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-10497
-0.947365
0.751983
0.79517
other
Sr2C4
6
15
115.96
mp-570355
1.81847
2.645836
-4.922792
original
Pb2Cl8
10
15
323.84
mp-1209717
8.232619
2.334453
-0.886153
other
Ti2F12
14
15
382.02
mp-1104937
-8.307554
-6.741851
7.163259
other
Pr10Ru4
14
15
407.32
mp-632532
-3.101648
-2.305222
-5.13183
other
Yb4S6
10
15
224.3
mp-569059
-1.241325
2.013532
-2.418929
other
Hf4I16
20
15
869.12
mp-567907
3.74876
2.765558
0.724181
other
P6N10
16
15
195.84
mp-1213323
0.68338
1.018605
-3.624628
other
Dy12Cl26
38
15
911.31
mp-753435
10.296959
0.435777
-0.040041
other
Mn4F14
18
15
253.28
mp-7317
-7.953622
-6.748189
7.166669
other
Sm10Co4
14
15
363.79
mp-1283030
12.610591
11.368156
0.120568
other
Fe4O4
8
15
85.83
mp-757410
10.130373
2.484345
0.361616
other
V2F8
10
15
148.2
mp-30523
-5.467238
-2.194177
3.226377
other
Ta24As8
32
15
549.37
mp-1214262
7.527582
2.696988
-2.888488
other
C40F48
88
15
1,174.58
mp-1977753
7.134109
8.329205
-1.400885
other
Y2O4
6
15
110.2
mp-569561
1.978164
2.669549
-4.54545
other
Te8Cl32
40
15
1,273.41
mp-755453
-4.768786
-1.799742
1.076279
other
Mn4P16
20
15
300.76
mp-27436
1.509472
2.297789
-4.935487
other
Pa2Cl10
12
15
384.88
mp-287
8.727615
2.478807
1.915557
other
U6F24
30
15
467.79
mp-985608
8.331169
5.579537
-3.283655
other
Nd4O10
14
15
197.68
mp-755137
6.23596
9.075969
-1.320014
other
Bi2O4
6
15
105.46
mp-1104500
-8.53986
-6.49209
6.823766
other
Sm10Ir4
14
15
388.12
mp-1197742
-6.002909
-3.31732
-2.010159
other
In12Te30
42
15
1,558.3
mp-22749
-6.19451
-0.078772
3.45056
other
Mn10C4
14
15
128.88
mp-1096965
0.694151
3.086696
1.511611
other
Cr28N56
84
15
1,915.16
mp-1096909
0.691991
3.076229
1.547009
other
Cr4N8
12
15
271.42
mp-1182499
-3.01715
1.54198
2.776514
other
B20I4
24
15
377.18
mp-1080323
-4.271442
-4.46827
-3.432334
other
Ce6Se12
18
15
595.72
mp-1104417
-7.920044
-6.139413
6.50522
other
La10Ru4
14
15
420.96
mp-556754
12.751838
11.381843
1.858211
other
Ti6O10
16
15
171.26
mp-1179375
8.978229
2.074011
1.408609
other
Ti2F6
8
15
149.7
mp-1272524
12.222348
12.044776
0.513949
other
Cr4O4
8
15
100.74
mp-704645
7.581765
10.713953
-0.979577
other
Cu2O2
4
15
44.49
mp-574498
-5.145013
-6.37525
0.910881
other
Cs6Bi4
10
15
532.2
mp-1182923
12.81268
7.383306
0.795482
other
Al4O6
10
15
118.53
mp-684623
-2.77193
-0.162825
2.691727
other
Zr20C18
38
15
524.93
mp-1001
1.872378
1.987445
1.130151
other
Ba2N4
6
15
112.76
mp-1075796
-3.161008
-7.735038
7.509962
other
Mg6Si4
10
15
190.04
mp-1080677
-4.574532
-2.747432
-3.885054
other
Tl4Se6
10
15
287.79
mp-1094307
-4.874875
-7.446605
3.539118
other
Sr4Mg2
6
15
259.57
mp-1194272
8.770194
1.563207
1.14734
other
Zr6F24
30
15
367.62
mp-1096935
0.532793
2.96753
1.762308
other
Cr6N12
18
15
184.55
mp-504787
8.756863
1.689877
1.74197
other
Np6F24
30
15
455.08
mp-672286
-6.055372
-7.116628
4.127649
other
Eu6Ga4
10
15
288.13
mp-995217
7.565899
1.340592
-4.201891
other
H8C12
20
15
184.71
mp-1104525
-8.834933
-6.197467
2.410308
other
Nd2Au12
14
15
276.46
mp-10293
-0.954507
0.557753
