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-1185663
-6.037517
-8.221306
5.639296
other
Mg16Al12Ga1
29
160
580.22
mp-1040784
12.781994
10.564564
0.258757
other
Ca2Mo4O8
14
160
205.57
mp-1044712
6.969272
9.474677
-1.535036
other
Ca2Ag4O8
14
160
205.81
mp-1048889
11.561938
12.919175
-0.231445
other
Mg2Cr4O8
14
160
153.61
mp-1219545
-5.119626
-1.912651
0.939683
other
Re4As6S3
13
160
245.62
mp-1223963
-5.343613
-5.716249
0.363758
other
In1Ga4Sb5
10
160
315.65
mp-1215394
-7.463405
-4.473218
3.956721
other
Zr3Ti1Zn8
12
160
198.91
mp-1222154
-7.916511
-4.406734
2.480009
other
Mg4Sn6Pt5
15
160
327.58
mp-1227383
-9.344667
-6.002168
3.872935
other
Ca2Al1Zn16
19
160
302.78
mp-1185661
-6.0422
-8.263767
5.732265
other
Mg16Al12Fe1
29
160
557.39
mp-1101031
9.766366
8.910423
-0.254278
other
U2Bi18O31
51
160
854.19
mp-1048922
12.797335
11.98884
-0.313784
other
Ca4V8O16
28
160
353.69
mp-757896
8.182758
14.418528
-1.368936
other
Li7Mn14O32
53
160
560.46
mp-674528
12.472797
8.648731
2.404171
other
Mg2Zr14O5
21
160
411.5
mp-1207212
-3.73521
-1.334848
-4.941171
other
Li1Hf1S2
4
160
70.89
mp-755693
10.084081
0.685452
0.416306
other
Li3Fe3F12
18
160
256.71
mp-1219475
-5.595556
-3.638354
-2.097377
other
Sb2Te2Se1
5
160
161.09
mp-1224045
-4.754789
-4.930731
0.070726
other
In1Ga5As4
10
160
254.07
mp-1228266
12.94969
7.920922
0.71283
other
Al6C1O7
14
160
148.12
mp-1223090
-8.729495
-0.106975
4.522385
other
La2V1Co16
19
160
249.12
mp-755947
-5.378685
-0.123313
-5.793051
other
Li3Cr4S8
15
160
272.95
mp-1070665
6.454797
6.307845
-3.815545
other
N1Cl1O3
5
160
103.6
mp-1025204
-4.740548
-0.915236
-5.741414
other
Al2Fe1S4
7
160
138.13
mp-1185483
-6.193971
-8.271278
5.794868
other
Lu1Mg16Al12
29
160
589.65
mp-1224920
-8.725636
-0.334521
4.85962
other
Gd3Y3Co18
24
160
343.7
mp-1216143
-8.486919
-7.7796
5.740198
other
Y2Mg3Zn3
8
160
168.4
mp-1048872
11.411612
12.835399
-0.145377
other
Zn2Cr4O8
14
160
154.86
mp-2210700
12.738315
10.591228
0.565022
other
Mg1V1O2
4
160
42.27
mp-552552
8.995954
3.983488
-7.335777
other
Na4C1O4
9
160
132.38
mp-1185659
-6.064199
-8.434638
5.633335
other
Mg16Al12Cu1
29
160
579.56
mp-998230
1.391137
2.333147
-5.342788
other
Li1Sn1Cl3
5
160
130.68
mp-27917
12.121516
6.732027
0.306427
other
Ca9Si3O15
27
160
374.5
mp-1185730
-6.194121
-8.259618
5.786516
other
Mg16Ta1Al12
29
160
571.19
mp-530381
12.625154
7.784944
-0.290294
other
Al16Co8O32
56
160
547.81
mp-1215930
-5.948243
-3.786662
-1.712862
other
Y1Bi1Te3
5
160
177.26
mp-1096798
10.393293
8.834724
3.059884
other
Sc1Ag1O2
4
160
54.28
mp-1220620
-4.266324
0.210846
-3.941718
other
Nb3W1S8
12
160
243.75
mp-1219212
-7.473848
0.520882
5.239497
other
Sm2Al4Fe13
19
160
267.52
mp-1223843
-5.944091
-3.793679
-1.763172
other
Ho1Bi1Te3
5
160
176.99
mp-1225465
-7.949466
-6.648911
6.656651
other
Dy13Mg7Co4
24
160
601.45
mp-1215390
12.245304
9.087529
2.335375
other
Zr4Br4O1
9
160
221.61
mp-757100
-5.557122
-0.607831
-4.355619
other
Li1Co1S2
4
160
62.82
mp-1185707
-5.903446
-8.430973
5.620347
other
Mg16Al12Se1
29
160
586.32
mp-558608
10.809079
11.526605
2.485478
other
Nb6Pb3O18
27
160
376.67
mp-1221410
-5.288289
-1.540166
-3.465885
other
Na1V2Se4
7
160
164.14
mp-1218035
-7.081914
-0.694634
4.000319
other
Ta3Al1Co8
12
160
151.15
mp-1219646
-0.176756
0.33404
-3.220534
other
Sc19Ru4Br28
51
160
1,417.89
mp-1185745
-6.365956
-8.363044
5.85568
other
Mg16U1Al12
29
160
587.98
mp-1173573
10.55188
12.39548
-2.177531
other
Sc10V10O37
57
160
619.23
mp-1215750
-7.23187
0.286575
