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-1218191
6.881771
10.940753
1.363338
other
Sr2La2Co2O8
14
63
186.62
mp-1205378
-4.592881
-3.558427
-3.991795
other
Lu2Cu2Pb2Se6
12
63
286.75
mp-1206400
-6.761475
-0.754159
3.916988
other
Y2P2Os4C2
10
63
150.78
mp-1213648
-4.698554
-3.536007
-3.656067
other
Cs2Tm2Mn2Se6
12
63
374.43
mp-1205703
-6.179888
-0.507305
4.179553
other
Tm2Si2Ru4C2
10
63
149.61
mp-1217781
7.007299
11.02898
1.272989
other
Sr2Sm2Ni2O8
14
63
179.36
mp-862687
8.782738
1.129105
-4.213298
other
Cu2H12N4Cl4
22
63
241.33
mp-1179724
8.198875
1.13693
-3.863846
other
Rb2Li4H12N6
24
63
268.68
mp-6182
-4.64594
-3.755476
-3.938048
other
Cs2Tb4Cu6Se10
22
63
526.51
mp-510065
-4.876943
-3.281879
-3.678561
other
Cs2Nd2Hg2Se6
12
63
411.84
mp-510062
-4.753286
-3.497678
-3.668233
other
Cs2Sm2Cd2Se6
12
63
406.57
mp-1079697
-5.64032
-0.655257
2.236873
other
Sm2P2Ru4C2
10
63
151.78
mp-23138
10.560152
8.758965
-1.178441
other
Sb2Pb2Cl2O4
10
63
189.25
mp-1102146
-4.702552
-3.56142
-3.693551
other
Cs2Dy2Zn2Se6
12
63
372.79
mp-1205728
-6.639237
-0.84777
3.73552
other
Ce2P2Os4C2
10
63
153.31
mp-1205603
-6.226184
-0.406676
4.134673
other
Tb2Si2Ru4C2
10
63
152.58
mp-755245
11.81736
7.406388
-7.181758
other
Li2Cu2P2O8
14
63
141.37
mp-1205545
-5.008044
-1.037216
3.692073
other
Ho2Re4Si2C2
10
63
156.87
mp-19942
-4.490572
-3.515163
-3.957146
original
Ba2Gd2Au2Se6
12
63
333.37
mp-753151
10.743489
12.304522
-3.315673
other
Li2V2Co2O8
14
63
156.76
mp-9855
-3.779913
-1.206235
-5.457073
other
K2Hf2Cu2S6
12
63
260.55
mp-570595
-6.174275
-0.434521
4.232321
other
Dy2Si2Ru4C2
10
63
151.94
mp-569991
-5.486146
-6.769026
3.012172
other
Na30Sn2Ge16P2
50
63
1,239.47
mp-752937
14.071764
12.194959
-0.452219
other
Li2V4O4F6
16
63
196.89
mp-560665
9.700025
7.992838
-1.234869
other
La2Pb12Br2O14
30
63
682.39
mp-1213957
8.439425
1.268481
1.368446
other
Ca2Zr2Tl2F14
20
63
343.59
mp-753612
11.620945
-0.47512
0.393952
other
Li2Mn4O4F6
16
63
197.71
mp-505712
-4.629035
-3.65087
-3.713288
other
Cs2Ho2Zn2Se6
12
63
362.33
mp-555561
12.479606
6.531678
-0.616973
other
Ba2U2Si4O16
24
63
357.84
mp-17929
-3.643112
-2.055222
-5.772423
other
Rb2Ho4Cu6S10
22
63
452.96
mp-1190996
-4.697484
-3.673468
-3.956547
other
Cs2Gd4Cu6Se10
22
63
539.57
mp-753659
8.66188
14.435362
-0.102785
other
Li8Mn4O8F4
24
63
232.48
mp-1190166
-8.003627
-3.126275
4.271025
other
Ba4Mg2Ge8Ir8
