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-1209312
14.049007
6.194376
-6.768112
other
Rb2Ti6Si4P12O50
74
163
1,050.51
mp-1209666
-0.736908
0.754384
-3.732711
other
Rb4La2Ta12Br30O6
54
163
1,467.66
mp-1212099
-0.714252
0.751958
-3.737878
other
K4La2Ta12Br30O6
54
163
1,442.07
mp-572512
-0.776547
0.744093
-3.778409
other
Cs4La2Ta12Br30O6
54
163
1,512.75
mp-1197248
5.362714
2.898339
-3.760391
other
Na2B48S12Br48O24
134
163
3,003.67
mp-1208411
14.005668
6.204051
-6.785746
other
Ti6Tl2Si4P12O50
74
163
1,050.34
mp-1209639
1.144433
1.726868
-4.195741
other
Rb2La2Zr12Fe2Cl36
54
163
1,585.88
mp-1213846
-0.726481
0.765657
-3.696684
other
Cs4Ce2Ta12Br30O6
54
163
1,485.97
mp-1198784
1.212277
2.074963
-4.078769
other
Cs4U2Nb12Cl30O6
54
163
1,320.56
mp-669339
1.398607
2.164983
-3.962677
other
Cs4U2Ta12Cl30O6
54
163
1,279.68
mp-541318
14.058111
6.223171
-6.732807
other
Cs2Ti6Si4P12O50
74
163
1,061.63
mp-1209728
-0.692942
0.785543
-3.657389
other
Rb4Ce2Ta12Br30O6
54
163
1,444.88
mp-1213380
1.267953
1.70098
-4.406041
other
Cs2La2Zr12C2Cl36
54
163
1,481.53
mp-555524
4.762422
2.685345
-3.57303
other
Na8Mg2C12S12N12
46
163
933.14
mp-1211717
11.074248
12.060335
-3.239445
other
K2Rb1Tm1V2O8
14
164
241.32
mp-2219005
-9.032122
2.95083
-4.749311
other
Mg1Te4Mo2W2S4
13
164
383.24
mp-572503
8.447197
2.053906
-4.572288
other
Ni2H24C8N8O12
54
164
536.66
mp-560161
10.278644
3.789822
-4.101146
other
Zn1Cu3H6Cl2O6
18
164
200.98
mp-1214445
13.916868
7.94381
-3.324332
other
Ba1Na1Y2P2O8
14
164
208.73
mp-1211725
11.044139
11.981403
-3.1669
other
K2Rb1Nd1V2O8
14
164
261.22
mp-1228263
7.347319
10.578211
1.031302
other
Ba6Mg2Ir2Ru2O18
30
164
425.62
mp-1019558
12.091597
6.600693
0.202864
other
Ba1Sr2Mg1Si2O8
14
164
190.04
mp-1222251
10.024878
9.54983
-0.144112
other
Mg3Te2Pb6W1O18
30
164
395.69
mp-570642
7.856834
1.016019
-4.48826
other
H24W6C8N2Cl18
58
164
939.83
mp-1228797
7.835347
10.465905
1.447666
other
Ba12Mn1Ru5Cl4O24
46
164
912.78
mp-676664
6.724802
8.711625
-1.800255
other
K2Ba4Dy2Bi4O18
30
164
636.39
mp-573324
13.230277
5.627115
-5.932815
other
Cs1K2Ho1P2O8
14
164
229.24
mp-1228276
8.415256
10.48252
1.090166
other
Ba6Ni2Sb2Ru2O18
30
164
436.3
mp-8564
13.252373
5.49961
-6.145536
other
Cs1K2Sc1P2O8
14
164
214.93
mp-1228389
7.597466
10.657439
0.847099
other
Ba6Ni2Ir2Ru2O18
30
164
419.35
mp-1211767
11.05899
12.013472
-3.179453
other
K2Rb1Sm1V2O8
14
164
256.2
mp-1180698
6.579671
4.4768
-4.246062
other
Li1Co1C8N8O12
30
164
424.1
mp-554949
7.776288
10.325683
1.223017
