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-1200344
-5.904287
1.529576
-4.743559
other
Tl4Mo18S22
44
167
917.28
mp-553922
-5.923131
1.477845
-4.70985
other
K4Mo30S38
72
167
1,476.65
mp-645282
-0.486167
1.141852
-4.405991
other
Al6Bi10Br24
40
167
1,396.24
mp-558489
10.599937
9.912738
3.836134
other
Ca12Hf38O88
138
167
1,709.6
mp-6910
7.125291
8.369367
-0.468439
other
Ba2Pr2O6
10
167
189.81
mp-561550
11.716516
6.806495
-2.624418
other
Ag12B4O12
28
167
382.06
mp-28898
4.454572
1.905863
-2.441423
other
Ba6C6N12
24
167
501.33
mp-1190711
-8.54608
-6.364562
2.484646
other
Sr4Zn6Au12
22
167
470.61
mp-541738
-1.280355
3.089897
-2.934725
other
Cs6Cr4I18
28
167
1,200.52
mp-1247308
4.700859
2.198903
-3.138411
other
Ni4C6N12
22
167
228.32
mp-7027
13.688195
4.802227
-2.54065
other
In2B2O6
10
167
105.35
mp-16625
-8.148251
-5.101284
4.206829
other
Yb2Al14Au6
22
167
404.21
mp-779428
9.493104
8.996552
3.266631
other
Sr8Hf2O12
22
167
353.91
mp-1105760
1.596036
2.412394
0.192236
other
Rb6La2N12
20
167
578.04
mp-29219
-8.35029
-0.021892
2.861383
other
Ba4Ni18B12
34
167
421.55
mp-22711
-8.201651
-5.011155
4.357559
other
Gd2Al14Au6
22
167
393.95
mp-561725
13.627277
4.685478
-2.074187
other
Cs6B6O12
24
167
453.01
mp-1195789
8.150881
7.180896
-2.373233
other
Sr30I12O72
114
167
1,715.13
mp-540659
13.65798
4.323993
-1.9562
other
Ba6B12O24
42
167
602.19
mp-1195471
10.913736
11.718339
3.089103
other
K4Ta8O22
34
167
422.95
mp-861444
14.417751
9.088438
-6.017862
other
V6P6O24
36
167
449.59
mp-1190418
-4.412565
-3.417819
-3.574264
other
Ba8U2Se12
22
167
746.68
mp-2713773
11.877041
3.594208
-7.859872
other
La12S18O72
102
167
1,998.47
mp-1190798
5.039637
2.05496
-3.096268
other
Cr4C6N12
22
167
248.56
mp-989611
0.947087
2.337602
1.871764
other
Y2Re2N6
10
167
118.41
mp-1196062
8.296476
7.349222
-2.66404
other
Ca30I12O72
114
167
1,514.46
mp-1189669
1.597431
2.438573
0.201251
other
Rb6Y2N12
20
167
546.01
mp-3336
10.173779
8.812531
1.956741
other
La2Ga2O6
10
167
121.63
mp-26962
10.749631
9.383666
-7.110515
other
V4P6O24
34
167
442.19
mp-27957
8.82917
9.467988
1.625239
original
Ba6Ni2O8
16
167
307.15
mp-18867
10.582688
10.966108
0.187317
other
Ba6W4O18
28
167
421.44
mp-1199935
-3.096456
0.789751
-3.791009
other
Sr4Re12S22
38
167
764.9
mp-1193676
1.726069
2.517305
0.152206
other
Cs6Sm4N18
28
167
719.44
mp-1203120
6.142991
5.22273
-4.461286
other
Np2N8O22
32
167
485.81
mp-683987
1.79418
1.995949
1.971259
other
Ce30B16N50
96
167
1,285.66
mp-1188875
-5.484334
-2.281359
-2.187271
other
Te12Ir2I6
20
167
795.24
mp-998422
9.306142
0.664872
0.160269
other
Cu2Ag2F6
10
167
121
mp-651409
1.89655
2.623744
-4.58104
other
Hf6Te12Cl72
90
167
3,562.56
mp-16432
13.293456
4.807392
-1.519815
other
Sr6B4O12
22
167
296.96
mp-1192012
2.586306
2.184239
1.540227
other
Gd6B6N12
24
167
275.89
mp-2713752
11.608269
4.362247
-7.861825
other
Al12S18O72
102
167
1,272.27
mp-15011
-2.829257
-0.78935
-5.414588
other
Na6B6S12
24
167
488.76
mp-1202213
-4.414455
-6.390333
1.932802
other
Cs16Ga22Cl2
40
167
1,530.34
mp-29775
7.553035
10.160498
1.174207
other
Sr8Pd2O12
22
167
326.4
mp-23392
1.310999
2.430956
-5.752808
other
K8Cd2Cl12
22
167
631.4
mp-768453
12.271257
3.804443
-8.017695
other
Lu4S6O24
34
167
540.44
mp-566185
-5.700788
1.193393
-4.675529
other
Rb4Mo30S38
72
167
1,604.54
mp-3466
10.651708
8.657433
2.451275
other
Pr2Al2O6
10
167
107.1
mp-4598
8.080996
10.024003
1.255638
other
Sr8Pt2O12
22
167
328.66
mp-1101339
10.808206
8.384985
