ge8O28
44
4
629.4
mp-778102
8.41387
1.192047
1.902234
other
Ba4Y4F20
28
4
476.86
mp-1292648
12.459435
-1.013784
0.978162
other
Mn6O4F8
18
4
219.24
mp-1220509
-5.923321
-3.676476
-1.627112
other
Nd4Cu2Te8
14
4
420.7
mp-763068
11.498742
1.526144
2.629587
other
Fe8O2F14
24
4
300.54
mp-646283
-3.338227
-1.284294
-5.423601
other
As18Pb14S40
72
4
1,826.13
mp-32529
12.377917
9.251211
-7.219608
other
V6P8O32
46
4
610.34
mp-758898
9.955078
12.75738
0.818322
other
Ti12Co6O32
50
4
599.5
mp-8945
8.614058
1.444202
0.827085
other
Y2Sn2F14
18
4
270.06
mp-768373
-0.157782
0.791482
-3.724522
other
Ba8Y4Br28
40
4
1,445.11
mp-780865
10.452902
0.679782
-0.696086
other
Co6O2F10
18
4
213.59
mp-1209572
8.414392
1.342375
1.451825
other
Pr2Hf2F14
18
4
296.72
mp-753858
8.733201
1.833019
0.430266
other
Ti4O4F8
16
4
266.28
mp-1188375
10.530885
9.023384
2.574067
other
Sr6U2O12
20
4
330.72
mp-1182540
10.606251
10.695843
-3.787851
other
Ba4Mo12O40
56
4
822.29
mp-1200170
8.308588
10.49273
-2.867475
other
Ba10Cr6O26
42
4
775.98
mp-567472
-3.222916
-3.671235
0.416471
other
Cu12P48I12
72
4
1,709.22
mp-1198355
11.607031
5.489588
-2.869898
other
Sr4B22O44
70
4
826.15
mp-756184
7.025983
13.797936
-2.180474
other
Mn2Co2O8
12
4
143.06
mp-626024
9.143601
6.026156
-4.117806
other
H8Se4O16
28
4
371.66
mp-1193189
7.28185
6.657648
-3.389112
other
Nd2I6O20
28
4
483.9
mp-1106173
6.70799
6.763804
-4.138645
other
Cu4N2O12
18
4
222.22
mp-753017
13.211438
0.398408
0.865233
other
Fe6O6F6
18
4
209.57
mp-28435
1.659095
2.583257
-5.367096
other
K4Fe4Cl16
24
4
704.46
mp-676240
10.727584
12.044535
1.205711
other
Ti4Cd2O12
18
4
234.05
mp-625359
12.139135
6.396854
-0.278874
other
Nd2H2O4
8
4
99.89
mp-1399519
7.915184
2.561604
0.973319
other
Bi2O2F2
6
4
93.83
mp-541728
11.164538
7.409841
-2.36508
other
Si8Ag24O28
60
4
870.62
mp-777308
8.466742
14.842698
-1.738743
other
Mn8O14F2
24
4
244.91
mp-772760
10.426566
9.33204
3.813369
other
Dy8Zr8O28
44
4
596.61
mp-1198422
9.130632
9.994498
-3.874042
other
Dy4Mo16O66
86
4
1,401.26
mp-1222225
13.283429
7.802104
-1.402406
other
Mn14Si6O28
48
4
570.54
mp-677454
11.910151
6.821941
-4.375434
other
P12Pb20O50
82
4
1,295.94
mp-1228502
-7.496211
-6.548607
2.457974
other
Al4Si2Ag14
20
4
344.4
mp-758538
13.061744
12.563524
-0.493917
other
Li8V14O24
46
4
452.77
mp-38322
7.65595
6.650519
-3.062341
other
Mg2I4O12
18
4
263.74
mp-1207980
8.538039
1.308593
1.35809
other
Tm2Zr2F14
18
4
265.11
mp-772140
-1.259012
1.901803
-1.590837
other
Ba8La4I28
40
4
1,921.27
mp-585038
8.799598
8.150173
-5.419789
other
Co6P8O32
46
4
552.63
mp-1244500
9.080321
7.94806
-5.743715
other
Co4P8O28
40
4
531.6
mp-1200743
7.373038
7.431678
-4.020877
other
U4Cr4O36
44
4
897.38
mp-31896
8.892715
7.980673
-5.179343
other
Fe6P8O32
46
4
624.25
mp-755257
12.832266
-0.85069
0.412692
other
Mn6O6F6
18
4
204.59
mp-1282563
7.400014
12.207185
-1.391458
other
Na2Co4O6
12
4
158.75
mp-26638
13.641586
8.982011
-5.217048
other
Mo6P8O32
46
4
644.65
mp-1199189
6.146258
5.485613
-4.390844
other
S2N16O26
44
4
831.31
mp-1198500
7.887078
0.593971
-4.040464
other
B4H24N4
32
4
251.09
mp-1212520
8.42096
1.340839
1.331482
other
Gd2Zr2F14
18
4
284.36
mp-1194474
6.529862
6.069722
-3.681882
other
Ba2Cl4O22
28
4
572.4
mp-769021
8.249173
9.700784
-0.119678
other
Na16Cu8O16
40
4
574.38
mp-780402
10.53126
10.640327
