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-1207424
-8.340036
-5.71845
3.245342
original
Zr8In4Au8
20
136
407.11
mp-3680
-7.725412
1.051121
4.984963
other
Er8Fe56B4
68
136
900.15
mp-8081
8.710876
1.238007
0.882436
other
Na4Sn2F12
18
136
253.04
mp-1188107
-9.013028
-6.409227
3.332161
other
Tm8Sn4Au8
20
136
460.52
mp-1209014
8.810422
11.341949
-0.864149
other
Re2Rh4O12
18
136
192.69
mp-541669
10.948518
0.745032
1.423726
other
Li2Fe4F12
18
136
196.17
mp-27815
2.183758
2.792932
-4.417864
other
Nb4Cl12O4
20
136
484.27
mp-1247549
1.500403
1.822544
1.285287
other
Ca22V4N20
46
136
829.93
mp-602268
-7.41742
-4.980895
4.400507
other
Zr8In20Ni4
32
136
686.36
mp-1104609
-7.546417
-5.96812
2.87155
other
Ba2Cd8Pt4
14
136
320
mp-555112
9.783383
0.660999
0.056601
other
Li4Cr2F12
18
136
180.55
mp-1245390
1.631945
1.771367
1.219091
other
Ba22Si4N20
46
136
1,193.54
mp-1103857
-5.691998
-0.985383
1.917764
other
U2Mn8P4
14
136
210.76
mp-1247120
2.0645
2.425834
1.196782
other
Cd22C4N20
46
136
712
mp-510041
-7.48378
-3.323557
3.58015
other
Hf8Ni8Sn4
20
136
339.13
mp-1208293
9.143685
11.077382
-1.192249
other
Te2Rh4O12
18
136
209.33
mp-22097
8.997289
11.32127
-1.387467
other
Mo2Rh4O12
18
136
192.98
mp-13836
9.237319
11.517456
-0.97734
other
U2Rh4O12
18
136
212.68
mp-1179303
3.270043
-0.030879
-1.81554
other
Th12Mn46H32
90
136
1,013.2
mp-1104853
-6.443251
-1.898476
1.325771
other
Zr2Ni8As4
14
136
184.01
mp-759169
9.452269
0.700565
-0.426984
other
Li4Cu2F12
18
136
180.53
mp-754572
-1.220747
1.924221
-1.764207
other
Ba2Ca4I12
18
136
870.09
mp-19792
-6.87809
-0.059011
4.556821
other
Zr2Fe8Si4
14
136
186.75
mp-755588
9.868005
9.442392
0.426792
other
Ho4Te2O12
18
136
249.14
mp-753736
11.278811
11.615999
2.289145
other
Ta8Mn4O24
36
136
424.28
mp-7471
8.266874
12.235582
-0.497113
other
Li12Au4O12
28
136
293.22
mp-1104102
-6.448858
-2.09568
0.9096
other
Yb2Ni8As4
14
136
194.38
mp-1104799
-6.996544
0.118234
4.935437
other
Tm2Fe8Si4
14
136
186.44
mp-1245957
1.609329
1.806469
1.245281
other
Ca22Ti4N20
46
136
840.62
mp-3653
9.762669
10.08093
-0.564857
other
Mg2Sb4O12
18
136
201.37
mp-1198327
-7.683834
1.049818
5.023808
other
Gd8Fe56B4
68
136
912.02
mp-14698
-7.725619
1.046162
5.015626
other
Ho8Fe56B4
68
136
903.4
mp-1200125
-8.700417
0.108399
4.420117
other
Y8Co56B4
68
136
858.86
mp-1208583
2.076226
2.904842
-4.504932
other
Ta4Cl12O4
20
136
480.05
mp-698032
3.436766
-0.802318
-2.413253
other
Na12H28Ru4
44
136
468.07
mp-22439
9.685673
2.320127
1.346062
other
Li4Mo2F12
18
136
195.72
mp-603912
-2.958887
0.580547
2.658131
other
Nd8Mo4C8
20
136
352.2
mp-754520
7.516015
10.997793
-0.491545
other
Na12Co4O12
28
136
379.46
mp-613612
-7.371271
0.113423
4.920599
other
Yb2Fe8Ge4
14
136
200.93
mp-643010
3.093659
-0.674758
-2.381835
other
Cs4H8Pt2
14
136
339.26
mp-974713
3.167215
-0.53723
-2.289654
other
K4H8Pt2
14
136
252.38
mp-9753
8.842175
1.718642
1.379748
original
Na4Nb2F12
18
136
255.33
mp-7661
8.944943
1.16959
-0.391415
other
Li4Rh2F12
18
136
189.46
mp-1173683
7.21524
8.663178
-1.862555
other
Na12N4O8
24
136
415.33
mp-4800
1.841207
1.889974
1.271173
other
Ca22C4N20
46
136
767.17
mp-14127
-7.674281
0.977805
5.127676
other
La8Fe56C4
68
136
929.45
mp-632502
-7.1845
-3.170154
3.861961
other
Zr8In4Ni8
20
136
342.18
mp-1207957
-7.701532
1.025688
5.016794
other
Y8Fe56C4
68
136
887.51
mp-1208923
-6.753172
-7.658923
2.32484
other
Sr4Tl8Hg8
20
136
602.92
mp-1245375
1.576642
1.853986
1.171691
other
Ca22Cr4N20
46
