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-1189600
8.275475
7.504645
-4.667256
other
Mo2P2O14
18
11
299.29
mp-558248
10.819783
11.443284
3.236976
other
Pr2Ta6O18
26
11
338.27
mp-1120721
-0.409628
1.19095
-4.601219
other
Rb2Ge2Br6
10
11
359.33
mp-1274483
6.312946
12.605014
-1.296212
other
Na4Ni4O8
16
11
164.13
mp-28421
-1.230156
3.030282
-3.069508
other
Cs4Hg2I8
14
11
710.85
mp-771106
13.283496
5.915491
-6.823798
other
Dy4P12O36
52
11
744.7
mp-504359
14.689322
7.962605
-5.79415
other
Cr12P14O48
74
11
911.72
mp-26978
11.925651
7.909767
-7.95458
other
Mn4P6O20
30
11
370.7
mp-1103823
-3.086329
-2.24641
-5.396268
other
Yb4Ge2S8
14
11
316.58
mp-1358927
9.873873
0.874474
-0.259768
other
Mn6Al2F30
38
11
536.9
mp-1390297
11.039919
10.766545
0.653387
other
Ca4Mn4O8
16
11
204.11
mp-1041695
9.052564
2.537632
0.743861
other
Y2Mo6F30
38
11
599.95
mp-1079427
8.470163
9.812746
0.126496
original
Na4Cu2O4
10
11
130.82
mp-8848
-5.703171
-2.11206
-1.432541
other
Ta2Fe2Te6
10
11
276.83
mp-753673
7.8932
2.541917
0.905303
other
Bi8O8F8
24
11
386.91
mp-766437
12.118608
11.939667
1.992833
other
Mg2Ti10O20
32
11
369.14
mp-28665
-5.409159
-3.112951
5.984678
other
Nd2Si4Ru2
8
11
148.02
mp-29824
-0.932482
0.983732
-1.671486
other
La6Ru2I6
14
11
526.31
mp-27369
1.470921
2.604688
-5.773253
other
Rb2Ge2Cl6
10
11
311.87
mp-30151
-4.602586
-2.32151
-3.815973
other
Cu2Au2Se8
12
11
269.97
mp-1100836
8.930504
7.046497
-3.039614
other
Yb2B2O6
10
11
131.26
mp-866834
-3.382042
-1.768384
-5.620026
other
Ca4Sn2S8
14
11
356.06
mp-505155
-5.742333
-1.064584
2.381232
other
U2Cr10P6
18
11
245.66
mp-1102784
8.157292
7.692598
-4.371348
other
Rb2P2O8
12
11
233.27
mp-27008
13.087812
7.85398
-7.172667
other
Fe4P6O20
30
11
359.31
mp-1047451
8.697779
1.691374
0.608467
other
Ti6Al2F30
38
11
548.21
mp-779389
6.710524
5.754211
-3.287405
other
Cs2Cl2O6
10
11
236.15
mp-30145
-4.7067
-3.053146
-3.495952
other
Rb4Bi16Se26
46
11
1,472.8
mp-1079758
12.207714
6.186609
-0.541861
other
Tb2H2O4
8
11
89.33
mp-1079290
5.422455
3.231451
-3.539016
other
C6I2N2
10
11
272.25
mp-989646
0.909977
2.581446
1.786309
other
La2W2N6
10
11
170.6
mp-755985
7.241399
9.734067
-0.026994
other
Eu6Re2O16
24
11
322.92
mp-26152
11.500221
8.342839
-7.330489
other
V2P10O30
42
11
620.4
mp-574279
-4.726642
-2.799901
-4.060687
other
Tl2In10Se14
26
11
711.58
mp-1195295
10.940036
12.442771
-0.313085
other
Ca4Fe20O28
52
11
574.39
mp-1178482
7.107357
13.175514
-1.662639
other
Cd4Co8O16
28
11
334.98
mp-1643730
8.952991
12.387493
-0.087086
other
Li24Ni4O16
44
11
406.72
mp-756760
13.240301
7.930511
-6.091155
other
P10W2O30
42
11
640.78
mp-21190
10.182149
5.025227
-6.040786
other
Pb2S2O6
10
11
154.01
mp-1245335
1.590832
1.816602
1.180659
other
Sr40Fe8N32
80
11
1,870.1
mp-561489
10.058337
9.364934
-2.038578
other
Ag4Te4O12
20
11
274.18
mp-29037
10.967039
12.388881
-3.598876
other
Ba2V6O16
24
11
325.12
mp-1191044
3.256575
-0.777505
-2.162064
other
Ba2Re2H18
22
11
195.24
mp-1025461
7.982158
5.682836
-3.759004
other
Pr2Br2O4
8
11
150.46
mp-1025493
7.550462
8.659142
-2.456623
other
Ho2Cl2O4
8
11
132.84
mp-766100
12.546427
11.689225
1.981506
other
Mg2Ti22O40
64
11
757.81
mp-5426
-4.503393
1.535478
3.204986
other
Er2B6Mo2
10
11
113.03
mp-754494
-0.230408
0.740153
-3.681563
other
Ba2La2Br10
14
11
542.06
mp-26636
14.850102
8.677349
-5.288468
other
V4P6O20
30
11
363.8
mp-556582
7.53786
6.589051
-3.13162
