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-1208023
-7.358703
-2.17328
6.128154
other
Tm6Al24Ru8
38
194
622.88
mp-1018819
-7.630455
-7.267015
5.357013
other
Nd2Tl2Cd2
6
194
161.52
mp-1078588
-4.410016
-2.516937
-3.327749
other
Ba2Ta2Se6
10
194
271.87
mp-1192784
-5.978505
-2.956535
4.101009
other
Hf18Co2W8
28
194
547.42
mp-510616
12.707232
13.109146
-1.169525
other
Na2V12O22
36
194
404.04
mp-1209944
-7.389285
-2.272642
6.016243
other
Nd6Al24Ru8
38
194
653.9
mp-1078574
-6.513515
-2.485355
1.474094
other
Hf2Ni4Sb2
8
194
123.98
mp-1205860
-4.866254
-5.195171
0.302968
other
Sr2In4As4
10
194
286.04
mp-7003
-4.950132
-3.572338
0.886045
other
Ce2P2Pd2
6
194
122.88
mp-1191857
-9.163133
-1.663488
2.841128
other
Pr6Al2Ni16
24
194
375.01
mp-7421
-4.732022
-5.225548
0.260228
other
K2Zn2As2
6
194
156.93
mp-1227417
-7.260427
-6.963055
3.234009
other
Ca4Mg2Ag6
12
194
283.81
mp-1196023
-8.165142
-1.979934
2.920419
other
Sc6Ni22Ge8
36
194
475.89
mp-10394
-6.90711
-0.967174
3.222145
other
Cr2Co2Ge2
6
194
74.32
mp-1205503
-3.780099
-0.473592
-3.698417
other
Ta2Sn4S4
10
194
229.78
mp-1086669
-5.613861
-1.071008
2.072425
other
Ni2P4W2
8
194
107.51
mp-4835
-5.023605
-4.216241
5.764103
other
La2Cu2Si2
6
194
128.9
mp-1246237
-0.009991
2.380604
2.257833
other
V2Fe2N4
8
194
69.18
mp-1199930
-8.839107
-0.273591
4.416164
other
Y4Co28Cu6
38
194
488.2
mp-20190
-7.469969
-6.209736
4.342128
other
La4Zn4Sn4
12
194
315.34
mp-1223824
-6.823364
-0.273668
4.806524
other
Hf4Fe6Si2
12
194
169.03
mp-11019
11.83642
8.476581
-0.461888
original
Ga2Cu2O4
8
194
87.57
mp-3581
-4.076586
-0.105819
-3.584574
other
Ta8Mn2S16
26
194
485.56
mp-997015
7.666789
9.076764
-1.176055
other
Pb2Au2O4
8
194
152.16
mp-574423
-8.964621
-1.785148
2.858907
other
Ce4Ni20Sn4
28
194
405.81
mp-27259
-1.231841
3.067033
-2.932693
other
Cs2Cr2I6
10
194
408.76
mp-1018825
-8.451098
-6.683826
3.374898
other
Nd2Pb2Au2
6
194
159.89
mp-1102564
-7.166
0.153097
5.151696
other
Sc4Fe6Si2
12
194
170.73
mp-10911
-7.700555
-2.665864
5.666743
other
Sc4Al6Ru2
12
194
205.99
mp-1206044
-0.648487
1.335939
-4.651935
other
Cr2Co2Br6
10
194
258.14
mp-3103
-3.827914
-0.492879
2.812429
other
Nb8Al2C6
16
194
210.76
mp-1071536
-7.561977
-4.502152
3.449365
other
U2Sn2Au2
6
194
131.98
mp-1018705
-7.602705
-6.678646
4.003567
other
Gd2Cu2Pb2
6
194
138.13
mp-1193669
-6.264053
-2.850447
4.225812
other
Hf18Re8As2
28
194
550.38
mp-1247363
1.714435
2.600528
1.072031
other
Mn2Cd6N6
14
194
213.62
mp-1071423
-6.509435
-1.536173
2.047485
other
V2Fe2Sb2
6
194
88.29
mp-13005
-7.067872
-3.817176
5.344058
other
La2Cr2Ge6
10
194
197.07
mp-1246050
0.31323
2.092067
2.419951
other
Ti2Co2N4
8
194
70.85
mp-1206489
-1.344568
2.235901
-2.045297
other
Cs2Sc2I6
10
194
421.16
mp-1209374
-7.252406
-2.204751
6.240687
other
Pr6Al24Os8
38
194
661.37
mp-1078712
-3.182328
-0.234446
2.803763
original
Hf4Tl2C2
8
194
141.33
mp-571469
-8.950418
-6.604674
4.196251
other
Sm6Mg26Zn60
92
194
1,608.46
mp-1398131
8.367822
13.348789
-0.953753
other
Al2Fe2O6
10
194
105.28
mp-1238849
-4.457594
0.639161
3.027721
other
B2Mo2C2
6
194
52.34
mp-1224535
-5.707622
-3.067056
3.923164
other
Hf18B4W6
28
194
519.76
mp-997159
11.099975
12.851818
-0.298309
other
Cr2Au2O4
8
194
96.35
mp-4975
8.703681
0.83522
1.220277
other
Rb6Zn6F18
30
194
432.76
mp-1024972
-7.072531
-0.793997
3.006036
other
Fe2Ni2Ge2
6
194
71.77
mp-1200059
11.422693
8.111274
-0.411326
other
Ga22N2O34
58
194
722.88
mp-20329
10.145526
8.897926
