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-755941
10.384688
9.469827
3.176004
other
Sm6Ta2O14
22
63
304.49
mp-560029
10.244188
8.513062
3.003329
other
Y6Br2O8
16
63
276.32
mp-1080405
-7.069724
-5.513674
4.240933
other
Dy2Sn2Ge2
6
63
141.9
mp-1189436
-8.617411
-6.400278
4.689661
original
Pr4Zn10Sn2
16
63
335.1
mp-1095586
3.41395
-0.56667
-2.490999
other
Li2Ga2H8
12
63
135.54
mp-1078537
-2.647569
-2.814644
-5.566515
other
Pr2Lu2S6
10
63
231.78
mp-1207715
-6.545799
-2.49082
6.461651
other
Yb6Al60Re12
78
63
1,312.6
mp-18749
9.292497
5.587084
-6.453793
other
Ni2S2O8
12
63
126.7
mp-1211232
-7.681971
-3.176842
5.06717
other
La2Al6Ni4
12
63
201.7
mp-1205365
-8.680598
-6.344956
4.59094
other
La4Zn10Sn2
16
63
345.71
mp-1206177
-7.096364
-5.596303
4.313457
other
Y2Sn2Ge2
6
63
143.36
mp-1105849
-8.416003
-6.517578
4.791929
other
La4Zn10Pb2
16
63
361.03
mp-1046693
12.764264
10.026484
1.944385
other
Ca2Ti8O12
22
63
230.12
mp-996986
7.195428
11.291184
-0.764784
other
Li2Cu2O4
8
63
88.52
mp-756468
9.777977
8.542158
3.250015
other
Ca2Y4O8
14
63
203
mp-1102077
9.128146
0.897002
1.312237
other
Na2Al2F8
12
63
140.31
mp-1190471
-7.777717
-3.965371
2.982211
other
Ba2Sn12Ru6
20
63
489.08
mp-696580
10.532005
6.454161
-3.751779
other
Fe4H4O8
16
63
145.3
mp-1193443
-8.02615
-3.235356
5.264572
other
Nd4Ga18Co6
28
63
448.01
mp-1191966
-4.078346
1.639166
3.092198
other
Er6Re2B14
22
63
255.77
mp-754358
8.962255
6.797714
-3.992646
other
Zn2Se2O8
12
63
145.64
mp-1213083
-7.668663
-3.229439
5.701149
other
Dy4Al18Rh6
28
63
461.2
mp-560563
8.087908
10.132476
-0.161426
other
K6Pd4O8
18
63
318.36
mp-1212859
-5.223674
-3.658093
6.026043
other
Er6Co4Si6
16
63
280.66
mp-19190
8.14617
10.730887
0.616845
other
Sr2Ni2O4
8
63
119.27
mp-971806
-7.257824
-1.289844
5.536523
other
Tm2Fe2Ge4
8
63
141.82
mp-1188741
-5.53581
-2.756829
4.848411
other
Zr6Co4Si6
16
63
252.42
mp-1102540
-8.046096
-4.317666
5.074085
other
Nd2Ga8Ni2
12
63
210.54
mp-1180310
7.018441
6.344209
-3.314331
other
Na4S2O10
16
63
264.93
mp-752726
9.345869
8.443473
2.895017
other
Ba2La4O8
14
63
263.8
mp-1043246
7.526081
12.862011
-1.551361
other
Mn4Zn2O10
16
63
207.7
mp-20240
-8.20415
-5.610193
3.412855
other
Yb2In4Pd2
8
63
182.99
mp-1225362
10.533337
4.146708
-4.20575
other
Dy4C2O10
16
63
192.59
mp-10504
-7.848584
0.230826
4.62683
other
Sc2B8Os6
16
63
173.13
mp-759235
9.655106
0.459779
-0.264366
other
Li4Cu2F10
16
63
189.32
mp-28243
1.321578
2.591346
-5.744725
other
Rb2Li2Cl4
8
63
213.53
mp-4171
-4.975904
-3.746677
5.744206
other
Dy2Si4Ni2
8
63
128.36
mp-861576
7.327616
10.561742
-0.610554
other
Na12Co4O12
28
63
375.27
mp-9172
10.011946
12.074217
0.531749
other
Li8Ti2O8
18
63
176.68
mp-1095660
-7.683113
-6.008432
3.543414
other
Eu2In8Cu2
12
63
282.85
mp-11200
-7.640254
-9.187209
6.519627
other
La2Mg4Ni2
8
63
177.61
mp-18949
10.163987
12.093798
-3.974009
other
V2Fe2O8
12
63
142.22
mp-752687
5.278538
12.00875
-2.439115
other
Fe4O6F2
12
63
132.33
mp-757772
12.029862
11.205362
-2.025081
other
Sn2W6O18
26
63
376.52
mp-1192039
10.25766
9.507793
3.265212
other
Nd6Ta2O14
22
63
315.67
mp-1372100
7.952895
11.743638
0.959524
other
Sr6Cr6O18
30
63
364.73
mp-8742
-5.191743
-3.349001
5.972558
other
Dy2Co2Si4
8
63
127.94
mp-1025105
-7.037862
-4.537077
6.042523
other
Lu2Al2Ge2
6
63
114.54
mp-1043169
6.388776
11.601825
-1.761252
other
Mg2Co4O10
16
63
211.01
mp-755901
10.249819
9.444245
3.325866
other