4.95048
other
Zr3Fe8Si1
12
160
167.75
mp-1185176
-6.286203
-8.357697
5.866218
other
La1Mg16Al12
29
160
600.34
mp-1226369
-5.048322
0.057145
3.091141
other
Cr3Mo2C4
9
160
89.3
mp-1224030
7.31399
10.803572
-1.105304
other
In1Cu1O3
5
160
58.74
mp-1215720
-7.386264
0.180361
5.115185
other
Zr3Al1Fe8
12
160
171.33
mp-1185671
-5.967031
-8.265503
5.618152
other
Mg16Al12Ge1
29
160
581.58
mp-1096875
11.144421
12.843249
-0.397231
other
Cr4Ag4O8
16
160
195.46
mp-39091
7.168497
13.162755
-1.857149
other
Co4Cu2O8
14
160
142.83
mp-765468
6.968632
13.51654
-1.913065
other
Zn3Co9O16
28
160
275.29
mp-568587
-5.689466
-2.014369
-4.061861
other
Cr1Cu1Se2
4
160
77.5
mp-1185719
-6.054179
-8.362947
5.666507
other
Mg16Al12Zn1
29
160
579.32
mp-1044610
6.962003
9.591602
-1.548841
other
Mg2Ag4O8
14
160
181.85
mp-625051
10.861464
4.342355
-3.886707
other
Na1H1O1
3
160
31.96
mp-530284
12.611722
7.778329
-0.320537
other
Al16Co8O32
56
160
547.3
mp-1218986
-5.750975
-3.684026
-1.765191
other
Sm1Sb1Te3
5
160
176.95
mp-34891
8.070029
14.11388
-1.659224
other
Li2Mn15O32
49
160
562.3
mp-1224825
-6.17705
-3.07462
-2.332992
other
Ga1Cu1Te2
4
160
113.58
mp-774191
10.555777
0.661005
0.198379
other
Fe3O1F7
11
160
152.87
mp-1184744
-6.212389
-8.216784
5.798572
other
Hf1Mg16Al12
29
160
575.21
mp-1044704
10.903176
9.276258
0.510456
other
Ca2Sn4O8
14
160
224.45
mp-1048911
6.695198
13.542919
-1.695509
other
Mg2Co4O8
14
160
149.8
mp-2225574
8.998085
14.867372
-0.462269
other
Mg1Mn2O4
7
160
81.23
mp-1224685
9.023666
7.439832
-4.115476
other
Ge7H4O22
33
160
493.99
mp-759230
12.549778
7.497994
0.5702
other
Na1Al11O17
29
160
305.35
mp-551690
8.370914
4.338351
-6.525096
other
Rb4C1O4
9
160
202.95
mp-982005
-6.280204
-8.350426
5.874225
other
Th1Mg16Al12
29
160
596.95
mp-1224350
-5.687983
-3.505553
-2.096383
other
Ge1Sb2Te4
7
160
223.51
mp-1227012
-8.656201
-0.437178
4.75542
other
Ce2Mg1Co9
12
160
169.99
mp-1225766
-7.792536
0.205176
5.721916
other
Dy3Th3Fe18
24
160
380.86
mp-1227356
-5.132421
-3.523039
-2.808226
other
Bi2Te1Se2
5
160
159.8
mp-1187743
-6.226289
-8.261491
5.790485
other
Tm1Mg16Al12
29
160
590.22
mp-30934
-2.451864
-0.253573
-4.591298
other
As1S24I3
28
160
835.58
mp-861852
7.062866
13.552849
-1.911533
other
Zn5Co19O32
56
160
544.66
mp-2218279
6.48168
13.505753
-2.259801
other
Mg1Co4O8
13
160
134.96
mp-1222293
-5.950933
-3.759714
-1.762755
other
Lu1Bi1Te3
5
160
175.35
mp-1225550
-5.756062
-3.656197
-1.793797
other
Dy1Sb1Te3
5
160
172.08
mp-1220664
-6.361054
-1.066407
4.20748
other
Nb3Al1Cr8
12
160
164.32
mp-1217525
-7.758675
1.031756
5.088235
other
Tb1Nd1Fe17
19
160
253.24
mp-22958
6.849557
6.088578
-3.137645
other
K1Br1O3
5
160
83.96
mp-1048882
12.821894
10.077145
0.356595
other
Mg2W4O8
14
160
172.08
mp-2210666
11.75456
11.567139
0.202418
other
Mg1Mn1O2
4
160
43.19
mp-2224279
10.716793
12.489035
-0.669066
other
In1Fe2O4
7
160
85.69
mp-1221761
-6.712292
-0.365214
3.583534
other
Mn3Fe3Si2
8
160
88.63
mp-1246843
1.391208
2.215869
1.464045
other
K1Ni1N1
3
160
46.98
mp-1185651
-6.044304
-8.393911
5.671205
other
Mg16Al12Cd1
29
160
586.7
mp-34541
-3.695962
-4.374832
0.927854
other
Li31Zr2P13
46
160
686.12
mp-1185722
-6.025514
-8.363944
5.743756
other
Mg16Be1Al12
29
160
574.69
mp-760980
-4.844697
-1.419007
-5.784657
other
Fe1Cu5S4
10
160
161.16
mp-559734
8.596753
2.109411
0.55023
other
U3O3F12
18
160
285.87
mp-1217585
-7.688291
0.037798
5.805389
other
Tb1Dy3Fe8
12
160
193.61
mp-1018020
-5.489494
-1.686821
-3.374791
other
Ni1Ag1Se2
4
160
79.46