-0.373459
other
In2Ag2O4
8
194
118.28
mp-19284
7.02895
12.145119
-1.186356
other
Ni2Ag2O4
8
194
95.93
mp-17865
-4.633284
-1.063109
-2.930867
other
Nb8Cr2Se16
26
194
583.62
mp-766387
12.548465
7.501328
0.550666
other
Rb2Al22O34
58
194
618.63
mp-1193027
-9.041487
-1.91959
3.479514
other
Ce6Zn6Ni12
24
194
393.08
mp-1025550
0.793746
1.268289
2.833982
other
Ti4Ga2N2
8
194
103.49
mp-30250
9.745425
9.104647
2.830713
other
Y2Ag2O4
8
194
131.84
mp-1221584
-6.373385
-2.040122
1.809286
other
Mn2V2Sb2
6
194
93.58
mp-1210661
-7.355563
-5.923989
4.325657
other
Lu4Zn4Sn4
12
194
264.11
mp-1077463
-7.890146
-6.531202
3.89866
other
Er2Cu2Pb2
6
194
133.71
mp-29751
-1.247332
2.834643
-2.816756
other
Cs2Mg2I6
10
194
419.42
mp-860798
12.521171
7.523397
0.584967
other
Na2Al22O34
58
194
629.76
mp-1206081
-8.168288
-4.014471
2.905247
other
Tm2Sn2Pt4
8
194
164.31
mp-971647
8.57072
15.173808
-0.255464
other
Na2Mn2O4
8
194
90.62
mp-570713
-7.949857
-4.005216
3.554041
other
Ti2Al2Pt2
6
194
91.36
mp-1217780
-6.673874
-1.093872
3.702481
other
Ta4Co6Ge2
12
194
154.42
mp-1079546
-4.100068
-0.638606
2.900128
other
Nb4Ga2C2
8
194
116.82
mp-1212479
-5.870563
-3.009914
4.07652
other
Hf18Mo8Se2
28
194
561.81
mp-13223
-9.552818
-4.715283
3.893624
other
Eu2Mg4Cu18
24
194
358.25
mp-1208914
-7.404928
-2.280863
6.062256
other
Sm6Al24Ru8
38
194
645.66
mp-568506
-0.695421
1.135283
-1.804264
other
Pr4Ni4I2
10
194
252.54
mp-13288
-4.647637
-7.019794
2.946519
other
Ba6Li2N2
10
194
413.09
mp-1188497
6.72961
12.268057
1.171212
other
Ca4Mn4O12
20
194
231.99
mp-1077768
-8.579989
-5.689929
3.746027
other
Ce2Al2Au2
6
194
133.99
mp-1101845
-6.167623
-6.046351
4.002268
other
Eu4Ga4Ge4
12
194
278.2
mp-1189472
-0.144638
2.057295
2.347731
other
Al2V8N6
16
194
161.2
mp-3871
-4.089213
-0.536693
3.064686
other
Ti4Sn2C2
8
194
119.2
mp-12029
-3.854285
-4.186349
0.725818
other
Li4Cu2P2
8
194
106.35
mp-1213010
-7.460431
-2.538704
4.942957
other
Er6Si6Rh12
24
194
390.5
mp-1104803
-1.965482
0.451174
2.430576
other
Dy2Al6C6
14
194
174.39
mp-1190746
-9.150233
-1.57464
3.05443
other
Er6Al2Ni16
24
194
350.77
mp-19178
7.147623
13.359632
-1.813596
other
Co2Ag2O4
8
194
87.12
mp-3250
-6.226727
-2.560223
-0.60927
other
Ni4Sb2Te4
10
194
214.85
mp-865190
-9.180007
-0.793119
2.865316
other
Lu6Ni14B4
24
194
300.26
mp-1072794
-6.192933
-7.140933
3.230718
other
Ca2Zn2Pb2
6
194
157.39
mp-1206444
0.080166
2.279151
-4.334906
other
Cs6I2O2
10
194
411.08
mp-1103232
-6.14984
-3.552882
0.747308
other
Dy4As4Pt4
12
194
240.89
mp-1237201
-7.392963
-1.03921
4.79705
other
Dy4Mn24Ga10
38
194
534.02
mp-1207653
-8.579915
-4.578586
4.325154
other
Yb6Cu22Si8
36
194
518.24
mp-1101266
11.375984
8.486543
2.777073
other
Tm4Te2O4
10
194
179.98
mp-752927
9.338172
0.732082
0.703408
other
Li2Ag2F4
8
194
93.13
mp-1207039
-1.133701
0.593348
-1.450541
other
La4Cu4I2
10
194
276.94
mp-1404877
7.260267
10.21938
-1.780287
other
Al2Ag2O6
10
194
116.49
mp-31145
-5.409158
-6.220364
0.872833
other
Ba2Cu2Bi2
6
194
189.62
mp-1102473
-7.714374
-1.531441
4.773824
other
U4Co6Ge2
12
194
176.68
mp-1206304
-6.395209
-3.818317
5.06
other
Pr2Ti2Ge6
10
194
201.08
mp-1205501
1.52919
2.498741
-5.106892
other
Cr2Co2Cl6
10
194
213.03
mp-1205711
-6.607076
-3.083335
4.573693
other
La4Ru4I2
10
194
290.93
mp-1018674
-7.560346
-5.499029
6.234893
other
Dy2Al2Zn2
6
194
122.59
mp-570159
-7.428388
-6.295042
4.603197
other
Sm4Zn4Sn4
12
194
288.36
mp-1207509
-3.172823
-2.103791
-5.054168
other
Yb4S4F4
12
194
254.35