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-553310
7.412859
9.729244
-0.465796
other
Cs2Cu2O4
8
63
175.51
mp-761145
10.370583
3.103824
1.704632
other
V6O2F14
22
63
308.62
mp-1204871
7.960914
8.15917
-2.163383
other
Er8Ge6O30
44
63
579.35
mp-1214899
2.725446
2.900887
-3.602687
other
Al2I6N10
18
63
264.4
mp-1104512
-7.903383
-5.227968
2.711802
other
Ce2Sn8Pd4
14
63
325.37
mp-1105861
-7.773213
-2.807278
5.424056
other
Tm6Ge6Ru4
16
63
308.26
mp-1047657
6.722478
13.533315
-1.68981
other
Mg2Co4O8
14
63
136.41
mp-9768
-5.934736
-5.037845
0.603153
other
Ba2Sb4Pd2
8
63
228.63
mp-643718
3.347347
-0.682261
-2.53874
other
Ba2Mg2H8
12
63
163.83
mp-30172
-7.768503
-2.851813
5.396455
other
Ho6Ge6Ru4
16
63
315.43
mp-1078700
-6.012835
-5.969952
0.533611
other
Li4Bi2Au2
8
63
174.08
mp-1102135
-7.34529
-3.698542
5.970842
other
Nd2Al8Ni2
12
63
214.74
mp-18817
8.945393
7.256594
-3.8467
other
Ni2Se2O8
12
63
138.78
mp-755420
9.676874
8.322037
3.050545
other
Sr2Sm4O8
14
63
228.24
mp-31368
6.729424
5.691621
-3.302601
other
K2Cl2O4
8
63
155.08
mp-1043265
5.667984
11.102202
-1.808287
other
Zn2Fe4O10
16
63
217.78
mp-1206013
-8.017903
-4.578958
3.62614
other
Ho2Ge4Pd2
8
63
157.2
mp-1105216
10.963424
11.861254
2.868269
other
Li2Ta2O6
10
63
145.72
mp-18788
7.962937
11.440205
-3.244106
other
Cr2Co2O8
12
63
127.07
mp-1047707
6.160914
12.696595
-1.407566
other
Zn2Ni4O8
14
63
132.02
mp-27536
11.873917
8.984111
1.630853
other
U2Br2O4
8
63
171.73
mp-1106081
7.232589
7.576399
-3.864868
other
Na4Se2O10
16
63
323.53
mp-639526
-6.959438
-4.623649
5.212294
other
La4Zn6Ge12
22
63
447.68
mp-1212287
-4.101789
1.616433
3.111398
other
Ho6B14Mo2
22
63
260.71
mp-866827
-3.363009
-1.665947
-5.754528
other
Ca6Sn4S14
24
63
584.9
mp-11788
-4.38703
-4.170131
-3.815843
other
Yb2Sm2Se6
10
63
272.3
mp-1042170
7.904068
13.05084
-0.633002
other
Ca2Fe4O8
14
63
155.66
mp-17097
7.706434
10.54911
0.438488
other
Sr6Ir6O18
30
63
384.24
mp-752533
9.503407
8.393399
2.924482
other
Sr2La4O8
14
63
247.63
mp-586092
9.826109
13.237125
-0.419507
other
Li12Fe20O32
64
63
609.8
mp-781897
10.079282
9.417262
3.332829
other
Gd6Nb2O14
22
63
305.41
mp-1047315
11.178835
9.526652
0.467583
other
Ca2Sb4O8
14
63
209.68
mp-36520
-1.195917
3.156563
-2.995647
other
Cs2Cr2I4
8
63
389.32
mp-1206194
-1.190793
2.087229
-1.815936
other
Rb2Dy2I6
10
63
419.8
mp-1205714
-3.542502
-4.473384
0.644474
other
Rb4P4Pd2
10
63
290.17
mp-1272927
11.574062
11.680255
-0.856311
other
Cr4Re4O16
24
63
258.69
mp-1043000
9.665888
9.833474
0.015553
other
Zn2Sn4O10
16
63
218.8
mp-8670
1.396555
1.889211
1.508217
other
Ca6Cr2N6
14
63
217.52
mp-11778
-4.216588
-3.806593
-3.541011
other
Th2Mn2Se6
10
63
242.44
mp-1001080
8.885909
3.731123
-5.842121
other
H4C2O6
12
63
120.63
mp-542772
1.361551
2.741768
-5.980366
other
Cs2Ag2Cl4
8
63
240.52
mp-1025508
-8.230734
-4.261833
5.16345
other
Er2Ga4Ni2
8
63
132.77
mp-978092
-7.6319
-4.195729
4.934219
other
Pr2Cu2Ge4
8
63
156.16
mp-1208600
7.169329
9.181279
-0.727903
other
Sr2Tl6O10
18
63
287.29
mp-1078217
10.194541
1.885222
2.102426
other
Na2Fe2F6
10
63
115.1
mp-1207571
-6.5675
-6.98097
3.745385
other
Yb6Sn2H4
12
63
259.72
mp-1084770
-5.448147
-6.195467
0.668979
other
K4Bi2Au2
8
63
284.31
mp-1043159
9.05302
11.780033
-2.63408
other
Mg2Cr4O10
16
63
209.49
mp-29030
8.421886
1.284757
1.586599
other
Th4Tl12F28
44
63
779.33
mp-756354
10.194789
8.553122
3.273371
other
