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-552454
11.542133
10.205171
3.664265
other
Sr2Ta2N2O4
10
140
132.96
mp-1190476
-4.672515
-2.864321
-3.726918
other
Na4Zn2Ge4Se12
22
140
601.74
mp-6468
9.233398
8.53229
2.734448
other
Ba2Nd4Zn2O10
18
140
272.44
mp-16454
-2.697505
-2.546958
-5.668883
other
Ba2Pr4Zn2S10
18
140
435.54
mp-9405
9.241656
6.773039
-3.824152
other
K6Se2O8F2
18
140
325.61
mp-1214817
8.234576
2.305362
-0.886246
other
As2Xe4O2F20
28
140
486.93
mp-1214362
7.558182
6.399925
-3.464763
other
Be2H8S2O8
20
140
202.71
mp-1190412
4.641815
2.218558
-3.082218
other
Rb2Li2C8N12
24
140
403.4
mp-1105388
-6.826782
0.469208
3.355538
other
Mn2Fe8B4P2
16
140
154.45
mp-1105426
-6.768077
0.546563
3.282658
other
Fe8Co2B4P2
16
140
149.85
mp-559308
14.729665
8.055131
-6.381313
other
Li10V2P4O18
34
140
347.77
mp-16533
-2.781891
-2.63029
-5.576383
other
Ba2Nd4Fe2S10
18
140
421.5
mp-1211902
-7.421549
0.60052
4.810307
other
La2Ga8Fe18C2
30
140
404.24
mp-16452
-2.717474
-2.482924
-5.553798
other
Ba2La4Zn2S10
18
140
442.24
mp-16435
9.166282
8.965166
2.841168
other
Ba6Sc8Cu6O24
44
140
612.73
mp-558472
13.260254
4.990166
-2.886958
other
Sr2Cu4B4O12
22
140
283.9
mp-10502
-2.832312
-2.615406
-5.093782
other
Ba2Ce4Mn2S10
18
140
421.71
mp-1147566
9.137334
1.129231
1.362045
other
Sr2Cu2O2F4
10
140
132.01
mp-16124
-2.726223
-2.682251
-5.558559
other
Ba2Pr4Mn2S10
18
140
437.55
mp-1105941
-4.468845
-3.24394
-3.860408
other
Ba6In2Se8Cl2
18
140
582.05
mp-16451
-2.743389
-2.601023
-5.57763
other
Ba2Pr4Co2S10
18
140
425.04
mp-24091
10.004627
2.048821
-3.56592
other
Ga2H8N2F8
20
140
174.9
mp-1105397
-6.912542
0.44311
3.452235
other
Mn2Fe8Si2B4
16
140
157.18
mp-1214879
9.303439
2.950258
1.462738
other
Al2Tl2Fe4F4
12
140
261.42
mp-1232311
8.647332
10.045031
2.335657
other
Ac2Cu2O4F2
10
140
130.42
mp-559270
-4.737575
-6.176109
1.028068
other
Rb2Ba8Sb6O2
18
140
689.72
mp-10912
-2.745991
-2.64001
-5.563326
other
Ba2Pr4Fe2S10
18
140
427.16
mp-6770
-2.727254
-2.618764
-5.447436
other
Ba2La4Mn2S10
18
140
444.03
mp-559446
-2.642643
-0.502929
-5.129589
other
Na2P2Pd2S8
14
140
345.95
mp-557631
8.121299
2.064783
-0.779114
other
Ag2As2Xe4F20
28
140
496.71
mp-22288
-2.885043
-2.531452
-5.018258
other
Ba2Ce4Co2S10
18
140
403.62
mp-15736
10.580601
8.145774
2.079188
other
Sr6Al2O8F2
18
140
263.14
mp-1212040
-7.509679
0.057798
5.542604
other
La12Al8Fe18P2
40
140
774.42
mp-16534
-2.765372
-2.648452
-5.573716
other
Ba2Sm4Fe2S10
18
140
412.42
mp-1202124
-3.17683
-1.725567
-5.584923
other
Ba12Zr2Zn12S28
54
140
1,362.06
mp-557761
-4.747125
-6.183473
1.06564
other
K2Ba8Sb6O2
18
140
675.23
mp-16531
-2.752105
-2.536878
-5.453836
other
Ba2La4Fe2S10
18
140
433.7
mp-1205371
-3.087563
-1.692648
-5.43479
other
Ba6In2S8Cl2
18
140
523.83
mp-16532
-2.889199
-2.53914
-5.021318
other
Ba2Ce4Fe2S10
18
140
408.91
mp-557035
10.267876
4.403119
-6.706247
other
K6S2O8F2
18
140
302.12
mp-6080
-2.785706
-2.589594
-5.590931
other
Ba2Nd4Co2S10
18
140
419.15
mp-1211503
-7.498004
-0.021566
5.519176
other
La12Al8Fe18As2
40
140
793.12
mp-16456
-2.757726
-2.679897
-5.563622
other
Ba2Nd4Mn2S10
18
140
431.88
mp-1190477
4.639453
2.223828
-3.076153
other
K2Li2C8N12
24
140
376.96
mp-6509
10.293852
8.149465
1.592081
other
Sr6Ga2O8F2
18
140
261.35
mp-22423
-2.739867
-2.501163
-5.446177
other
Ba2La4Co2S10
18
140
431.37
mp-23571
-4.981999
-6.289719
1.175001
other
K2Ba8Bi6O2
18
140
709.99
mp-1105487
-6.919436
0.506651
3.380048
other
Fe8Co2Si2B4
16
140
154.25
mp-695892
8.142144
2.237712
-1.130927
other
K2H2I4F24
32
140
527.44
mp-554766
8.252422
2.053625
-0.752929
other
Ag2P2Xe4F20
28
140