Sm6Nb2O14
22
63
305.98
mp-1208007
-6.882009
-1.856388
6.576055
other
Tm2Al20Fe4
26
63
392.99
mp-1095481
12.441482
6.838841
-1.044382
other
Ti2Si2O8
12
63
135.68
mp-1078336
9.711918
0.429103
0.391944
other
Na2Co2F6
10
63
112.07
mp-9552
-6.029428
-0.484963
1.426558
other
La2Co10P6
18
63
235.49
mp-557107
13.506796
4.530835
-2.499105
other
Ni4B16O28
48
63
367.12
mp-1042710
12.054842
11.675188
0.464894
other
Mg2Cr8O12
22
63
231.54
mp-1192098
-4.174072
1.597325
3.179695
other
Dy6Fe2B14
22
63
248.5
mp-672336
-6.261813
-6.771555
2.994362
other
Li10Ca14Sn22
46
63
1,269.67
mp-549590
6.724397
5.684959
-3.255884
other
Rb2Cl2O4
8
63
173.34
mp-754160
8.641794
10.816834
-3.425005
other
Sc4Cr4O16
24
63
323.62
mp-1210648
-7.639168
-3.706577
5.229224
other
Mg4Mn2Ga6
12
63
202.82
mp-756726
11.309577
7.561819
-2.431469
other
Mn4Si4O14
22
63
279.35
mp-1078577
-7.747786
-3.250141
4.770983
other
Dy2Ni2Ge4
8
63
139.64
mp-1209723
8.755726
1.622784
1.6071
other
Np2Tl4F12
18
63
310.47
mp-3734
-5.014854
-3.793158
5.844635
other
Nd2Si4Ni2
8
63
137.35
mp-16493
-7.541062
-3.384475
5.888016
other
Y2Al4Co2
8
63
140.88
mp-1188987
-5.623866
-2.583184
4.968355
other
Hf6Co4Si6
16
63
242.26
mp-1246883
4.653912
2.235247
-3.130521
other
Cr2C12N18
32
63
530.24
mp-1245546
4.819553
2.250852
-3.088372
other
W2C12N18
32
63
532.25
mp-754437
7.781462
11.354156
-0.509448
other
Na6Co4O8
18
63
245.18
mp-637267
4.461193
2.152655
-3.046674
other
Eu2C12N18
32
63
483.5
mp-541070
-4.605797
-0.909162
-2.965814
other
Ta4Ni2Se10
16
63
370.99
mp-1079745
-8.592727
-4.901046
4.174763
other
Er2Ga4Pd2
8
63
143.5
mp-767780
10.270265
12.441615
-3.969743
other
K2V8O20
30
63
443.16
mp-571506
-4.955748
-4.293241
6.430878
original
Tm2Al2Si2
6
63
112.64
mp-1102039
-8.049866
-5.505434
4.515604
other
Ce2In8Ni2
12
63
273.42
mp-1173429
-1.155354
2.972777
-3.03511
other
Rb4Pt2I10
16
63
724.3
mp-1196118
8.5753
6.067109
-5.681292
other
Cs10S8O32
50
63
956.16
mp-1209823
-6.389738
-1.174722
1.076224
other
Ni4P2Pd2
8
63
94.69
mp-760698
7.644353
8.83795
-1.750961
other
Yb4Ti2O10
16
63
236.36
mp-1207964
-7.549973
-3.258973
5.647044
other
U4Al18Rh6
28
63
473.75
mp-867362
-6.207549
-6.874937
2.937715
other
K4Sr2In14
20
63
630.03
mp-1192224
-4.09318
1.562171
3.129353
other
Y6Mn2B14
22
63
252.81
mp-1079802
-7.702978
-3.341855
4.759428
other
Y2Ni2Ge4
8
63
140.61
mp-1101844
-8.038714
-4.261305
5.109225
other
Dy2Ga8Ni2
12
63
207.23
mp-1014257
0.662301
0.905689
2.751501
other
Ti6Zn2N2
10
63
135.51
mp-15684
-4.564126
-5.5702
0.447008
other
K4Cu2As2
8
63
222.25
mp-1042976
10.607403
11.78021
2.505217
other
Ca2Ti4O10
16
63
243.65
mp-640880
-7.353291
-2.826205
6.014237
other
Nd4Al18Co6
28
63
471.58
mp-753776
-3.69728
-1.31098
-5.563677
other
Li8Sb2S8
18
63
376.21
mp-1095516
-5.380581
-2.247305
-3.452995
other
K2Fe4Se6
12
63
279.12
mp-755054
12.435988
12.564098
2.646793
other
Ti6N4O6
16
63
183.62
mp-756114
11.511963
1.529188
2.643565
other
Fe8O2F14
24
63
298.73
mp-754073
10.240408
9.704049
3.391959
other
Lu4Ti2O10
16
63
224.61
mp-3379
8.4093
1.628573
0.851872
other
K4Sb2F10
16
63
266.68
mp-4288
-7.66931
-3.299975
4.768105
other
Tb2Ni2Ge4
8
63
140.69
mp-18706
-7.299924
-6.083741
5.919846
other
Y10Fe4Te4
18
63
463.56
mp-1205560
-4.559402
-5.369956
0.113065
other
Rb4As4Pd2
10
63
309.18
mp-9673
-4.676155
-5.105499
0.182548
other
K4Ni2As4
10
63
263.33
mp-1213794
-6.881855
-4.2901
4.97806
other
Ce2Cu4Si2
8
63
141.28