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-12487
-5.968755
-3.681248
-1.895036
other
Cs2Dy2Cd2Te6
12
63
469.98
mp-1213051
-5.955022
-3.631095
-1.971591
other
Cs2Yb2Zn2Te6
12
63
455.07
mp-1198358
11.816436
6.755171
-2.913278
other
B4Pb12W2O24
42
63
737.26
mp-1220869
11.715311
10.663852
2.674521
other
Na1Sr1Nb2O6
10
65
132.05
mp-1218504
9.72214
10.78326
3.577177
other
Sr5Zr1Ti4O15
25
65
319.15
mp-1272771
10.639712
2.440579
1.80146
other
Li2Fe2O2F2
8
65
80.51
mp-1520427
7.747254
8.731959
0.567311
other
Na1Eu1Hf2O6
10
65
133.47
mp-1218399
7.34484
10.936856
1.193855
other
Sr4Fe1Ru1O8
14
65
198.65
mp-1223349
8.719216
0.935639
1.21026
other
K2Rb4Si2F14
22
65
370.25
mp-1214577
7.170444
9.726568
1.072065
other
Ba2Sm1Cu4O8
15
65
211.99
mp-1520332
11.388874
10.504054
2.656648
other
La1Ti2Ga1O6
10
65
121.81
mp-1274243
6.029824
10.272607
0.076161
other
Sr4Fe2Sn2O12
20
65
261.78
mp-1228100
9.735409
9.625463
3.892338
other
Ba4Ca1Zr5O15
25
65
379.42
mp-1224040
9.010328
0.334324
0.828061
other
K4Mg1Cu3F12
20
65
275.69
mp-1522153
9.381942
8.736798
3.29091
other
Ba1Ce2Eu1O6
10
65
172.15
mp-2228454
10.146313
9.057377
2.557006
other
La4Mg1Fe1O8
14
65
196.35
mp-686499
6.169951
8.857976
-0.541205
other
Ba32Sb7Pb25O96
160
65
2,605.61
mp-1226909
9.245036
7.981962
-0.518631
other
Cd1Bi8Br10O8
27
65
638.73
mp-1522741
7.779976
8.682378
-0.435804
other
Sr1Hf4Sn1O12
18
65
265.71
mp-1220656
-7.709111
1.004854
5.093273
other
Nd8Fe56B2C2
68
65
935.42
mp-6789
7.321339
9.765593
0.695616
other
Ba2Y1Cu4O8
15
65
216.7
mp-560605
8.935625
9.003607
2.311107
other
Li1La4Au1O8
14
65
209.82
mp-1094081
7.398314
11.590705
0.786854
other
Rb2Ce2Fe4O11
19
65
248.73
mp-1518948
10.537081
11.818097
3.354213
other
Na1Nd1Nb4O12
18
65
253.59
mp-753602
8.930025
13.986056
-0.027948
other
Li12Mn4O8F8
32
65
294.32
mp-2224844
9.35219
8.974366
2.743643
other
La4Mg1Co1O8
14
65
193.94
mp-1521580
10.496194
11.686837
3.355929
other
Ba1Ca1Nb4O12
18
65
260.78
mp-1211827
-7.418828
-5.771448
3.892069
other
Li2La3Ni2Sn7
14
65
327.12
mp-1229170
8.65498
0.851276
1.283667
other
Cs4K2Si2F14
22
65
411.48
mp-1222363
9.797134
8.768186
3.037261
other
Li1La4Al1O8
14
65
184.34
mp-1277483
8.045723
9.900819
2.176681
other
Li4La16Co4O32
56
65
743.75
mp-6205
7.186727
9.729527
1.063991
original
Ba2Ho1Cu4O8
15
65
207.53
mp-19445
7.990362
10.075922
2.151359
other
Li1La4Ni1O8
14
65
184.27
mp-753080
12.724837
12.366922
-0.323714
other
Li12V4O8F8
32
65
294.14
mp-1188137
-0.726285
1.302339
-4.961746
other
Cd4Hg4S4Br4
16
65
484.13
mp-1213870
3.756255
1.935868
-0.316035
other
Ce4C2N6Cl2
14
65
244.75
mp-1191246
2.894177
-0.615033
-1.72412
other
La2Al1Ni9H12
24
65
219.2
mp-1228129
9.215026
9.088501
1.764981
other
Ba4In1Sb1O8
14
65
241.67
mp-1518757
10.949422
9.855229
3.463638
other
Eu1Zr2Sn1O6
10
65
142.34
mp-2228439
9.346911
9.107808
2.663938
other
La4Mg1Ni1O8
14
65
192.19
mp-1521868
5.855613
11.319386
-1.434525
other
Sm1Dy1Ni4O12
18
65
209.98
mp-1518054
10.962174
11.204215
3.117926
other
Ba1Nd1Nb4O12
18
65
261.35
mp-1208226
-7.511793
-5.237782
4.51543
other
Th2Al4Si2Au3
11
65
220.1
mp-1218412
8.895666
10.65731
2.496722
other
Sr4Ta1Fe1O8
14
65
203.31
mp-21496
8.305042
9.478224
2.404494
other
Li1La4Cu1O8
14
65
185.94
mp-1222446
10.365767
11.700666
3.064929
other
Li1La2Nb8O24
35
65
508.27
mp-1218333
9.576674
11.162105
1.175753
other
Sr4Fe1Mo1O8
14
65
202.88
mp-1290975
9.04995
11.169411
1.904542
other
Ba4Y2Mn6O14
26
65
381.16
mp-6583
7.218789
9.7316
1.031244
other
Ba2Er1Cu4O8
15
65
206.97
mp-1645234
10.792211
10.546471
0.986648