3.154838
other
Sc16Ti16O56
88
4
963.99
mp-774082
6.564869
13.982989
-2.008741
other
Li8Co16O32
56
4
524.34
mp-1048799
7.325109
8.853374
-1.631095
other
Y4Cu6O12
22
4
370.58
mp-23535
-0.30382
1.218224
-4.530843
other
K4Zn2Br8
14
4
469.42
mp-732341
7.408744
8.412909
-1.576937
other
Pb14Cl4O16
34
4
801.9
mp-625850
8.892371
3.939651
-4.423274
other
H28N4O24
56
4
545.22
mp-1181339
6.375983
6.07207
-4.542679
other
Gd2N2O10
14
4
198.98
mp-881173
11.535529
1.4855
2.637149
other
Fe8O2F14
24
4
297.07
mp-1222595
12.620521
11.762233
1.552573
other
Li6Ti8O16
30
4
281.18
mp-753599
9.6231
1.856965
-0.092176
other
Li2V2F12
16
4
211.04
mp-647590
-3.246869
-1.20172
-5.362664
other
As20Pb12S40
72
4
1,902.19
mp-1226256
-6.365107
-0.785964
4.111734
other
Cr2Fe2Si4
8
4
92.64
mp-777737
12.112355
1.173876
2.611324
other
Fe10O4F16
30
4
369.07
mp-1178615
7.534992
6.499565
-4.450255
other
Zr2As4O20
26
4
504.6
mp-1207497
8.334502
1.58141
-0.078838
other
Yb2Zr2F14
18
4
295.76
mp-1190618
8.137607
6.416028
-5.266846
other
Rb4S4O16
24
4
429.22
mp-1042155
8.231114
7.807104
-3.506836
other
Zn2Te4O14
20
4
364.57
mp-626716
10.667382
4.285223
-3.833102
other
K2H2O2
6
4
80.48
mp-542117
9.252635
6.943013
-3.520725
other
Cd6Se6O20
32
4
460.9
mp-1194562
12.151106
7.485891
-3.616197
other
K8P8O10
26
4
594.31
mp-5724
13.818269
5.471042
-6.837453
other
Al2P2O8
12
4
183.17
mp-28836
7.845758
2.698036
-2.331479
other
Te8C8F16
32
4
651.72
mp-629088
-4.533245
-3.312979
-3.676166
other
Eu4Ge2Se8
14
4
395.57
mp-1182080
3.369447
-0.6082
-2.515411
other
Ba2Ga2H8
12
4
213.45
mp-1080223
9.105844
13.040499
-1.605459
other
Mn8H8O16
32
4
336.62
mp-626354
7.449485
4.728815
-4.592322
other
H12N8O18
38
4
434.95
mp-27755
1.506957
2.345399
-5.513725
other
K4Al4Cl16
24
4
747.33
mp-850973
13.12868
13.137131
-1.757149
other
V6O10F2
18
4
182.26
mp-27935
1.9619
2.614819
-4.649401
other
Al2I2Cl12
16
4
489.46
mp-1229334
6.79024
6.224413
-3.904768
other
Al4Se6O56
66
4
1,391.15
mp-1211388
8.377896
1.289367
1.483804
other
La2Hf2F14
18
4
304.4
mp-887511
12.079062
1.197168
2.594009
other
Fe10O4F16
30
4
371.18
mp-555336
13.164754
6.092624
-6.515226
other
Sr8P16O48
72
4
1,061.92
mp-1226691
12.753257
5.39986
-3.267228
other
Cu36B24O72
132
4
1,447.34
mp-675879
-1.805008
0.719517
-5.154559
other
Ag6S2I2
10
4
247.32
mp-1207624
8.440301
1.351902
1.319399
other
Y2Zr2F14
18
4
275.02
mp-1277703
5.982392
10.382579
-1.684182
other
Na12Fe4O16
32
4
490.19
mp-626127
8.716972
4.071198
-4.391518
other
H28N4O24
56
4
546.91
mp-704851
11.056973
11.032957
-4.003666
other
Fe16Mo24O96
136
4
2,284.76
mp-625347
7.43785
4.700885
-4.569226
other
H12N8O18
38
4
451.4
mp-770289
10.435922
9.270494
3.797755
other
Ho8Zr8O28
44
4
591.27
mp-542931
13.843045
4.294329
-2.399534
other
Bi4B16O30
50
4
597.46
mp-761037
6.522515
5.978032
-3.654372
other
Hg2Cl4O12
18
4
276.04
mp-1199985
7.398754
8.410565
-1.536026
other
Pb14Cl4O16
34
4
800.47
mp-1209842
8.21551
7.839142
-4.667688
other
Ni2P2O10
14
4
206.7
mp-556527
8.573463
4.248597
-6.700389
other
Rb8C2O8
18
4
349.29
mp-1335004
7.096076
10.110332
-0.489953
other
Y16Cu24O60
100
4
1,439.89
mp-1213837
8.618554
1.479627
1.526436
other
Ce2Hf2F14
18
4
299.72
mp-1204088
8.338342
6.91404
-4.938698
other
Ti4P8O40
52
4
818.87
mp-1180043
11.805852
8.858158
-5.672538
other
P8W8O44
60
4
812.95