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-1181833
4.121035
3.553102
-3.917201
other
Co2C2N12Cl4
20
63
422.73
mp-560441
12.482004
6.373479
-0.568521
other
Ba2Zn4Si4O14
24
63
351.21
mp-1205618
-4.901414
-0.997272
3.671302
other
Tm2Re4Si2C2
10
63
155.28
mp-1205526
-5.601779
0.233335
4.229586
other
Tb2Mn4Si2C2
10
63
139.38
mp-22291
-4.850133
-3.283272
-3.71334
other
Cs2Gd2Hg2Se6
12
63
399.46
mp-763347
13.355535
12.549866
-0.515874
other
Li8V4O8F4
24
63
222.82
mp-11606
-2.772622
-2.626914
-5.80269
other
K2Ho4Cu2S8
16
63
357.95
mp-561703
4.809982
3.238079
-4.234271
other
Au2C2Cl2O2
8
63
208.36
mp-1205506
-6.123078
-0.46455
4.213335
other
Nd2Si2Ru4C2
10
63
158.38
mp-1191238
-4.698775
-3.728567
-3.95642
other
Cs2Sm4Cu6Se10
22
63
552.47
mp-12322
-2.84601
-2.562421
-5.731061
other
Rb2Gd4Cu2S8
16
63
387.85
mp-1196917
11.729086
6.869061
-2.992628
other
B4Mo2Pb12O24
42
63
693.01
mp-12492
-5.986146
-3.657176
-1.924249
other
Cs2Lu2Cd2Te6
12
63
460.42
mp-554238
-0.025805
1.377496
-5.433739
other
Cu2Bi2S2Cl4
10
63
224.37
mp-7152
-4.758746
-2.999111
-3.761414
other
Cs2Zr2Cu2Se6
12
63
330.81
mp-1193503
-5.462104
-5.882964
0.895226
other
Eu10Cd4Sb10O2
26
63
766.74
mp-557857
10.310322
11.325635
3.156962
other
Sr2Li4Nb4O14
24
63
294.84
mp-1205771
-7.101181
-0.015169
4.683947
other
U2Fe4Si2C2
10
63
129.97
mp-556046
13.738441
4.69598
-2.130549
other
Sr2Ga4B4O14
24
63
290.06
mp-505709
-4.64975
-3.638886
-3.693443
other
Cs2Sm2Zn2Se6
12
63
387.8
mp-867843
-5.751982
-3.518666
-1.11697
other
Rb2U2Te6Au2
12
63
419.89
mp-1190671
-4.980806
-3.417809
-3.872192
other
Cs2Yb4Cu6Se10
22
63
536.09
mp-1217772
6.924072
11.028358
1.412316
other
Sr2Sm2Co2O8
14
63
180.67
mp-561518
11.694985
7.044377
-4.087875
other
Mg4Bi2As2O12
20
63
273.35
mp-865528
-4.961536
-6.094101
0.835849
other
Ba10Cd4Sb10F2
26
63
912.91
mp-24029
10.311399
3.064872
-3.816637
other
Na4H20S2O10
36
63
356.79
mp-752589
14.378424
7.439256
-6.844921
other
Li4Mn4P4O16
28
63
306.08
mp-554117
8.732128
1.178561
0.911645
other
K4Zr4Cu4F28
40
63
565
mp-18710
-4.431128
-3.78185
-3.907989
other
Rb2Sm4Ag6Se10
22
63
586.26
mp-547244
9.302336
8.125483
-0.309556
other
Sr2Bi2Cl2O4
10
63
209.26
mp-1189161
8.92113
0.760246
-0.228915
other
Rb4Mn2O2F10
18
63
335.27
mp-1182488
5.040885
3.874485
-3.954908
other
Co2Br4N12O2
20
63
561.56
mp-574651
-4.782286
-3.432318
-3.58937
other
Cs2Sm2Mn2Se6
12