481.68
mp-16455
-2.735403
-2.522539
-5.670781
other
Ba2Nd4Zn2S10
18
140
429.77
mp-6793
9.172894
8.633368
2.646204
other
Ba2La4Zn2O10
18
140
283.02
mp-679985
8.855965
9.342912
1.185372
other
Ba6In8Cu6O24
44
140
656.25
mp-1097048
9.246273
10.222707
1.661549
other
La2Cu2O4F2
10
140
125.15
mp-1212211
6.961522
5.306365
-4.335027
other
K2P8C8O16
34
141
966.81
mp-16591
11.78212
8.233514
1.713303
other
Tm16Si8S12O28
64
141
911.21
mp-23583
1.501591
2.669158
-5.850219
other
Cs8Bi2Sb2Cl24
36
141
1,280.65
mp-1278519
8.318613
11.285296
2.331182
other
Ba8Mn4Nb4O24
40
141
558.09
mp-1213838
8.50415
7.455855
-4.76969
other
Ce2P4N4O18
28
141
443.81
mp-559539
12.314771
7.187575
-5.097997
other
Li4U6P4O30
44
141
638.97
mp-568135
1.100752
1.648675
-4.795963
other
Cs8Sc12C2Cl26
48
141
1,269.3
mp-505186
-1.142434
1.820516
-1.811162
other
Cs8Pr12C4I26
50
141
2,159.93
mp-558786
10.718816
7.815613
-3.20545
other
Ag12Ge2S2O16
32
141
470.24
mp-1020598
11.725609
8.121355
1.617111
other
Y16Si8S12O28
64
141
950.94
mp-650007
1.547306
2.620458
-5.795428
other
Cs8Tl2Sb2Cl24
36
141
1,169.79
mp-6757
11.715354
8.205792
1.615182
other
Ho16Si8S12O28
64
141
932.57
mp-1203156
9.608503
8.655207
0.669323
other
Y8Cd8Bi8O32
56
141
989.94
mp-16590
11.728768
8.135857
1.553848
other
Tb16Si8S12O28
64
141
953.9
mp-542296
8.749431
0.334025
0.711707
other
Cs8Mn4Pd2F24
38
141
754.18
mp-559745
8.647697
8.15371
-1.433993
other
Si2Ag16S4O8
30
141
545.24
mp-1196181
6.131997
3.212154
-4.183884
other
Al8C64Br8O40
120
141
2,437.97
mp-1209607
1.758768
1.78302
1.331313
other
Sr8Li8Cu8N8
32
141
508.67
mp-14835
11.626956
8.127559
1.791154
other
Nd16Si8S12O28
64
141
1,030.39
mp-1192509
11.541109
7.311387
-3.704267
other
Cs4Th2As4O16
26
141
520.19
mp-1214415
12.141465
6.767531
-5.083691
other
Ca4P8Pd2O16
30
141
578.23
mp-15509
9.137124
7.862997
-1.77363
other
Yb16Si8S12O28
64
141
998.52
mp-1192958
8.827245
7.420324
-4.905435
other
Ce2P4N4O16
26
141
441.78
mp-6671
11.590015
8.085086
1.591771
other
Sm16Si8S12O28
64
141
997.34
mp-6316
11.765956
8.255745
1.744115
other
Er16Si8S12O28
64
141
922.88
mp-554685
10.572739
10.399431
-3.65839
other
Li4U6V4O30
44
141
692.9
mp-15016
11.832118
8.319149
1.50519
other
Nd16Si8Se12O28
64
141
1,081.49
mp-1203525
5.582717
3.234202
-4.522707
other
Co8Bi8C24O24
64
141
1,180.55
mp-558965
11.972422
8.297619
1.604943
other
Gd16Si8Se12O28
64
141
1,026.88
mp-770950
9.149935
9.412047
2.769186
other
Li4La16Mn4O32
56
141
758.74
mp-560528
13.292682
5.382473
-6.402322
other
K4Ce2P4O16
26
141
412.29
mp-14912
11.830474
8.307437
1.756916
other
La16Si8Se12O28
64
141
1,130.12
mp-16159
11.588667
8.133945
1.749481
other
Pr16Si8S12O28
64
141
1,050.69
mp-14836
11.811126
8.295052
1.58969
other
Pr16Si8Se12O28
64
141
1,102.12
mp-14837
11.835008
8.294492
1.604753
other
Sm16Si8Se12O28
64
141
1,047.84
mp-1201873
6.399809
5.713794
-3.245974
other
Sr2Pb4I12O14
32
141
868.68
mp-1204595
11.677158
7.975586
1.572461
other
Gd16Si8S12O28
64
141
975.86
mp-753934
8.053068
9.913537
2.192154
other
Li4La16Co4O32
56
141
739.9
mp-1200173
9.061642
9.700153
-3.049402
other
Cr2Si2Ag12O16
32
141
462.77
mp-555015
10.904687
7.633451
-3.075202
other
Si2Ag12S2O16
32
141
455.48
mp-561726
11.727848
8.558188
1.920062
other
Ce16Si8S12O28
64
141
1,040.21
mp-562220
5.715225
3.29976
-4.607508
other
Co8Sb8C24O24
64
141
1,245.55
mp-1188087
7.691272
7.040672
-4.478076
other
Pt2S2N8O8
20
141
368.38
mp-16587
11.695466
8.109683
1.617543
other
Dy16Si8S12O28
64
141
942.93
mp-559638
8.642001
1.202003
1.474135
other
K12Np4O8F20
44
141
801.31
mp-1208182
6.957911
2.435145
-4.360679
other
Tl4H8N4Cl8
24
141
477.67