136
823.61
mp-1183735
3.273471
-0.55779
-2.428268
other
Cs4H8Pd2
14
136
353.22
mp-1245685
4.635544
2.218134
-3.162857
other
Ru2C4N4
10
136
131.08
mp-756024
10.302837
11.504384
-0.767308
other
Cr4Sb8O24
36
136
437.57
mp-644494
3.336628
-0.564555
-2.487541
other
Rb4H8Pd2
14
136
294.95
mp-19894
11.323104
12.208327
-1.553726
other
Cr4W2O12
18
136
186.82
mp-3392
-6.622609
-7.587406
2.269193
other
Ba4Tl8Hg8
20
136
641.01
mp-753617
5.225612
11.870044
-2.494646
other
Fe4Co2O12
18
136
179.86
mp-863011
3.306616
-0.839929
-2.276215
other
Na12H28Os4
44
136
471.31
mp-1211639
-5.239552
-5.945496
0.73143
other
Li4Ca44Sb36
84
136
2,474.81
mp-1246655
1.963511
2.380518
1.225863
other
In22C4N20
46
136
858.54
mp-669575
-7.435891
-3.294648
3.973572
other
Hf8In4Ni8
20
136
333.76
mp-867660
7.111729
13.430908
-1.072386
other
Li12Co4O12
28
136
276.72
mp-21355
10.271008
12.654509
-1.39131
other
Cr4Te2O12
18
136
187.14
mp-505598
-6.075599
-1.076237
1.109848
other
Zr2Ni8P4
14
136
168.46
mp-1246536
0.504058
2.458962
1.892462
other
Co22C4N20
46
136
431.62
mp-680530
-6.887499
-6.163658
1.891958
other
Bi4Pt4Pb12
20
136
571.5
mp-1105187
-2.663285
-0.498439
-5.317456
other
Cu4P4S12
20
136
420.38
mp-557738
6.438688
9.756525
-1.380219
other
Li12Bi4O16
32
136
321.13
mp-540728
9.964236
8.903594
0.489576
other
K4Zn12O14
30
136
390.15
mp-8926
2.060049
2.308521
1.307644
other
Li6B2N4
12
136
110.1
mp-8570
-3.229046
-1.706192
-5.459532
other
Ba12Zr8S28
48
136
1,299.91
mp-1103507
-6.446918
-1.986162
1.017471
other
Ho2Ni8As4
14
136
192.54
mp-768915
8.257688
9.978906
-0.138977
other
Na12Au4O12
28
136
393.12
mp-772899
10.839801
11.403628
0.624738
other
Li12Zr4O12
28
136
325.48
mp-1104401
3.010827
3.146911
-4.397011
other
Pt2N4Cl8
14
136
302.27
mp-1104089
-6.446054
-1.826519
1.43974
other
Hf2Ni8As4
14
136
181.64
mp-866032
-5.946036
-1.252227
0.756425
other
Dy2Ni8P4
14
136
177.16
mp-1245381
1.561555
1.778328
1.218533
other
Ca22Os4N20
46
136
853.78
mp-1104766
-7.392117
-0.028315
5.041831
other
U2Fe8Ge4
14
136
202.42
mp-567492
-2.861179
0.623503
2.529945
other
Ce8W4C8
20
136
335.49
mp-1195895
-8.761929
0.094397
4.444019
other
Sm8Co56B4
68
136
857.34
mp-22010
10.770042
11.877819
2.531231
other
Ta4Cu2O12
18
136
210.69
mp-5861
-7.726476
1.047093
4.994221
other
Tm8Fe56B4
68
136
896.57
mp-1198085
-7.704758
0.96324
5.152475
other
La8Fe56B4
68
136
947.33
mp-1207593
-8.025837
-0.978367
4.613096
other
Yb2Co8Ge4
14
136
196.13
mp-1101457
6.085113
9.521904
-1.924545
other
Ni4Bi8O24
36
136
455.63
mp-1078818
3.216989
-0.728786
-2.104736
other
Mg4Ni2H4
10
136
124.93
mp-1104221
-5.990007
-1.252928
0.819309
other
Ho2Ni8P4
14
136
176.52
mp-31517
11.017542
11.873787
2.201513
other
Ta8Co4O24
36
136
408.7
mp-756389
9.933198
9.441817
0.772822
original
Lu4Te2O12
18
136
238.9
mp-757794
10.804589
11.436078
0.638539
other
Li12Hf4O12
28
136
318.43
mp-1105062
-5.986764
-1.246144
0.795253
other
Er2Ni8P4
14
136
175.36
mp-1246742
2.002081
2.44504
1.30685
other
Pb22C4N20
46
136
949.95
mp-5182
-7.729975
1.006765
5.090929
other
Nd8Fe56B4
68
136
933.42
mp-1197275
-7.692499
1.021191
5.016689
other
Tb8Fe56C4
68
136
897.01
mp-707337
3.261932
-0.509579
-2.336706
other
K24H24Pd8
56
136
1,234.49
mp-9906
-5.460313
-1.189901
3.9915
other
Y2Re8Si4
14
136
224.22
mp-1208215
11.791515
12.63627
-2.056688
other
Th2V4O12
18
136
224.91
mp-20247
-7.398506
0.126448
5.077371
other
Dy2Fe8Ge4
14
136
203.82
mp-777386
15.134021
12.530214
-0.844977
other
V6O8F4
18
136
192.62