other
Cu2I4O12
18
11
256.76
mp-1277121
8.496255
10.780018
-2.786989
other
Sr6Cr4O16
26
11
375.86
mp-755605
9.140751
3.604386
-6.772065
other
Tb4C4O12
20
11
209.95
mp-1181550
9.189555
5.031568
-5.706048
other
K4S4O10
18
11
379.61
mp-23495
-0.305379
1.219158
-4.530257
other
K4Zn2Br8
14
11
466.17
mp-632348
7.725613
8.325387
-2.907193
other
Yb2H2O4
8
11
89.64
mp-675369
6.805446
6.500402
-3.81152
other
Na2N2O4
8
11
130.17
mp-1079326
7.364963
8.697329
-2.209418
other
Gd2Cl2O4
8
11
140.97
mp-29716
-0.789013
1.140048
-3.965222
other
Ta2Te2Br18
22
11
782.8
mp-760510
9.384531
8.555159
0.312663
other
Sr4Bi4O10
18
11
341.55
mp-780639
10.387488
1.783103
2.191938
other
Li2Fe2F6
10
11
117.4
mp-997047
6.515682
5.810207
-3.879851
other
Ag2Br2O4
8
11
166.66
mp-634657
-3.033084
-1.375476
-5.605764
other
Na2H2S2
6
11
101.44
mp-765721
12.010898
12.824123
-1.72119
other
Na8V6O16
30
11
349
mp-27939
13.352918
5.942345
-6.850586
other
Er4P12O36
52
11
729.27
mp-1228853
-6.995474
1.475329
-4.166184
other
In6Mo30Se38
74
11
1,697.07
mp-676751
-5.579449
-0.079881
-5.666895
other
Cr10Ag2S16
28
11
524.82
mp-685957
-5.034395
-4.613235
0.342573
other
Pr6Zn4As12
22
11
535.9
mp-753650
1.101343
1.664159
-5.177461
other
Ba2La2Cl10
14
11
464.35
mp-772582
11.482802
10.986942
-2.23049
other
Sr6W4O18
28
11
633.42
mp-3488
10.71982
12.309405
2.277935
other
Na4Ti6O14
24
11
289.75
mp-27723
8.759818
6.942039
-3.462922
other
U2Se2O10
14
11
214.53
mp-733415
7.919055
5.713865
-3.724807
other
Sm2Cl2O4
8
11
134.1
mp-1200447
-2.649987
-2.707762
-5.433947
other
La8Y8S24
40
11
956.48
mp-1210096
-8.129434
-4.354194
3.506612
other
Pr4In8Pt8
20
11
425.39
mp-1213550
-6.187569
-1.239881
0.829903
other
Eu4Ni24P10
38
11
502.01
mp-1101933
6.422533
5.934412
-3.568249
other
Ag2Cl2O8
12
11
170.66
mp-1202288
-2.72176
-2.793665
-5.163492
other
Ce8Er8S24
40
11
907.28
mp-818626
9.157653
10.41522
-3.180027
other
Y2W4O18
24
11
346.01
mp-1193602
7.726276
11.435053
-0.075479
other
Ca6Rh6O18
30
11
335.79
mp-561531
12.352379
6.556333
0.276899
other
Y4Si4O14
22
11
296.46
mp-1211403
-1.143432
2.724438
-2.612861
other
K4Zn2I8
14
11
592.41
mp-1247434
1.840914
2.432171
1.038002
other
Re2Pb6N6
14
11
310.42
mp-568603
-4.773969
-2.647774
-4.075535
other
In10Se10Cl2
22
11
613.48
mp-768307
10.304523
4.710241
-5.960399
other
Ba2S2O6
10
11
171.06
mp-36903
6.292107
4.938144
-4.476269
other
K2N2O6
10
11
172.7
mp-556290
8.595096
0.886378
1.726601
other
Sr12Mg12F48
72
11
1,029.86
mp-569812
4.817788
2.872308
-3.344923
other
Ba2N6Cl2
10
11
196.73
mp-4578
-3.20599
-1.626521
-5.562428
other
Sr4Ge2S8
14
11
355.93
mp-1197152
-2.68726
-2.835761
-5.493786
other
Nd8Tm8S24
40
11
907.45
mp-1048029
8.304275
7.945071
-4.489585
other
Ni6P6O26
38
11
495.27
mp-1179810
7.320473
8.005776
-2.877626
other
Pr2Cl2O4
8
11
159.03
mp-504427
10.632762
12.131025
2.097275
other
Ti6Pb2O14
22
11
268.63
mp-1247209
1.247487
2.007889
2.34811
other
Ta6Mn2N12
20
11
208.9
mp-1041588
9.262811
2.654612
1.013442
other
Y2W6F30
38
11
641.28
mp-1101130
13.994572
5.177205
-7.046171
other
Th8P12O46
66
11
977.58
mp-768963
1.093727
1.687264
-5.13597
other
Sr2La2Cl10
14
11
417.2
mp-1179445
7.257298
8.491708
-1.24146
other
Sm6Ge2O16
24
11
347.89
mp-754999
1.093512
1.711522
-5.170313
other
Sr2La2Cl10
14
11
432.98
mp-1006588
10.194189
9.090305
0.161166
other
Zn12In8O24
44
11
580.44
mp-1213004
-0.93927
0.929648
-1.545995
other
Er6Ru2I6
14
11
443.25