63
393.03
mp-754456
13.759815
8.291856
-1.171631
other
Na4V4Si4O16
28
63
311.08
mp-558066
10.760313
12.172878
-3.261378
other
Na2Ca2V2O8
14
63
206.47
mp-510459
11.83263
12.58462
-2.563792
other
Mn2V2Cu2O8
14
63
169.27
mp-1209212
8.476909
1.257894
1.258544
other
Rb2Hf2Cd2F14
20
63
335.36
mp-1205848
-5.564
-0.590666
2.207134
other
Dy2P2Ru4C2
10
63
145.25
mp-762643
11.42851
7.783976
-2.268816
other
Li12Fe12Si12O48
84
63
817.11
mp-1206340
-5.689255
0.313766
4.083241
other
Er2Mn4Si2C2
10
63
135.81
mp-1182891
8.131473
4.160803
-6.475331
other
Al2C2N2O10
16
63
208.82
mp-1205851
-5.767574
0.297407
4.113897
other
Dy2Mn4Si2C2
10
63
137.44
mp-753702
13.841521
8.622934
-1.108704
other
Li4V4Si4O16
28
63
284.8
mp-1190504
-6.066972
-3.593361
-1.891569
other
Rb2Sm4Ag6Te10
22
63
694.12
mp-12490
-5.986296
-3.673507
-1.922123
other
Cs2Ho2Cd2Te6
12
63
458.1
mp-867312
-3.346844
-1.852982
-5.131405
other
K2Np2Cu2S6
12
63
282.53
mp-1078408
-6.788919
-1.978325
1.19434
other
La2Ni4As2N2
10
63
145.57
mp-557249
-4.018888
-1.597705
-5.265543
other
K4U2Cu6S10
22
63
486.13
mp-555669
8.89672
1.449368
1.370003
other
Rb2Zr2Mn2F14
20
63
319.5
mp-542948
-4.738869
-3.448057
-3.787032
other
Cs2Yb2Co2Se6
12
63
375.84
mp-1229071
8.534389
12.928075
-0.830592
other
Ba2Fe8Sn4O22
36
63
441.71
mp-505424
11.303827
12.152937
-3.265626
other
V2Cd2Cu2O8
14
63
183.94
mp-13350
-3.207239
-2.081597
-4.984975
other
Rb2U2Ag2S6
12
63
323.13
mp-16884
-4.667734
-3.715504
-3.945845
other
Rb2Er4Cu6Se10
22
63
509.21
mp-560824
10.227907
8.312192
3.061072
other
La12B2N6O12
32
63
507.36
mp-559208
13.005277
6.680664
-0.769753
other
Sr2Ti2Si4O14
22
63
284.16
mp-20219
-5.750758
-3.459098
-1.261549
other
Cs2U2Cu2Te6
12
63
428.93
mp-558054
10.448586
11.270403
3.262241
other
Sr2Li4Ta4O14
24
63
279.31
mp-753321
14.74959
7.845389
-5.621276
other
Li4Fe4P4O16
28
63
299.96
mp-1182396
11.496692
6.717477
-0.413463
other
Ba6Na2Si4O16
28
63
444.26
mp-1182863
8.600558
1.253154
0.529409
other
Al2Tl4O2F10
18
63
317.59
mp-569505
-4.957206
-1.023242
3.669316
other
Tb2Re4Si2C2
10
63
157.83
mp-1205608
-5.936122
-0.056966
4.473655
other
Sm2Mn4Si2C2
10
63
144.63
mp-13346
-3.260229
-2.06236
-4.928352
other
Cs2U2Ag2S6
12
63
340.07
mp-1228641
-4.968059
0.234497
3.074386
other
B2Mo2W2C2
8
63
84.33
mp-560259
10.733993
12.157257
-3.45928
other
Na2V2Cd2O8
14
63
203.33
mp-753672
14.663248
7.645685
-5.426546
