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-2713742
11.461869
4.041718
-7.954902
other
Ca6Ti6S18O72
102
161
1,560.72
mp-542136
13.273505
5.933327
-6.07379
other
Na6P2S2O6
16
161
247.99
mp-556885
14.440275
5.697402
-2.042053
other
Fe6B14I2O26
48
161
487.95
mp-1043764
9.823212
7.822054
-5.831438
other
Ti2Bi2P6O24
34
161
498.43
mp-1019714
13.31584
5.33098
-6.196824
other
Cs2Ca20P14O56
92
161
1,235.57
mp-2713859
11.721918
4.032071
-8.027282
other
Zr6Zn6S18O72
102
161
1,541
mp-558829
9.018998
5.62621
-6.247699
other
Cs6Yb2S6O24
38
161
770.91
mp-776325
10.110336
5.530352
-4.265503
other
Sc4H12Se6O24
46
161
590.22
mp-1217392
-2.587245
0.659062
-3.942907
other
Tl10Re12S16Cl14
52
161
1,389.29
mp-2713956
13.702127
5.583152
-7.555971
other
Nb6Sn6P18O72
102
161
1,515.06
mp-2713851
14.257256
5.316208
-7.783652
other
Zr6Nb6P18O72
102
161
1,564.43
mp-1043738
12.919405
7.040572
-7.022467
other
Ti2Te2P6O24
34
161
487.08
mp-1178731
13.766438
4.267349
-2.386009
other
Y2B12H6O24
44
161
432.76
mp-1221445
9.244522
7.234612
-3.609674
other
Na6Al6Ge6O32
50
161
783.76
mp-1198646
10.747235
12.228601
-3.662151
other
Cs8Ba2V12O36
58
161
1,193.35
mp-1196343
10.656208
12.263041
-3.675774
other
Rb8Ba2V12O36
58
161
1,133.61
mp-1221239
11.949239
6.975549
-0.39864
other
Na8Al6Ge6O26
46
161
754.3
mp-1197938
13.510326
4.739965
-2.615727
other
Co6B14O26F2
48
161
449.77
mp-1183402
13.834581
4.170103
-2.312641
other
Ba2Li2B18O30
52
161
605.05
mp-697242
8.335888
1.501721
-4.431417
other
H30C12N6O6
54
161
539.42
mp-1200920
7.564309
2.461878
-4.892828
other
Ca6C12N12O12
42
161
472.29
mp-1044323
12.147323
8.101076
-6.571899
other
Ti2Mo2P6O24
34
161
478.42
mp-23578
13.424319
4.747539
-2.543241
other
Co6B14Cl2O26
48
161
455.8
mp-2713932
11.936319
3.85011
-8.113523
other
Ca6Zr6S18O72
102
161
1,684.53
mp-23609
13.670012
4.385821
-2.440447
other
Zn6B14Cl2O26
48
161
457.04
mp-1181439
14.226755
5.15568
-2.185136
other
Fe6B14Br2O26
48
161
470.63
mp-6610
4.253986
2.27878
-3.059941
other
K6Cu2C8N8
24
161
484.41
mp-2713873
11.090817
4.400804
-7.808268
other
Zn6Ge6S18O72
102
161
1,378.78
mp-18495
13.825865
4.145659
-2.335373
other
Sr2Li2B18O30
52
161
600.99
mp-1222565
13.755156
4.243538
-2.430818
other
Li8B14Cl2O24
48
161
467
mp-765193
13.962167
7.390372
-4.836763
other
Li2Sn20P14O56
92
161
1,423.63
mp-1221494
9.610022
7.004632
-3.028745
other
Na6Ga6Si6O32
50
161
736.12
mp-555127
10.787406
12.324071
-3.354542
other
K2Ca20V14O56
92
161
1,340.93
mp-1221369
8.811642
7.335155
-4.077646
other
Na6Ga6Ge6O32
50
161
786.66
mp-2713876
11.837783
4.088045
-8.084308
other
Hf6Zn6S18O72
102
161
1,508.62
mp-1043703
12.849028
6.345798
-7.384969
other
Ti2Sb2P6O24
34
161
470.52
mp-2713972
14.359026
5.384961
-7.760046
other
Zr6Ta6P18O72
102
161
1,558.17
mp-560124
10.682515
12.223972
-3.391841
other
Sr18Yb2V14O56
90
161
1,502.72
mp-1224591
7.264411
5.380608
-4.80111
other
Mg12C6Cl6O42
66
161
1,129.44
mp-2713724
14.513178
5.388628
-7.785499
other
Hf6Ta6P18O72
102
161
1,538.86
mp-1221221
7.969922
7.046588
-4.392667
other
Na6Zn6As6O32
50
161
811.65
mp-1227132
7.579376
6.592194
-3.004747
other
La6Pb6I26O80
118
161
2,060.71
mp-1203528
10.659776
12.276016
-3.731141
other
K8Ba2V12O36
58
161
1,070.47
mp-31931
14.313375
7.642148
-6.983878
other
Li2Mn8P6O24
40
161
546.34
mp-6813
13.344351
5.316342
-6.228602
other
K2Ca20P14O56
92
161
1,220.27
mp-2713912
12.038099
3.924079
-8.147992
other
Ca6Hf6S18O72
102
161
1,651.46
mp-542464
9.968004
5.573782
-4.447852
other
Ga4H12Se6O24
46
161
512.01
mp-1228164
12.907894
6.391926
-0.595458
other
Al6Si6Ag6O24
42
161
785.18
mp-759206
14.238234
7.686281
-6.584733
other
Li2Mn20P14O56
92
161
1,063.99
mp-1178328