other
Ba6Ru2Pt1Cl2O12
23
164
461.82
mp-1223600
7.270537
8.689286
-1.623694
other
K1Ba2Sm1Bi2O9
15
164
312.58
mp-1229266
7.794734
10.466353
1.362631
other
Ba12Sr1Ca3Ru8O36
60
164
937.81
mp-1211720
11.055807
12.100664
-3.234169
other
K2Rb1Er1V2O8
14
164
243.86
mp-10767
10.112581
7.171289
-5.349855
other
Cs1K2Yb1P2O8
14
164
229.66
mp-19428
11.008373
12.113392
-3.279151
other
K2Rb1Tb1V2O8
14
164
247.35
mp-7257
13.02076
5.700765
-6.110166
other
K3Na1P2O6F2
14
164
221.79
mp-1211699
11.000731
12.111828
-3.24005
other
K2Rb1Lu1V2O8
14
164
239.28
mp-558113
9.372107
10.119218
2.870845
other
Ba6Nb2Ir1Cl2O12
23
164
474.38
mp-1211709
11.071494
12.038887
-3.192444
other
K2Rb1Ho1V2O8
14
164
244.9
mp-1211702
11.061004
12.054637
-3.208682
other
K2Rb1Dy1V2O8
14
164
246.88
mp-1228233
7.447759
10.605346
0.996129
other
Ba6Zn2Ir2Ru2O18
30
164
425.83
mp-1211745
11.07195
12.217913
-3.261326
other
K2Rb1Sc1V2O8
14
164
217.88
mp-1211727
10.144893
11.990458
-3.57786
other
K2Rb1Yb1V2O8
14
164
249.97
mp-569921
7.814161
1.033608
-4.49509
other
Nb6H24C8N2Cl18
58
164
959.33
mp-1211738
11.024237
11.966019
-3.194074
other
K2Rb1La1V2O8
14
164
264.55
mp-556637
10.601703
9.22633
2.27159
other
Ba6Na2Nb2P2O17
29
164
433.71
mp-1228337
9.813465
10.568196
3.404533
other
Ba3La2Ti2Nb2O15
24
164
333.74
mp-1211828
10.683625
12.105705
-3.435547
other
K2Rb1Eu1V2O8
14
164
256.53
mp-1019551
13.360544
5.237157
-6.393507
other
Ba1Na2Mg1P2O8
14
164
177.31
mp-1211736
11.028795
12.027452
-3.24403
other
K2Rb1Pr1V2O8
14
164
261.92
mp-1228242
7.759198
10.417006
1.394784
other
Ba6Y2Ru2Pt2O18
30
164
460.97
mp-1228686
8.804564
12.823019
-1.030585
other
Ba2Fe8Ni3Sb2O22
37
164
453.19
mp-1214419
12.202573
6.571099
0.051414
other
Ba1Ca2Mg1Si2O8
14
164
179.48
mp-1211701
11.021322
12.043613
-3.183182
other
K2Rb1Y1V2O8
14
164
248.27
mp-677094
10.595066
10.896706
2.210936
other
Mg1Ti3Nb2Pb6O18
30
164
391.31
mp-21331
11.022929
12.023965
-3.211243
other
K2Rb1Gd1V2O8
14
164
250.46
mp-1218771
7.095786
10.829217
0.737926
other
Sr2Nd1Cu2Ru1O9
15
164
182.85
mp-1218666
7.782426
10.757871
1.342878
other
Sr4La2Mn3Ir3O18
30
164
385.57
mp-1199757
9.276802
2.766244
-4.307848
other
Mo12H48C16N4O38
118
165
1,450.76
mp-1214803
10.650055
10.231327
3.089839
other
Ba4La6Ti4Nb4O30
48
165
663.05
mp-1199564
7.698133
0.516937
-4.058797
other
Li4Al2B10H76N12
104
165
836.8
mp-1203990
10.056231
2.457974
-3.661526
other
Cr2H40N4O12F10
68
165
577.07
mp-559451
8.741412
3.481613
-7.068309
other
Ba6Ce6C12O36F6
66
165
870.27
mp-561000
