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-1103986
11.075139
11.042523
0.472066
other
Ba1Lu1Fe4O7
13
82
185.54
mp-1224837
-5.071574
-2.706633
-4.19769
other
Ga2Cu1Ag1Se4
8
82
191.78
mp-1226964
11.111897
11.047036
-3.20424
other
Cd2Mo1W1O8
12
82
158.37
mp-1224246
-6.093136
-3.289431
-2.250197
other
In2Cu1Ag1Te4
8
82
265.09
mp-1236207
13.148382
7.702592
-3.393267
other
Li1Al1As1O4
7
82
93.56
mp-1224210
-4.930458
-2.826943
-3.931214
other
In1Cu1Ge1Se4
7
82
187.25
mp-1193130
11.927748
6.635217
0.151014
other
Na5Nd4Si4O17
30
82
400.72
mp-1216116
10.602247
10.672185
1.612696
other
Y2Zr1W1O8
12
82
154.87
mp-1228824
-4.116773
-1.394355
-5.97377
other
Al1Zn1Ga1S4
7
82
150.82
mp-1225842
-4.815525
-1.077921
-5.770456
other
Cu2Ni1Sn1S4
8
82
155.8
mp-1208624
9.464753
7.47857
-5.609907
other
Sr1P4N2O12
19
82
297.92
mp-1224848
-4.760263
-2.695958
-3.964777
other
Ga1Ag1Sn1Se4
7
82
199.97
mp-1220980
11.372886
11.107249
-3.874083
other
Na1Nd1Mo2O8
12
82
166.84
mp-1228907
-4.750014
-1.262492
-6.040637
other
Al1Ga1Cu2S4
8
82
151.46
mp-1216076
-5.407563
-1.863126
-3.861232
other
Zn5Cr20Ga4Se40
69
82
1,502.99
mp-1217362
10.784695
12.081074
-3.562214
other
Th1V2Pb1O8
12
82
165.71
mp-1224565
-6.185527
-2.987948
-2.043544
other
In1Fe1Cu2Te4
8
82
229.89
mp-554497
8.161962
2.081592
-0.647491
other
Cu1Sb2Xe4F20
27
82
545.53
mp-2224173
-3.617378
-1.596179
-5.318252
other
K3Mg1Sb1S4
9
82
284.15
mp-1208595
13.176999
6.321054
-6.092448
other
Sr1Tl2P4O12
19
82
292.16
mp-2225309
14.110162
7.264232
-5.245245
other
Mg1Cu1P1O4
7
82
90.34
mp-1215879
-5.234105
-2.798671
-4.190995
other
Zn4Cu11Sn5Se20
40
82
956.37
mp-1222340
11.161867
11.21225
-2.644325
other
Li1Sm1W2O8
12
82
159.01
mp-505381
8.316927
1.190435
-3.939736
other
Na1Li3H8N4
16
82
153.09
mp-1224922
-4.925351
-2.823344
-4.045198
other
Ga1Cu1Sn1Se4
7
82
182.38
mp-1217208
9.07553
7.268213
-5.438431
other
U4P4Br4O24
36
82
626.1
mp-1079491
-4.97573
-2.887868
-4.074084
other
Li1In2Cu1Se4
8
82
209.37
mp-1224138
-4.464022
-1.334969
-5.91378
other
In2Cu1Ag1S4
8
82
187.91
mp-753654
14.004913
7.122914
-5.25206
other
Li1Sn1P1O4
7
82
106.56
mp-1221047
11.22901
11.137644
-3.916523
other
Na1Er1Mo2O8
12
82
155.12
mp-1223911
-4.834507
-2.67368
-4.122115
other
In1Ga1Ag2Se4
8
82
219.06
mp-1232332
-5.138489
-2.860215
-4.260551
other
Zn1Cu2Si1Se4
8
82
175.41
mp-753011
14.437845
7.221985
-7.033224
other
Li2Mn2P2O8
