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-12491
-5.965715
-3.758911
-1.850135
other
Cs2La2Cd2Te6
12
63
492.87
mp-1226537
10.731421
8.408563
-1.704961
other
Cs6Ge4Sb6O26
42
63
805.91
mp-1205527
-6.586469
-1.141529
4.090089
other
Y2Si2Os4C2
10
63
154.4
mp-13351
-4.370517
-3.525364
-3.400667
other
Rb2U2Ag2Se6
12
63
360.27
mp-1205712
-6.265687
-0.599282
4.260159
other
Y2Si2Ru4C2
10
63
151.97
mp-1190183
10.577991
11.403187
3.144376
other
Li4Ca2Ta4O14
24
63
273.33
mp-1191145
11.50612
10.289197
2.66602
other
Rb4La2Nb4O14
24
63
378.28
mp-866649
5.435365
-0.489764
-2.998925
other
Na2Sc2B8H32
44
63
424.39
mp-11602
-2.905047
-2.50845
-5.793091
other
K2Y4Cu2S8
16
63
368.92
mp-26093
12.355829
7.374506
-7.386109
other
Li4Ni4P4O16
28
63
276.89
mp-1218146
6.933861
10.971715
1.373119
other
Sr2Nd2Co2O8
14
63
183.05
mp-1180604
5.039921
3.041461
-3.603262
other
Mo2P8C26O4
40
63
1,489.61
mp-17344
-3.662024
-2.085224
-5.746511
other
Rb2Er4Cu6S10
22
63
449.65
mp-15553
-2.816488
-2.576331
-5.729436
other
K2Gd4Cu2S8
16
63
377.51
mp-11124
-4.841667
-3.277532
-3.670005
other
Cs2La2Hg2Se6
12
63
412.13
mp-758471
9.896859
8.200431
-3.045755
other
Li4Co4Si4O16
28
63
279.01
mp-542482
-4.658119
-3.764277
-3.94929
other
Cs2Er4Cu6Se10
22
63
522.89
mp-9107
-3.954306
-1.056367
-5.502153
other
Na2Zr2Cu2S6
12
63
238.6
mp-1206116
-6.942365
0.403273
4.703782
other
Y2Fe4Si2C2
10
63
131.87
mp-9317
-3.753069
-1.225707
-5.47216
other
K2Zr2Cu2S6
12
63
259.68
mp-23111
10.917484
11.801034
-2.773959
other
Mg4V2Bi2O12
20
63
279.08
mp-19449
10.912475
12.169688
-3.413961
other
Na2V2Cd2O8
14
63
187.34
mp-1103664
-3.340106
-1.976295
-5.562447
other
Ba2Sc2Cu2S6
12
63
259.39
mp-1078491
-6.721632
0.509331
3.885522
other
La2Fe4As2N2
10
63
149.53
mp-1192367
-4.648374
-3.75272
-3.970216
other
Cs2Ho4Cu6Se10
22
63
529.13
mp-761401
14.834537
7.991701
-5.775262
other
Li2Cr2P2O8
14
63
149.47
mp-1281647
7.227602
11.617154
2.13579
other
Ba4La2Mn4O14
24
63
335.62
mp-16116
-4.369088
-4.089297
-3.834937
other
Rb2Sm4Cu2Se8
16
63
447.01
mp-6070
6.15146
4.282119
-4.124339
other
Ag2C2N2O2
8
63
145.48
mp-16560
-4.390743
-4.100746
-3.831149
other
K2Er4Cu2Se8
16
63
409.1
mp-753578
7.141132
10.700714
1.829265
other
Sr2La6Mn2O16
26
63
372.35
mp-561134
-1.276351
2.592295
-3.168365
other
Sn4Sb2S4I6
16
63
504.74
mp-553883
10.033405
10.560079
1.010481
other
Ba6W2Cl4O10
22
63
486.33