other
Na4Fe4P4O16
28
63
322.73
mp-1213721
8.761985
0.503846
0.772237
other
Cs4Fe2H2F10
18
63
395.17
mp-1205773
-6.25068
-0.510338
4.274996
other
Sm2Si2Ru4C2
10
63
156.15
mp-22472
7.643153
10.751648
1.106208
other
Ba6Cu2Ru4O18
30
63
414.69
mp-731573
8.786503
1.132439
-0.41194
other
Rb4Fe2O2F10
18
63
331.74
mp-570102
-6.156658
-0.496125
4.193686
other
Ho2Si2Ru4C2
10
63
151.07
mp-1209075
-5.979709
-3.623368
-1.984554
other
Rb2Yb2Zn2Te6
12
63
429.14
mp-1102297
-3.189599
-2.081256
-5.606734
other
Ba2Gd2Cu2S6
12
63
285.16
mp-573710
-4.640754
-3.663828
-3.69594
other
Cs2Tb2Zn2Se6
12
63
374.83
mp-12728
-3.184454
-2.412053
-5.734545
other
Eu2Tm2Cu2S6
12
63
250.62
mp-1213063
-4.699051
-3.579153
-3.625445
other
Cs2Tb2Mn2Se6
12
63
384.11
mp-1190323
-6.116941
-3.558266
-1.916046
other
Cs2Tb4Ag6Te10
22
63
709.14
mp-13259
-4.854259
-3.33924
-3.643638
other
Cs2Ho2Co2Se6
12
63
362.75
mp-545500
10.05747
9.056089
0.447323
other
Ba2Sb2Cl2O4
10
63
218.59
mp-760502
10.138659
2.935819
-3.86442
other
Li4H8Cl4O4
20
63
231.98
mp-556094
0.3245
1.61242
-5.324967
other
Ag2Bi2S2Cl4
10
63
251.04
mp-560870
13.700959
4.725748
-2.065144
other
Ba2Ga4B4O14
24
63
309.04
mp-1209261
8.386008
1.146365
1.432275
other
Rb2Ca2Zr2F14
20
63
344.2
mp-1209299
-6.517316
-1.038043
3.972422
other
Pr2Si2Os4C2
10
63
160.45
mp-560157
10.593966
12.712018
-3.335557
other
Li2Mg2V2O8
14
63
157.43
mp-6305
8.180506
5.402878
-3.849748
other
K6Ti2O8F6
22
63
359.36
mp-557074
10.066127
10.606204
3.389596
other
Ba2Pr4Ti6O20
32
63
434.4
mp-1229169
14.879708
5.852507
0.042452
other
Ca2Al4Si32O76
114
63
2,313.15
mp-559611
8.07554
8.166278
-2.578315
other
Yb8Ge6O18F12
44
63
591.13
mp-1209004
-4.805677
-3.447867
-4.04603
other
Sc4Tl2Cu6Se10
22
63
468.18
mp-1102015
-4.461321
-3.686124
-3.771654
other
Th2Tl2Cu2Se6
12
63
335.4
mp-862772
-4.381922
-4.12811
-3.876028
other
Cs2Nd4Cu2Se8
16
63
472.33
mp-775430
9.404706
8.192724
-0.509644
other
Li2Bi6I4O8
20
63
432.24
mp-761066
12.281457
7.174871
-7.345819
other
Na2Ni2P2O8
14
63
152.54
mp-1198431
7.427565
10.589071
1.024401
other
Ba24Na8Ru16O72
120
63
1,794.89
mp-1180582
7.505857
7.180576
-4.505262
other
Li2Al4Br2O12
20
63
283.97
mp-10336
-5.917029
-3.700313
-1.794208
other
Ba2Y2Cu2Te6
12
63
381.24
mp-780325
11.209053
7.771467
-2.413172
other
Li4Mn4Si4O16
28
63
284.53
mp-1102029
-5.733138
-3.522391
-1.058839
other
Cs2U2Te6Au2
12
63
437.65