22
63
472.4
mp-510569
-3.441402
-2.066506
-5.409745
original
Cs2Ce2Cu2S6
12
63
326.04
mp-1192527
-3.252876
-4.454161
0.879856
other
Ba8Li4Cd6P12
30
63
769.06
mp-505815
-4.422708
-3.964421
-3.793138
other
Cs2La4Cu2Se8
16
63
490.96
mp-1205624
-6.909944
0.393957
4.793238
other
Gd2Fe4Si2C2
10
63
131.68
mp-11603
-2.834682
-2.616323
-5.743906
other
K2Nd4Cu2S8
16
63
398.37
mp-1214271
-5.177399
-4.576202
0.472915
other
Ba2Zn4Cu4As6
16
63
327.01
mp-1205578
-6.512051
-1.033216
4.014006
other
Nd2Si2Os4C2
10
63
159.89
mp-11121
-4.740245
-3.543564
-3.678833
other
Cs2Tb2Cd2Se6
12
63
397.79
mp-1206466
10.621656
8.684048
-1.25531
other
Sb2Pb2Br2O4
10
63
207.2
mp-560909
8.155259
1.585004
-0.199946
other
Na2Li2Yb4F16
24
63
311.48
mp-1190295
-6.045777
-3.638562
-1.903622
other
Cs2Pr4Ag6Te10
22
63
748.17
mp-1212147
8.595061
1.444198
1.226072
other
Hf2Tl2Cd2F14
20
63
318.18
mp-731701
8.573161
1.145093
0.351862
other
K4Al2O2F10
18
63
281.27
mp-1297347
6.026349
10.215935
0.039494
other
Sr8Fe4Sn4O24
40
63
529.46
mp-1190455
-6.05177
-3.598517
-1.923051
other
Cs2Gd4Ag6Te10
22
63
705.4
mp-18540
-3.63117
-2.114181
-5.765666
other
Cs2Er4Cu6S10
22
63
463.04
mp-1101781
-4.605532
-3.680816
-3.859989
other
Ba2Er2Cu2Se6
12
63
307.89
mp-1102849
-4.586206
-3.600988
-3.800363
other
Ba2Er2Ag2Se6
12
63
332.25
mp-1227089
7.02097
11.053043
1.442583
other
Ca2Nd2Co2O8
14
63
173.37
mp-1205555
-6.929806
-1.349044
4.278148
other
U2Si2Os4C2
10
63
152.85
mp-1192758
10.192301
7.3248
-2.435342
other
Ca2Al4Si4O20
30
63
326.63
mp-1190421
-6.086101
-3.568371
-1.938583
other
Cs2Dy4Ag6Te10
22
63
706.75
mp-1205580
-6.535283
-0.436725
4.481223
other
Th2Si2Ru4C2
10
63
160.24
mp-26219
14.301287
7.609153
-7.113994
other
Li4Mn4P4O16
28
63
302.68
mp-1206183
-6.619467
-1.123002
4.065159
other
Tb2Si2Os4C2
10
63
152.21
mp-9396
-3.962947
-1.269453
-5.561131
other
Hf2Tl2Cu2S6
12
63
256.99
mp-1182487
4.544195
3.182504
-4.121281
other
Au2C2Cl2O2
8
63
366.05
mp-579071
7.059621
11.637802
1.645682
other
Ba2Eu4Mn4O14
24
63
317.98
mp-548469
9.698814
8.493458
1.542253
other
Ba2Zn2S2O2
8
63
161.26
mp-9318
-4.791326
-2.987372
-3.870246
other
K2Zr2Cu2Se6
12
63
299.23
mp-1206657
-6.634896
-0.693293
3.720069
other
Nd2P2Os4C2
10
63
155.46
mp-568191
-4.461432
-3.819882
-3.942417
other
Sr2Lu2Cu2Se6
12
63
287.25
mp-13348
-3.285107
-2.106335
-4.858659
other
Cs2U2Cu2S6
12
63
320.25
mp-1101818
-4.542223