9.762446
5.680995
-4.25286
other
Fe4H12Se6O24
46
161
538.77
mp-1180989
8.737715
10.038864
-3.83525
other
La2V6Te2O30
40
161
639.33
mp-2713981
11.916089
3.991608
-8.118067
other
Mg6Zr6S18O72
102
161
1,539.57
mp-1194881
14.319417
5.538004
-2.004901
other
Fe6B14I2O26
48
161
458.39
mp-2713863
11.209469
4.260659
-7.846289
other
Zn6Sn6S18O72
102
161
1,490.03
mp-696457
12.225511
5.187909
-5.343878
other
Sc2P6H12O24
44
161
531.78
mp-728486
12.879789
5.62366
-6.480101
other
Ca18Mg2P14O56
90
161
1,179.2
mp-555472
14.585212
3.975524
-6.899927
other
Na8Zr4Si6O24
42
161
562.93
mp-2714009
11.228317
4.294863
-7.78643
other
Ca6Ge6S18O72
102
161
1,465.23
mp-1302458
11.853065
13.649676
-1.397495
other
Li4Mn2V6O16
28
161
305.19
mp-1043756
13.401936
7.520396
-6.526129
other
Ti2Re2P6O24
34
161
474.01
mp-2714008
13.531547
5.646691
-7.826357
other
Ta6Ge6P18O72
102
161
1,397.2
mp-2713790
11.429791
4.268642
-7.998944
other
Mg6Ge6S18O72
102
161
1,355.5
mp-2713887
13.581985
5.685505
-7.714163
other
Nb6Ge6P18O72
102
161
1,404.55
mp-1047131
9.55625
8.667434
-0.157164
other
Ba1Ca1Bi4O8
14
162
270.58
mp-567650
4.742648
2.24808
-3.305817
other
Mn2Fe1C6N6
15
162
202.86
mp-1044203
12.570793
10.863083
-0.074034
other
Ba1Mg1V4O8
14
162
192.49
mp-2224846
10.220991
9.780127
-0.618337
other
Mg1Hg1Sb2O6
10
162
184.39
mp-570514
4.397836
2.307752
-3.268629
other
Cd2Fe1C6N6
15
162
224.96
mp-1046980
6.891867
9.911708
-1.415328
other
Ba1Ca1Cu4O8
14
162
194.67
mp-1044283
11.166831
11.314503
-0.439529
other
Ba1Mg1Cr4O8
14
162
185.86
mp-568373
4.33729
2.235281
-3.252683
other
Cd2Ru1C6N6
15
162
239.02
mp-1044567
6.871899
11.37209
-0.923081
other
Ba1Ca1Ni4O8
14
162
195.28
mp-1044892
12.63609
9.956141
0.429107
other
Ba1Zn1W4O8
14
162
210.43
mp-1046984
10.682709
9.113617
0.479351
other
Ba1Zn1Sn4O8
14
162
216.6
mp-1044540
12.705488
10.210418
0.183931
other
Ba1Mg1Mo4O8
14
162
206.84
mp-570761
4.771173
2.144505
-3.230064
other
Mn2Os1C6N6
15
162
216.57
mp-568663
4.241388
2.33631
-3.289873
other
Fe1Ag3C6N6
16
162
309.72
mp-1210717
6.972415
6.776038
-3.857013
other
Mg1Cu2Te1O12
16
162
207.99
mp-1046897
11.212067
9.245136
0.230621
other
Ba1Mg1Sb4O8
14
162
233.95
mp-1044463
6.897699
11.762263
-1.150704
other
Ba1Ca1Co4O8
14
162
199.35
mp-1048070
12.597573
9.967712
0.445985
other
Ba1Ca1W4O8
14
162
224.32
mp-570847
4.810451
2.326328
-3.595929
other
Co1H3C6N6
16
162
203.72
mp-1047093
11.056074
9.249014
0.255934
other
Ba1Ca1Sb4O8
14
162
249.91
mp-1044425
8.339108
12.108522
-0.478977
other
Ba1Mg1Fe4O8
14
162
186.59
mp-1046998
7.024652
9.088192
-1.618569
other
Ba1Ca1Ag4O8
14
162
231.9
mp-1044444
12.488248
10.812757
0.049338
other
Ba1Ca1V4O8
14
162
212.22
mp-1044381
8.3706
12.988493
-0.65539
other
Ba1Mn4Zn1O8
14
162
189.26
mp-1044300
8.209101
12.763132
-0.610356
other
Ba1Mg1Mn4O8
14
162
189.29
mp-1212079
4.256872
2.320698
-3.064512
other
In1Ag3C6N6
16
162
402.74
mp-1044491
12.673833
10.229063
0.123893
other
Ba1Zn1Mo4O8
14
162
209.06
mp-1210772
10.220145
3.994934
-4.110151
other
Li2H6Pt1O6
15
162
120.89
mp-1044331
12.577314
10.867661
-0.130257
other
Ba1V4Zn1O8
14
162
193.59
mp-22427
8.479938
11.662422
-0.36572
other
Ba1Sr1Fe4O8
14
162
220.01
mp-568932
4.385669
2.209786
-3.211472
other
Cd2Os1C6N6
15
162
239.4
mp-1044533
6.826684
12.026893
-1.298106
other
Ba1Mg1Co4O8
14
162
179.26
mp-1044490
11.091401
11.294356
-0.42249
other
Ba1Zn1Cr4O8
14
162
186.9
mp-1046916
12.57505
10.436958
1.825943
other
Ba1Mg1Ti4O8
14
162
189.14
mp-1046970
11.176694
9.252649
0.137399
other
Ba1Zn1Sb4O8
14
162
234.43
mp-1044544
8.055258
12.244693
-0.284341
other
Ba1Ca1Mn4O8
14
162
208.35
mp-1046957
10.772525
9.094721
0.603836
other
Ba1Mg1Sn4O8
14
162
215.4