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-555538
-3.106242
-0.67252
-4.586349
other
Al2P2S8
12
131
376.21
mp-1079749
-2.932256
1.078161
2.72121
other
Tm2B4C4
10
131
100.24
mp-37473
8.878108
1.752107
0.943686
other
Ti2O2F4
8
131
114.26
mp-22158
-3.356014
1.274076
2.783823
other
Tb2Co2C2
6
131
91.56
mp-1084797
-2.886886
1.079761
2.700132
other
Ho2B4C4
10
131
102.67
mp-1120719
-1.761216
0.779464
2.034685
other
Li2Si2C4
8
131
88.09
mp-22714
-3.350537
1.308153
2.786274
other
Lu2Co2C2
6
131
84.8
mp-15955
-2.876393
1.032922
2.719611
other
Y2B4C4
10
131
104.52
mp-1078898
-2.843829
1.048223
2.657715
other
Gd2B4C4
10
131
107.26
mp-5256
-0.227797
0.877208
-0.380402
other
K2Cu2C4
8
131
187.35
mp-1208692
-8.04495
-0.970626
4.854887
other
Yb8B16Ru16
40
131
657.83
mp-1147644
7.277429
9.327351
-1.959606
other
Na2Au4O8
14
131
215.21
mp-20906
-3.390659
1.244368
2.784255
other
Ho2Co2C2
6
131
89.03
mp-19754
-3.384819
1.205248
2.784052
other
Tm2Co2C2
6
131
86.82
mp-8475
-3.421533
1.260103
2.768661
other
Er2Co2C2
6
131
87.94
mp-1084804
-2.814288
0.99281
2.623934
other
Nd2B4C4
10
131
112.56
mp-753333
12.404302
0.475381
0.520248
other
Fe4O4F4
12
131
157.3
mp-1086653
-2.639492
0.862104
2.535256
other
Yb2B4C4
10
131
105.9
mp-1095068
-2.927435
1.068259
2.716982
other
Lu2B4C4
10
131
98.91
mp-1211444
6.43222
6.015493
-3.644087
other
Li2Cl4O8
14
131
433.51
mp-20814
-2.850142
1.001572
2.651266
other
Dy2B4C4
10
131
103.8
mp-1095058
-2.86439
1.0499
2.665732
other
Er2B4C4
10
131
101.82
mp-5425
-0.363692
0.690084
-0.296082
other
Rb2Cu2C4
8
131
206.51
mp-29754
1.728233
1.733193
1.290039
other
Sr2Li2N2
6
131
108.56
mp-10101
-0.191936
0.662983
-0.415826
other
Cs2Ag2C4
8
131
255.17
mp-21422
-3.366855
1.17845
2.734106
other
Y2Co2C2
6
131
90.97
mp-15607
-2.931535
0.982611
2.682536
other
Ca2B4C4
10
131
109.41
mp-1025439
-0.361771
0.643878
-0.365495
other
Cs2Cu2C4
8
131
224.83
mp-29748
-5.391315
-2.208169
-2.092211
other
Te4Pd4I4
12
131
366.39
mp-504677
8.32196
1.252994
-0.276774
other
Sr2Pb2F12
16
131
256.43
mp-7783
-2.765344
0.952714
2.556691
other
La2B4C4
10
131
117.36
mp-1095117
-2.811633
0.973549
2.610025
other
Pr2B4C4
10
131
114.72
mp-20345
-3.302031
0.976916
2.850479
other
Gd2Co2C2
6
131
93.74
mp-1245656
1.444143
2.48069
0.809189
other
K2Pd2N2
6
131
129.17
mp-1247876
-5.832149
-3.386688
-2.102302
other
Ag4Sb4Te8
16
131
455.97
mp-1079578
-2.896429
1.057528
2.708773
other
Tb2B4C4
10
131
104.85
mp-1029347
1.016963
2.468534
0.551245
other
K2Pt2N2
6
131
123.58
mp-997394
8.541403
1.845764
0.315216
other
Nb2Ag2F12
16
132
234
mp-557724
8.22075
1.109216
-0.345495
other
K2Bi2F12
16
132
278.78
mp-1207868
8.80881
1.932392
1.257003
other
U2Ag2F12
16
132
252.54
mp-756187
-4.702237
-1.042432
-5.366442
other
Li4Fe2S4
10
132
189.51
mp-884085
-4.428011
-1.492098
-5.841773
other
Li4Cu2S4
10
132
182.01
mp-29993
8.4518
1.821169
0.297751
other
Ta2Ag2F12
16
132
233.23
mp-556888
8.344134
1.737695
-0.11069
other
K2Sb2F12
16
132
261.3
mp-7571
8.542856
1.611219
0.783547
other
K2Nb2F12
16
132
266.69
mp-1540904
8.435165
1.566565
0.734208
other
K2Ta2F12
16
132
264.22
mp-863436
10.328526
9.470994
-2.030303
other
Co8Te16O40
64
133
989.01
mp-779698
10.424438
9.30023
-1.988275
other
Zn8Te16O40
64
133
1,003.74
mp-13599
8.880205
1.914278
1.359235
other
Na8Sn16F40
64
133
1,080.34
mp-781864
9.336113
0.776141
-0.207187
other
Li8Cu16F40
64
133
1,236.24
mp-19503
10.601941
9.523819
-1.999988
other