-3.529556
-3.792464
other
Ba2La2Ag2Se6
12
63
357.51
mp-1095661
-4.733131
-3.421849
-3.936357
other
Yb2Cu2Pb2Se6
12
63
298.55
mp-1199636
8.258436
2.639095
-1.385325
other
U6Ni4O18F32
60
63
908.67
mp-581749
-4.648922
-3.718736
-3.986234
other
Cs2Tm4Cu6Se10
22
63
520.97
mp-1202849
9.091734
4.471146
-4.131962
other
Sr2H36Cl4O34
76
63
750.11
mp-1191957
10.039726
9.528283
-1.929168
other
K2U2Te4O16
24
63
425.97
mp-1105996
1.852786
2.935079
-5.237452
other
Cs4Rh2Cl10O2
18
63
549.87
mp-867188
-3.428031
-1.80242
-5.059175
other
Rb2Np2Cu2S6
12
63
300.43
mp-559618
8.571032
3.752249
-6.08171
other
Na2B2C8O16
28
63
351.27
mp-1106402
8.388577
1.133991
1.058221
other
Rb4Ti2O2F10
18
63
354.96
mp-1189428
1.763899
2.901834
-5.43918
other
Cs4Ir2Cl10O2
18
63
563.05
mp-1078291
-7.15255
-0.612318
2.956176
other
La2Co4As2N2
10
63
145.1
mp-510460
-5.956664
-3.717804
-1.851556
other
Cs2La2Zn2Te6
12
63
483.87
mp-1218176
7.653934
10.830498
1.714952
other
Sr2La2Fe2O8
14
63
196.25
mp-1103744
-5.952537
-3.64917
-1.913791
other
Cs2Y2Zn2Te6
12
63
451.16
mp-27045
12.989893
7.554591
-7.162432
other
Li4Co4P4O16
28
63
283.36
mp-768150
9.481548
8.29772
-0.458654
other
Li2Bi6Br4O8
20
63
398.56
mp-1310390
7.328427
11.842618
2.138119
other
Sr4La2Mn4O14
24
63
310.5
mp-567741
4.910866
2.866004
-3.90546
other
P2C4N6Cl8
20
63
453.55
mp-1214224
-5.953444
-3.670869
-1.79654
other
Ba2Yb2Cu2Te6
12
63
383.16
mp-753076
10.335915
12.3785
-3.508649
other
Li2V2Cu2O8
14
63
155.26
mp-865937
-3.18184
-1.905303
-5.228183
other
K2Np2Ag2S6
12
63
301.64
mp-10835
-2.920942
-2.571131
-5.714693
other
Rb2Sm4Cu2S8
16
63
396.81
mp-18672
-4.763987
-3.673699
-3.987468
other
Cs2Dy4Cu6Se10
22
63
530.25
mp-1229239
8.509168
11.475035
-0.728502
other
Bi4Rh28Pb8O60
100
63
1,303.73
mp-1103187
-5.928588
-3.621701
-1.963983
other
Cs2Tm2Zn2Te6
12
63
436.08
mp-7049
-3.969621
-1.27778
-5.588344
other
Zr2Tl2Cu2S6
12
63
264.62
mp-1209480
8.942117
0.871275
-0.324948
other
Rb4Fe2O2F10
18
63
330.81
mp-1190252
-6.10946
-3.561617
-1.925712
other
Cs2Er4Ag6Te10
22
63
689.94
mp-561141
13.481297
5.340194
-6.604289
other
K2Y2P4O14
22
63
319.32
mp-13352
-3.26818
-2.111466
-4.906703
other
Rb2U2Cu2S6
12
63
302.91
mp-761990
12.28538
7.527294
-7.508177
other
Li2Ni2P2O8
14
63
146.12
mp-1205538
-6.943545
0.365808
4.632602
other
Tm2Fe4Si2C2
10
63
129.41
mp-13349
-3.210056
-2.126132
-4.983839
other
K2U2Cu2S6
12
63
288.57