mp-1218183
8.061604
11.185017
2.34552
other
Sr2La2Mn2O8
14
63
194.66
mp-865203
-3.521831
-1.947287
-5.897513
other
Y2Cu2Pb2S6
12
63
263.6
mp-9503
-5.913415
-3.698818
-1.816072
other
Ba2Dy2Cu2Te6
12
63
380.68
mp-1213650
-4.64854
-3.650276
-3.640454
other
Cs2Er2Mn2Se6
12
63
376.64
mp-12365
-3.396287
-2.060191
-5.398456
other
K2Th2Cu2S6
12
63
305.89
mp-11122
-4.818578
-3.414342
-3.658664
other
Cs2Dy2Cd2Se6
12
63
395.18
mp-1209419
8.482996
9.932188
-3.767374
other
Rb4Mo2O8F4
18
63
326.92
mp-1197030
9.988604
10.679926
3.409841
other
Ba2Sm4Ti6O20
32
63
427.07
mp-1205519
-6.560373
-1.126216
4.026057
other
Ho2Si2Os4C2
10
63
152.78
mp-867155
-5.266484
-6.000888
0.724253
other
Sr10Cd4Sb10F2
26
63
802.97
mp-542164
-4.531401
-3.733197
-3.866059
other
Cs2Tb4Ag6Se10
22
63
597.92
mp-560480
8.753885
1.230371
1.251623
other
Na10Zr4Mn2F30
46
63
638.19
mp-11118
-4.659973
-3.579147
-3.699881
other
Cs2Pr2Cd2Se6
12
63
419.64
mp-9397
-4.704253
-3.075815
-3.905032
other
Hf2Tl2Cu2Se6
12
63
291.42
mp-582421
-4.397218
-3.507793
-3.345924
other
K2U2Cu2Se6
12
63
324.2
mp-764786
10.367041
11.861615
0.33799
other
Li16Mn4O8F8
36
63
393.44
mp-1213950
11.467623
7.219487
-3.635115
other
Ca2Ag2As2O8
14
63
202.66
mp-1297871
7.400288
11.93396
2.045957
other
Ca4La2Mn4O14
24
63
293.68
mp-1228094
8.168465
12.935784
-0.90415
other
Ba2Fe8Sn4O22
36
63
437.26
mp-20157
-4.622884
-3.611373
-3.891032
other
Ba2Gd2Cu2Se6
12
63
320.79
mp-861926
-4.39733
-4.01119
-3.881896
other
K2Gd4Cu2Se8
16
63
429.47
mp-1102595
-3.330901
-1.789261
-5.118033
other
Cs2Np2Ag2S6
12
63
340.14
mp-26127
14.817673
8.572889
-3.791909
other
Li4V4P4O16
28
63
295.67
mp-568668
-6.936646
0.407051
4.707921
other
Dy2Fe4Si2C2
10
63
131.53
mp-1197756
5.385876
-0.420899
-3.007579
other
K2Y2B8H32
44
63
573.37
mp-556405
5.134428
1.852292
-2.20881
other
La2C2N4F2
10
63
134.55
mp-13189
-3.291768
-2.181246
-5.691873
other
Sr2Lu2Cu2S6
12
63
254.87
mp-569748
-6.903956
0.212668
4.822301
other
Th2Fe4Si2C2
10
63
141.39
mp-865972
-4.69721
-3.676009
-4.020546
other
K2Tm4Cu6Se10
22
63
486.16
mp-1205505
-6.395307
-0.606409
4.169405
other
Er2Si2Ru4C2
10
63
150.42
mp-758750
11.219699
7.588394
-7.225712
other
Li2Cu2P2O8
14
63
144.7
mp-510662
-4.441877
-3.464588
-3.362961
other
Cs2U2Ag2Se6
12
63
376.26
mp-1105758
8.648226
1.194103
0.759885
other
Al2Tl4O2F10
18
63
299.37
mp-7155
-4.650521
-3.671763
-3.693984