14
82
183.86
mp-1079541
-4.711616
-1.28828
-5.992926
other
Zn1Cu2Sn1S4
8
82
158.39
mp-1217036
8.851457
7.554835
-4.98111
other
U4P4Cl4O24
36
82
671.32
mp-752925
11.574317
7.317376
-2.145494
other
Li2Fe2Si2O8
14
82
177.22
mp-1224814
-4.468763
-1.362231
-6.023838
other
Ga2Cu1Ag1S4
8
82
164.37
mp-753382
14.508978
7.34919
-7.000414
other
Li2Mn2P2O8
14
82
179.76
mp-1222289
11.041069
11.288438
-2.622864
other
Li1Tb1W2O8
12
82
153.69
mp-1222481
11.700169
11.136018
-3.484932
other
Li1Ce1Mo2O8
12
82
161.78
mp-1078918
-5.215541
-2.796942
-4.178994
other
Zn1Cu2Sn1Se4
8
82
191.18
mp-1222331
11.111053
11.065501
-3.862432
other
Li1Y1Mo2O8
12
82
152.24
mp-1228963
-4.768508
-2.882655
-4.002285
other
Al1Ag1Sn1Se4
7
82
198.29
mp-2831941
-3.653983
-1.604425
-5.67356
other
Na2Cd1Sn1S4
8
82
222.13
mp-1224147
-5.263785
-2.787456
-4.221555
other
In1Ga1Cu2Se4
8
82
190.46
mp-866695
1.357179
2.806336
-4.348942
other
Re4Te4Se4Cl16
28
82
862.23
mp-2225303
9.457503
2.738603
1.55418
other
Mg1W1O1F4
7
82
105.62
mp-1223929
-4.206638
-1.286501
-5.721142
other
In1Cu1Ge1S4
7
82
160.37
mp-1224050
-6.16666
-3.098782
-2.298169
other
In1Ga1Cu2Te4
8
82
233.89
mp-762018
12.697513
7.553431
-7.334819
other
Li2Co2P2O8
14
82
173.61
mp-1222327
11.311107
11.104001
-3.883786
other
Li1Nd1Mo2O8
12
82
161.46
mp-1104205
11.059476
11.035533
0.465961
other
Ba1Er1Fe4O7
13
82
186.39
mp-1220757
11.376188
11.067812
-3.893389
other
Na1La1Mo2O8
12
82
173.85
mp-2234765
7.008944
12.000517
1.938457
other
Sr1La1Mn2O6
10
82
119.65
mp-1227687
12.405013
7.235091
0.539811
other
Ca4Al6W1O16
27
82
414.27
mp-1220977
11.319926
11.162459
-2.461684
original
Na1Nd1W2O8
12
82
167.82
mp-1229027
-4.883287
-2.944185
-4.066557
other
Al1Cu1Sn1Se4
7
82
181.59
mp-1223174
6.976878
8.558541
-1.617028
other
Li9La12Sn8O48
77
82
1,132.05
mp-1198030
8.716077
3.527435
-7.121338
other
Sr8Cu4C4O20
36
82
475.09
mp-1228980
-4.953724
-2.906085
-4.032019
other
Al1Cu1Ge1Se4
7
82
167.87
mp-2232102
7.260799
9.749829
0.198109
other
Nd2Mg1Cu4O8
15
82
194.23
mp-1210092
11.176927
10.970816
-3.644742
other
Na1Bi1Mo2O8
12
82
165.4
mp-1227264
11.192987
11.254367
-2.483833
other
Ca1Cd1W2O8
12
82
160.58
mp-11175
-2.52369
-0.484737
-5.491933
other
Li1Zn1P1S4
7
82
153.99
mp-754357
14.780261
7.819423
-5.525136
other
Li2Fe2P2O8
14
82
176.65
mp-1223568
11.597013
11.108304
-3.624242
other
K1Ce1Mo2O8
12
82
182.51
mp-1210114
10.62152