Mn8Te16O40
64
133
1,052.05
mp-29165
-3.997118
-5.135051
5.416173
other
Li6Si6Ag4
16
134
246.29
mp-1203959
0.691782
1.054865
-3.34264
other
Sc32Fe8Cl40
80
134
1,786.66
mp-1208918
-8.314218
-0.580086
5.185237
other
Y8B16Ru16
40
134
620.29
mp-1204900
-0.033264
0.400233
-3.316424
other
Sc32Fe8Br40
80
134
2,024.5
mp-1202466
6.901127
6.427283
-3.852648
other
Cu4Sn4O24
32
134
406.01
mp-28840
-0.893206
1.099742
-1.724791
other
Y32Ru8I40
80
134
2,838.53
mp-1200540
-0.147282
0.465874
-2.872938
other
Ho32Ru8Br40
80
134
2,405.13
mp-1196369
-0.114362
0.546196
-2.841464
other
Y32Ru8Br40
80
134
2,387.05
mp-1197324
6.901629
6.314555
-3.912852
other
Na4Sb4O24
32
134
496.24
mp-1213499
6.668905
6.024459
-3.834051
other
Cu2Sn2O24
28
134
524.37
mp-1096784
11.385859
8.154045
-2.830405
other
Ni4As8O16
28
135
380.56
mp-1193389
10.761605
9.715322
-0.796094
other
Co4Sb8O16
28
135
449.83
mp-554181
10.327536
9.008513
-6.249895
other
V8P8O40
56
135
768.86
mp-30959
-3.103842
-1.172424
-5.481947
other
Li8H8S8
24
135
375.65
mp-1208786
-5.876246
-6.08553
2.087492
other
Tb8Bi16C8
32
135
755.56
mp-27219
10.855435
9.321531
-0.296191
other
Mg4Sb8O16
28
135
427.51
mp-19231
11.06834
9.823183
-0.251998
other
Mn4Sb8O16
28
135
453.46
mp-22265
11.275567
9.778933
-0.286446
other
Fe4Sb8O16
28
135
432.13
mp-1207923
-5.745565
-5.999889
1.457095
other
Yb8Bi16C8
32
135
737.85
mp-31310
-5.642637
-1.927849
5.24788
other
Zr24Mn32Si48
104
135
1,494.78
mp-8597
-3.323972
1.416914
2.874122
other
Sc8B16C8
32
135
299.97
mp-18288
11.619586
10.872504
1.564877
other
Ti4Sn8O16
28
135
431.82
mp-1207981
-5.893637
-6.063797
2.090569
other
Y8Bi16C8
32
135
755.47
mp-5388
10.778255
9.297011
-0.630216
other
Zn4Sb8O16
28
135
433.46
mp-15644
-3.197817
1.33846
2.895946
other
Dy8B16C8
32
135
343.37
mp-29089
1.823396
1.936703
1.397707
other
Sr16Ge8N16
40
135
749.47
mp-752598
12.106699
8.293287
-3.596262
other
Mn4As8O16
28
135
423.32
mp-1212656
-5.688133
-1.91348
5.253149
other
Hf24Mn32Si48
104
135
1,445.94
mp-866809
-3.142109
1.296334
2.84535
other
Yb8B16C8
32
135
347.21
mp-29809
2.118343
1.936545
1.490533
other
Ca16Ge8N16
40
135
628.62
mp-1213574
-5.889846
-6.128688
2.243546
other
Dy8Bi16C8
32
135
755.13
mp-15604
-3.178406
1.314827
2.887556
other
Tm8B16C8
32
135
330.24
mp-22271
11.399849
8.117457
-3.202992
other
Cu4As8O16
28
135
445.73
mp-1177954
9.739251
1.38314
1.757287
other
Li8Fe4F16
28
135
485.05
mp-9880
-3.134835
1.30741
2.911459
other
Y8B16C8
32
135
344.98
mp-1096874
11.622637
8.011288
-3.469553
other
Co4As8O16
28
135
393.46
mp-1209397
2.476223
2.697825
-4.473273
other
Sn8P12Cl96
116
135
3,620.26
mp-1212744
-5.874231
-6.00495
2.111331
other
Ho8Bi16C8
32
135
746.83
mp-22467
10.409402
8.267365
-1.287092
other
Sn4Pb8O16
28
135
492.61
mp-1180211
6.677464
8.578206
-2.527783
other
Na8Zn8O24
40
135
586.52
mp-1209912
-4.758673
-1.762741
-3.419117
other
Pd24Se16S8
48
135
919.41
mp-756132
10.569554
9.548919
-0.855531
other
Cu4Sb8O16
28
135
468.21
mp-15707
-3.162869
1.35415
2.907943
other
Tb8B16C8
32
135
347.95
mp-21275
10.561638
9.678568
-1.021921
other
Ni4Sb8O16
28
135
417.21
mp-15706
-3.166618
1.304752
2.89398
other
Lu8B16C8
32
135
319.43
mp-15603
-3.1903
1.343615
2.904833
other
Ho8B16C8
32
135
338.99
mp-1213611
-5.904
-5.968579
1.872134
other
Er8Bi16C8
32
135
740.01
mp-756549
12.083021
8.337027
-3.338399
other
Fe4As8O16
28
135
429.07
mp-29593
2.460929
2.644355
-4.523192
other
Re8P12Cl96
116
135
3,476.82