1.692354
other
Tb2Ga2O6
10
167
113.8
mp-866871
-3.290471
-1.806722
-5.690343
other
Ca8Sn2S12
22
167
502.38
mp-9716
14.146614
7.784958
-1.795506
other
Ti2B2O6
10
167
95.7
mp-559134
-3.122177
-1.457585
-5.327631
other
Eu6As4S16
26
167
672.6
mp-756585
10.505201
11.178158
-0.183306
other
Sr6W4O18
28
167
392.24
mp-759887
6.152743
11.384331
0.156481
other
Sr18Ni14O42
74
167
946.94
mp-1245974
5.033241
2.12308
-2.773005
other
Ga4C6N12
22
167
261.49
mp-1203398
11.092235
11.784576
2.814909
other
Ta8Ag4O22
34
167
413.05
mp-772512
10.71677
8.141708
-7.31738
other
Fe6P6O24
36
167
440.81
mp-11033
-8.166508
-5.045403
4.277568
other
Tb2Al14Au6
22
167
401.57
mp-5899
10.597658
8.665103
2.593649
other
Nd2Al2O6
10
167
105.75
mp-771136
9.035762
6.690995
-3.793156
other
Ho4Se6O24
34
167
642.29
mp-989461
4.96573
2.202814
-3.10276
other
B4C6N12
22
167
322.31
mp-1190733
1.364689
2.729582
-6.014694
other
Cs8Pb2Cl12
22
167
848.91
mp-22930
1.33339
2.572662
-5.862686
other
Rb8Cd2Cl12
22
167
704.31
mp-607712
4.803136
1.996944
-2.626746
other
Lu4C6N12
22
167
329.45
mp-1190683
2.689498
2.75042
-3.873565
other
Cd2Br12N8
22
167
665.1
mp-13619
-5.488732
-3.126511
5.633843
other
Sc2Si14Rh6
22
167
327.71
mp-9812
8.62174
3.916802
-6.827354
other
Zn2C2O6
10
167
93.45
mp-21767
11.988965
6.749778
-1.086018
other
Si12Pb18O42
72
167
1,148.83
mp-27271
11.992338
7.609079
-1.335563
other
Tl16Ge10O28
54
167
1,069.63
mp-1247219
4.956652
2.252843
-3.345939
other
Co4C6N12
22
167
220.32
mp-38220
6.30858
4.975667
-4.462605
other
Rb2N2O6
10
167
182.1
mp-1246752
4.838687
2.165761
-3.124866
other
Rh4C6N12
22
167
254.57
mp-779545
8.741724
9.410527
-0.083192
other
Na6Cu2O4
12
167
179.92
mp-3408
11.212841
8.767036
2.337245
other
Ce2Al2O6
10
167
106.89
mp-779073
10.485087
0.859299
1.607807
other
Li6Mn6F18
30
167
359.99
mp-1190659
-8.647083
-6.204006
2.679618
other
Eu4Al6Au12
22
167
458.47
mp-1078634
7.783596
11.039904
1.482789
other
La2Fe2O6
10
167
115.45
mp-556288
12.154872
11.088024
0.188125
other
Li4Re2O6
12
167
108.11
mp-38035
8.651048
3.558167
-7.083416
other
Sr2C2O6
10
167
148.78
mp-772269
10.707311
8.391464
-7.844583
other
Mn6P6O24
36
167
450.38
mp-998418
8.871249
0.798138
1.003899
other
Mg2Ag2F6
10
167
118.97
mp-16859
-5.279438
-6.893067
3.37197
other
Ba12Ga10N2
24
167
769.66
mp-1191649
-5.540648
-2.913213
5.656048
other
Ca2Si14Ir6
22
167
339.1
mp-1205332
-4.681215
-1.660008
-2.394063
other
Te12Rh2Br6
20
167
648.43
mp-1192829
1.283095
2.365359
-5.956076
other
Cs6Y4Cl18
28
167
915.31
mp-26048
12.91719
8.878309
-5.562403
other
Mo4P6O24
34
167
474.24
mp-5364
8.623626
7.311481
-3.001063
other
Yb2B2O6
10
167
126.12
mp-11034
-8.177792
-5.041284
4.284755
other
Pr2Al14Au6
22
167
410.87
mp-16624
-8.189319
-5.040049
4.34018
other
Er2Al14Au6
22
167
388.88
mp-569684
1.926528
2.637036
-4.640699
other
Zr6Te12Cl72
90
167
3,028.57
mp-19170
6.721588
11.382264
0.882404
other
Pr2Ni2O6
10
167
110.65
mp-778408
7.397621
9.068115
-1.259075
other
Hg2Bi2O6
10
167
154.79
mp-1197677
-7.038182
1.473086
-4.223159
other
Ba4Mo30Se38
72
167
1,662.64
mp-768883
10.388981
4.346248
-7.227236
other
Sn4S6O24
34
167
548.92
mp-733954
7.75842
9.345357
-3.040078
other
Ba6Ru6O30
42
167
701.34
mp-1188957
-4.672766
-1.629581
-2.338191
other
Te12Ir2Br6
20
167
648.46
mp-1029920
4.797286
2.035519
-2.692323
other
Y4C6N12
22
167
366.18
mp-642847
3.14056
-0.643264
-2.134614
other
Li8H12Ru2
22
167
186.27
mp-26316
9.469745
8.059502
-5.902698
other
Cr4P6O24
34
167
455.05