10.85158
-3.924489
other
Na1Eu1Mo2O8
12
82
166.38
mp-1120817
7.334035
8.689292
-0.184779
other
Li17La12Zr8O48
85
82
1,124.99
mp-1215558
-4.178092
-1.41752
-5.963671
other
Zn1Ag2Ge1S4
8
82
176.95
mp-1224265
-4.837559
-2.664685
-4.121285
other
In2Ga4Ag6Se12
24
82
645.86
mp-1220818
11.034737
11.133015
-2.485661
other
Na1Bi1W2O8
12
82
166.8
mp-1078420
-6.1782
-3.037754
-2.327579
other
Zn1Cu2Ge1Te4
8
82
228.35
mp-559885
7.865292
10.141576
-3.503744
other
Cr2Ag1Bi1O8
12
82
156.2
mp-1224706
10.582994
10.653604
-0.250551
other
Gd2Ge1Mo1O8
12
82
152.53
mp-1095596
8.020144
7.9439
-3.659396
other
Ca2B1As1O8
12
82
161.08
mp-1221609
-5.410592
-2.621146
-4.128448
other
Mn1Ga1Cu2Se4
8
82
179.28
mp-1228926
-4.883545
-2.82833
-4.117582
other
Al1In1Ag2Se4
8
82
217.21
mp-1103591
11.04473
11.007407
0.476146
other
Ba1Tm1Fe4O7
13
82
187.46
mp-561350
1.386219
2.25672
-5.371905
other
Al4Bi4S4Cl16
28
82
835.85
mp-759287
14.278365
7.438205
-5.077253
other
Li1Cu2P1O4
8
82
87.08
mp-1239180
7.497744
8.775382
0.221856
other
Li19La12Zr8O48
87
82
1,130.34
mp-1225885
-5.263168
-2.455319
-4.080853
other
Cu2Ni1Sn1Se4
8
82
180.27
mp-2228106
2.239559
2.541859
-4.445504
other
Mg1W1Cl4O1
7
82
153.38
mp-1223888
-4.750588
-2.748015
-3.953346
other
In1Ag1Sn1Se4
7
82
208.04
mp-540895
5.750086
3.250837
-4.725466
other
Cs1Co1C4O4
10
82
204.27
mp-1221130
8.333056
1.197453
-3.957612
other
Na4Li16H40N20
80
82
733.63
mp-1226259
-3.665265
-1.485984
-5.548771
other
Cs3Ag9Sb4S12
28
82
763.67
mp-1223913
-5.015719
-2.762123
-4.12314
other
In2Cu1Ag1Se4
8
82
217.57
mp-754909
13.962244
7.17969
-3.121478
other
Li1V1B1O4
7
82
77.78
mp-1229077
-4.752072
-1.224848
-5.995488
other
Al1In1Cu2S4
8
82
162.45
mp-1235027
13.115408
7.714149
-3.314675
other
Li1Al1As1O4
7
82
93.72
mp-1222332
11.061199
11.227724
-2.529533
other
Li1Gd1W2O8
12
82
155.98
mp-558990
13.181494
6.002963
-6.349321
other
K2Sr1P4O12
19
82
294.78
mp-1226967
-4.866542
-4.947356
0.209167
other
Cd2Sn1Ge1As4
8
82
223.5
mp-1274129
12.026838
7.396698
-0.666156
other
Sr8Co4Ge8O28
48
82
739.29
mp-1224264
-4.703206
-2.825437
-3.862073
other
In4Ag3Ge4Se16
27
82
762.13
mp-1178391
11.272404
11.11931
-2.431707
other
Cs1Li1W1O4
7
82
158.55
mp-753343
13.769688
8.467523
-0.951862
other
Li4V4Si4O16
28
82
364.1
mp-1228935
-4.1904
-1.433824
-5.968493
other
Al1In1Ag2S4
8
82
187.7
mp-1223360
7.852695
7.949089
-3.992194
other
K1P2N1O8
12
82
224.53