8.941386
0.316973
0.952248
other
Cs4K1Li1Fe2F12
20
166
355.04
mp-1189352
10.316908
3.853061
-4.131558
original
Zn1Cu3H6Cl2O6
18
166
196.57
mp-677283
10.114943
9.815718
3.444535
other
Sr8Nd2Nb4Al6O30
50
166
598.66
mp-15073
8.672095
3.581707
-7.048649
other
Ba2Sm2C4O12F2
22
166
285.18
mp-1173209
10.560077
9.069118
2.982215
other
Sr4Nd3Ta2Al5O21
35
166
404.84
mp-24009
10.370234
4.392612
-5.441497
other
K2Cr6H12S4O28
52
166
549.3
mp-1235237
11.511786
8.478698
2.522248
other
Li1Pr2Zn2P2O2
9
166
149.89
mp-743742
9.891734
4.976517
-5.448857
other
Fe6H12Pb1S4O28
51
166
545.98
mp-1228864
7.717316
10.291862
1.59034
other
Ba10Pr5Ir1Ru4O30
50
166
803.04
mp-1180952
6.935252
6.029639
-3.756774
other
K1Fe3H6S2O14
26
166
509.11
mp-684815
9.748056
10.607485
3.401716
other
Ba4La2Ti3Nb2O18
29
166
399.56
mp-541482
8.800378
3.465452
-7.157601
other
Ba2Ce2C4O12F2
22
166
293.82
mp-686330
9.828753
10.410505
3.390634
other
Ba20Mg6Zr2Ta12O60
100
166
1,452.46
mp-1228955
8.438003
0.744448
1.623288
other
Cs4Na2Sc1Ga1F12
20
166
348.33
mp-1228484
9.97771
11.109276
0.758958
other
Ba2La2Ni1W2O12
19
166
263.29
mp-1226101
1.243741
2.35754
-5.978055
other
Cs8Na4Y1Ho3Cl24
40
166
1,295.95
mp-1191931
8.849063
0.794037
1.536331
other
Na3Ca1Mg3Al1F14
22
166
257.74
mp-1192851
9.879007
4.927667
-5.516582
other
K1Fe3H6S2O14
26
166
281.1
mp-1218519
7.935795
11.609913
1.991123
other
Sr3Ti2Mn2Bi1O12
20
166
240.8
mp-563048
7.628739
6.941814
-4.192093
other
K1Fe3H6S2O14
26
166
509.14
mp-1228432
8.871866
10.488927
1.733124
other
Ba8Ta2Ru3Br2O18
33
166
607.54
mp-1218604
5.699396
11.080812
-0.068602
other
Sr3La2Fe4Co1O15
25
166
297.75
mp-2230175
9.544061
10.797698
1.147809
other
Sr4Mg1Re2Ni1O12
20
166
264.11
mp-1218789
6.035347
10.985929
0.397535
other
Sr4La6Fe8Cu2O30
50
166
599.36
mp-1228199
10.842778
11.050488
0.733265
other
Ba4Cr2Mo1W1O12
20
166
274.05
mp-756170
11.186737
10.938406
3.037023
other
Sr3Li1Ta4O12F2
22
166
301.5
mp-557210
10.131129
3.919941
-4.150591
other
Cu6Ni2H12Cl4O12
36
166
385.28
mp-1235849
11.567809
8.314477
2.679619
other
Li1Pr2Zn2P2O2
9
166
152.44
mp-676456
10.227996
9.639443
3.305358
other
Sr6La2Ta3Al5O24
40
166
475.73
mp-863756
13.909521
7.055618
-6.203902
other
K4Mn6P8H8O24
50
166
629.95
mp-686204
6.070974
8.634594
-1.062455
other
K6Ba4Pr4Bi6O30
50
166
876.91
mp-1204896
9.067443
2.148569
-4.28896
other
P2H12C2N6F12
34
166
370.94
mp-603575
7.744173
6.677382
-3.980382
other
K1Fe3H6S2O14
26
166
511
mp-1200820
7.36474
6.594946
-3.79099
other
K6Na2Pt1W6O36
51
166
857.6