Sr2Sc4O8
14
63
180.79
mp-1206093
-7.472935
-3.619065
4.700572
other
Th2Ni2Ge4
8
63
149.03
mp-12813
-8.130568
-5.037215
3.900701
other
Yb2In4Rh2
8
63
177.8
mp-1216334
-3.384682
-2.247946
-4.950698
other
Yb12Fe4S22
38
63
781.82
mp-28201
-4.138059
-3.845917
0.751397
other
Sr8P10Pd10
28
63
568.6
mp-1047303
11.225598
9.361971
0.502782
other
Mg2Sn4O8
14
63
186.22
mp-1246654
2.323795
2.338231
1.504104
other
Cu2Ge2N4
8
63
81.04
mp-4391
12.452206
7.380716
-0.797157
other
Mg2Si2O6
10
63
84.2
mp-1191743
-4.067392
1.593631
3.095488
other
Tb6B14W2
22
63
267.08
mp-21565
-6.957355
-0.304103
4.294515
other
Tb2Fe12Ge12
26
63
373.09
mp-1206233
-7.057083
-4.549563
6.045736
other
Tb2Al2Ge2
6
63
121.84
mp-12948
8.911593
0.80602
1.425554
other
Na2Mg2F6
10
63
107.31
mp-1047701
8.240561
13.34953
-1.077591
other
Zn2Fe4O8
14
63
143.54
mp-12895
-8.176413
-4.045583
5.019282
other
Yb2Ga8Ni2
12
63
206.97
mp-1043161
7.343242
12.596544
-1.572155
other
Mg2Mn4O10
16
63
206.27
mp-20548
-6.889297
-1.857565
6.434569
other
U2Al20Fe4
26
63
396.1
mp-5901
-5.367528
-2.735946
5.792426
other
Ce2Mn2Si4
8
63
141.98
mp-555531
-5.152146
-7.18503
2.176851
other
K20Tl12O4
36
63
1,210.83
mp-613206
-7.782767
-2.994945
4.54457
other
Eu2Ge4Ir2
8
63
164.88
mp-1189596
-8.453133
-6.598251
4.900873
other
Pr4Zn10Pb2
16
63
340.62
mp-779451
12.466048
0.981532
2.480317
other
Fe4O2F6
12
63
147.04
mp-1071337
-7.047656
-4.730859
6.091113
other
Tb2Al2Ge2
6
63
129.05
mp-783906
8.742541
15.496007
-1.485892
other
Mn4O6F2
12
63
125.32
mp-1047705
11.203333
12.436
0.240278
other
Ca2Cr4O8
14
63
151.49
mp-10503
-8.116335
0.166771
4.698219
other
Mg2B8Os6
16
63
168.57
mp-1210813
-5.306835
-2.775889
5.942807
other
Lu6Fe4Si6
16
63
279.24
mp-1208080
-8.080888
-3.453634
5.026237
other
U4Ga18Ir6
28
63
475.84
mp-5311
0.986118
1.93076
2.267376
other
U2B2N2
6
63
70.89
mp-17666
8.657525
10.336594
1.976782
other
Nd6Os2O14
22
63
308.39
mp-1078737
-7.836699
-2.701451
5.328222
other
Ho2Co2Ge4
8
63
138.18
mp-15121
-6.091264
-2.995604
-1.430363
other
Rb2Fe4Te6
12
63
385.73
mp-731715
8.853374
10.703528
-3.901281
other
K8V4O18
30
63
568.71
mp-4353
-7.325804
-3.575426
5.996978
other
Tb2Al8Ni2
12
63
204.08
mp-1080561
-7.942327
-4.605193
4.605002
other
Ca2Ga4Ni2
8
63
143.87
mp-1025413
-5.173699
-3.589102
5.632154
other
Th2Si4Ni2
8
63
138.63
mp-1247302
4.697409
2.249309
-3.134762
other
Ti2C12N18
32
63
529.37
mp-1200862
7.198246
0.25188
-3.981151
other
B6H24N2
32
63
275.3
mp-4009
-3.375086
-1.651612
-4.943391
other
Ba2Pd2S4
8
63
208.76
mp-1205722
-1.180173
2.292118
-2.147707
other
K2Ca2I6
10
63
408.3
mp-9442
-5.17016
-2.885729
5.999809
other
Dy6Fe4Si6
16
63
292.44
mp-554109
8.783461
7.232782
-3.890585
other
Cu2Se2O8
12
63
143.97
mp-754269
9.741862
9.114294
2.501708
other
Nd6Sb2O14
22
63
315.88
mp-4034
-5.901944
-3.455093
-1.661131
other
La2Te4Se2
8
63
245.94
mp-1206887
-7.736402
-2.85136
5.049552
other
Th2Co2Ge4
8
63
147.32
mp-998604
1.359119
2.456096
-5.71573
other
Rb2Pb2Cl6
10
63
321.33
mp-755849
12.04271
-0.74874
1.078661
other
Mn8O4F12
24
63
300.76
mp-1204993
-7.792662
-9.845947
4.742967
other
Mg38Al8Zn30
76
63
1,387.63
mp-1206689
-4.641381
-5.387947
0.270936
original
Cs4Ni2As4
10
63
324.69
mp-1209798
-6.941134
-1.878196
6.58662
other
Pr2Al20Fe4
26
63
426.37
mp-16641
-7.839155
-5.230701
2.89824
other
Yb2Sn4Pd2
8
63
186.43
mp-972235
-4.072701
1.637012
3.115089
other
Tb6Fe2B14
22
63
252.06