other
Cs2Er2Zn2Se6
12
63
370.98
mp-7212
-4.894473
-3.244956
-3.660185
other
Cs2Sm2Hg2Se6
12
63
405.64
mp-16118
-4.408806
-4.024928
-3.85087
other
Rb2Dy4Cu2Se8
16
63
428.09
mp-1218280
6.968633
11.044044
1.380925
other
Sr2Gd2Co2O8
14
63
174.09
mp-557665
8.708245
1.804615
1.350372
other
K6Sn10Cl6F20
42
63
847.39
mp-551243
9.170695
8.178174
-0.428662
other
Ba2Bi2I2O4
10
63
265.77
mp-12496
-5.947931
-3.670873
-1.949528
other
Cs2Tm2Cd2Te6
12
63
463.62
mp-1080729
-5.604065
-0.495815
2.468305
original
Ce2P2Ru4C2
10
63
152.38
mp-505713
-4.627453
-3.639893
-3.732608
other
Cs2Tm2Zn2Se6
12
63
367.54
mp-1218010
7.009401
11.020048
1.306045
other
Sr2Nd2Ni2O8
14
63
181.85
mp-1206564
-4.991302
-1.036293
3.740566
other
Sm2Re4Si2C2
10
63
160.22
mp-1207145
-6.740944
-0.753713
3.797382
other
Sm2P2Os4C2
10
63
153.46
mp-1210085
11.78886
7.028821
-3.889544
other
Na2Ca2As2O8
14
63
199.79
mp-1218178
6.965024
11.00807
1.351058
other
Sr2La2Ni2O8
14
63
186.92
mp-1213115
-4.719147
-3.483925
-3.744865
other
Cs2Yb2Mn2Se6
12
63
390.36
mp-1198247
5.45012
-0.421545
-3.030962
other
K2Yb2B8H32
44
63
599.66
mp-687227
10.096563
9.261353
-0.574565
other
Mn2Sb4Pb10O22
38
63
600.86
mp-7050
-4.753897
-2.963562
-3.938182
other
Zr2Tl2Cu2Se6
12
63
289.75
mp-1206001
-5.937524
0.046028
4.3058
other
Y2Mn4Si2C2
10
63
137.67
mp-1206114
-4.960661
-1.108282
3.677646
other
Th2Re4Si2C2
10
63
164.35
mp-561312
8.738179
1.154625
0.959999
other
K4Hf4Cu4F28
40
63
522.95
mp-12342
-5.91463
-3.704482
-1.87108
other
Cs2Nd2Zn2Te6
12
63
472.65
mp-1206956
-4.964358
-1.029567
3.664513
other
Pr2Re4Si2C2
10
63
163.67
mp-1206141
-5.000577
-1.015179
3.666499
other
Dy2Re4Si2C2
10
63
157.08
mp-1205720
-5.6418
0.300372
4.171651
other
Ho2Mn4Si2C2
10
63
136.86
mp-1218284
6.959057
11.023175
1.383666
other
Sr2Dy2Co2O8
14
63
175.35
mp-756688
8.747732
14.382091
-0.093839
other
Li8Mn4O8F4
24
63
240.42
mp-555257
12.964213
6.004179
-5.624199
other
Mg4Bi2P2O12
20
63
243.55
mp-1211422
1.266634
2.301264
-4.304224
other
K2Pt2Br6N2
12
63
419.02
mp-19296
13.311847
7.434622
-1.161112
other
Sr2V2Si4O14
22
63
284.06
mp-1201443
11.064313
11.337252
1.994732
other
Cs6Nb18Te8O64
96
63
1,550.41
mp-1205921
-6.582046
-1.132079
4.016684
other
Ce2Si2Os4C2
10
63
157.76
mp-1209018
-3.904346
-1.829688
-5.682111
other
Sc4Tl2Cu6S10
22
63
411.06
mp-1207591
-3.550406
-2.090005
-5.314614
other
Yb2Eu2Cu2S6
12
63
251.1