other
Sr10Mn2Fe8O20
40
65
574.83
mp-1519923
9.358616
12.082757
-4.152905
other
Na1Li1V4O12
18
65
209.44
mp-2228535
9.6814
9.364899
2.48579
other
La4Mg1Ni1O8
14
65
228.68
mp-1223517
-6.038725
-2.049355
1.179022
other
K1Ba1Fe4As4
10
65
197.7
mp-2226706
10.686212
9.215789
2.339929
other
La4Mg1Mn1O8
14
65
212.55
mp-2218648
7.753427
9.821399
1.023854
other
Sr2Mg1Cu4O6
13
65
170.33
mp-1519544
10.876951
9.884812
3.538323
other
Sr1Zr2Sn1O6
10
65
143.27
mp-1521168
11.941818
10.522944
1.251866
other
Ce1Pr1V2O6
10
65
123.01
mp-1227727
5.270963
10.830627
-1.188452
other
Ba1Sr4Fe5O15
25
65
306.33
mp-1226921
9.503545
8.093864
-0.745712
other
Cd1Bi8Cl10O8
27
65
556.19
mp-1279234
7.229029
11.616384
2.138116
other
Ba4La2Mn4O14
24
65
336.75
mp-567756
4.833338
2.089079
-2.001111
other
La4C2N6Cl2
14
65
257.84
mp-1298961
8.043259
9.905118
2.178647
other
Li4La16Co4O32
56
65
742.46
mp-1290829
9.183051
11.138241
1.874065
other
Ba4Y2Mn6O14
26
65
382.57
mp-1228315
7.181283
9.769673
1.116418
other
Ba4Y2Cu7O15
28
65
389.18
mp-1218516
7.695313
10.924287
1.611939
other
Sr4Mn1Ru1O8
14
65
199.8
mp-759067
13.279223
12.622887
-0.566358
other
Li8V4O8F4
24
65
215.6
mp-1223203
8.091387
11.466004
2.161734
other
La4Sm1Mn5O15
25
65
304.51
mp-1217647
-7.507987
-1.140893
4.40618
other
Ti16Mn6B16Ru36
74
65
920
mp-1227197
-7.741197
1.010339
5.072863
other
Ce2Nd6Fe56B4
68
65
926.4
mp-704632
7.327484
11.218721
1.222804
other
Ba2Sm2Fe4O11
19
65
250.22
mp-1517665
11.586535
9.462725
2.884449
other
Sm1Eu1Hf2O6
10
65
135.02
mp-1521140
9.860518
9.612647
3.999316
other
Ba1Sr1Zr2O6
10
65
150.95
mp-1226147
8.623062
0.826328
1.292359
other
Cs4Rb2Si2F14
22
65
425.89
mp-1518427
7.140288
8.78934
-1.761932
other
Ba1Eu1Sn4O12
18
65
309.49
mp-1519418
5.357364
10.596765
-2.017619
other
Nd1Sm1Fe4O12
18
65
220.01
mp-1226636
-9.211891
-1.313828
4.234021
other
Ce1B2Ir2Rh1
6
65
82.78
mp-1226156
-7.730389
1.054197
5.033905
other
Dy8Fe56B2C2
68
65
904.63
mp-1517137
11.038605
9.26961
0.711022
other
Ca1Pr1Sb2O6
10
65
149.64
mp-1227868
-6.116002
-2.065968
1.205089
other
Ba1Na1Fe4As4
10
65
191.23
mp-1521649
10.495233
9.901072
3.644501
other
Ba1Zr2Sn1O6
10
65
150.5
mp-1078922
-4.530668
-1.02343
-5.667789
other
Cu2Si1Ni1S4
8
65
141.1
mp-20509
7.262832
9.859024
0.789271
other
Ba2Y1Cu4O8
15
65
217.28
mp-6779
7.168159
9.698343
1.002048
other
Ba2Pr1Cu4O8
15
65
214.4
mp-1294847
11.843155
10.997477
0.568712
other
Sr4V2Mo2O12
20
65
255.85
mp-2225330
9.010577
9.920379
0.84804
other
Sr1Mg1Cu2O3
7
65
137.28
mp-1208229
-7.976936
-5.358662
4.162212
other
Th2Al8Si2Au5
17
65
330.26
mp-704634
7.325438
11.181557
1.231924
other
Ba2Nd2Fe4O11
19
65
253.59
mp-1272721
6.020751
10.219713
0.035836
other
Sr8Fe4Sn4O24
40
65
527.86
mp-558325
10.549531
11.677619
3.319887
other
K2Y1Nb5O15
23
65
322.59
mp-756904
8.839453
9.42201
2.544829
other
Li2La8Fe2O16
28
65
379.68
mp-643471
8.296895
9.444589
1.388274
other
Ba2Y1Cu4O6
13
65
203.5
mp-754290
9.150951
9.420803
2.767334
other
Li4La16Mn4O32
56
65
756.72
mp-1226996
9.495238
8.11912
-0.719069
other
Cd1Bi12Cl14O12
39
65
801.03
mp-561891
6.77004
5.878697
-3.493434
other
Ag1C1N1O1
4
65
53.32
mp-1520656
7.707215
8.728972
0.718789
other
Na1Eu1Zr2O6
10
65
138.27
mp-6710
7.199748
9.740209
1.084917
other
Ba2Tm1Cu4O8
15
65
200.22
mp-1214651
7.504436
11.783158
2.13524
other
Ba2La2Mn4O11
19
65
255.3
mp-1228035
10.291463
10.664393
2.905817
other
Ba5Ti4Mo1O15
25
65
334.45
mp-1521493
10.212394
12.488034
-3.423883
other
Eu1V4Sn1O12
18
65
230.52
mp-1522927
5.338433
10.373343
-2.272126
other
Sr1Dy1Fe4O12
18
65
220.53