0.738148
other
Ba2C4
6
15
143.23
mp-1217859
8.461163
1.843017
-0.811289
other
Tb4F30
34
15
583.45
mp-1094529
-6.941035
-10.514654
4.253068
other
Mg4Sn2
6
15
143.21
mp-1094381
-4.994773
-3.037544
4.140941
other
Mg2Ti4
6
15
110.3
mp-1096907
0.669845
3.126926
1.536912
other
Cr6N12
18
15
295.58
mp-1104652
-7.747766
-6.668962
7.039106
other
Nd10Co4
14
15
379.35
mp-1103978
-8.614967
-6.181651
6.529965
other
Tb10Ir4
14
15
371.35
mp-567415
-3.655977
1.669478
2.919313
other
Nd8B20
28
15
382.93
mp-2794
-7.063851
0.647429
3.448016
other
Fe10C4
14
15
129.33
mp-573812
-4.835132
-4.83277
0.18385
other
Cs12As44
56
15
2,027.7
mp-2843
8.958817
2.123246
1.455465
other
Sn8F16
24
15
414.66
mp-1209625
8.752788
1.905291
1.314794
other
Pu6F24
30
15
448.14
mp-1094414
-7.373009
-6.833578
6.683823
other
Y4Mg2
6
15
175.94
mp-1189723
-3.66725
-5.384166
5.479675
other
Na8Si8
16
15
362.22
mp-558380
10.009233
1.819144
1.301992
other
Cr4F10
14
15
176.52
mp-680422
0.332605
1.769871
-4.023505
other
C16Br64
80
15
2,884.98
mp-1078667
3.588731
-0.497971
-2.516064
other
Ge2H8
10
15
117.21
mp-1213622
8.874395
2.041234
-0.792802
other
Fe2F12
14
15
202.48
mp-1094461
-8.52951
-7.159916
3.628408
other
Mg2Zn4
6
15
102.15
mp-1181783
10.145974
0.574891
0.17837
other
Fe2F6
8
15
109.14
mp-547094
7.833131
8.919525
-3.341051
other
Ru2O8
10
15
150.94
mp-32570
12.579961
7.516321
0.534372
other
Al16O24
40
15
366.55
mp-1386198
9.012865
2.882885
0.64925
other
W2F10
12
15
179.65
mp-1207251
-5.23159
-6.34147
0.823809
other
Rb6Bi4
10
15
473.82
mp-1225835
-4.749805
-1.605581
-5.784253
other
Cu4S2
6
15
97.14
mp-1094316
-6.057756
-10.727508
5.701282
other
Sr2Mg4
6
15
192.04
mp-1575
-0.749018
0.685809
0.53562
other
Ca2C4
6
15
96.77
mp-486
-4.877736
-1.846766
1.04038
other
Ni2P4
6
15
87.69
mp-1209757
8.151473
2.200156
-0.88376
other
Rh2F12
14
15
342.64
mp-1196265
7.276805
7.117068
-4.114832
other
S6O36
42
15
607.78
mp-1233
-8.497443
-5.078789
2.934972
other
Cu12Sn10
22
15
388.78
mp-1104159
-8.435568
-6.715192
7.240512
other
Sm10Ru4
14
15
381.35
mp-1401938
8.684611
1.886365
-0.370287
other
Sn2F8
10
15
136.59
mp-21325
6.747175
6.06787
-3.805411
other
K2O4
6
15
114.31
mp-1097017
-3.558708
-7.508079
1.901809
other
K2Fe2
4
15
137.53
mp-1094187
-7.695929
-8.899248
6.442699
other
La2Mg4
6
15
169.62
mp-556560
10.662314
0.03052
0.282104
other
Mn2F6
8
15
114.01
mp-1167
8.209635
2.873548
-1.881471
other
C2F8
10
15
122.85
mp-1179143
6.654659
6.096572
-3.713679
other
Sr2O12
14
15
217.6
mp-1281832
6.431314
13.476793
-2.441967
other
Co2O4
6
15
103.51
mp-1428
-7.718879
-1.634613
2.536065
other
Ni10Ge6
16
15
193.54
mp-1094985
-7.268017
-10.71356
4.714909
other
Mg4Cd2
6
15
127.76
mp-34688
10.568742
12.445251
2.045952
other
Ti2O4
6
15
70.26
mp-756253
11.790133
12.731871
0.120483
other
Cr6O8
14
15
156.29
mp-1200162
6.590714
2.394517
-2.909792
other
C164F56
220
15
2,498.99
mp-1179720
8.277593
2.099821
-0.780015
other
Rh2F6
8
15
138.17
mp-1104365
-8.570273
-6.311686
6.612955
other
Y10Ir4
14
15
371.06
mp-1038946
-6.33401
-10.402662
5.82289
other
Ca2Mg4
6
15
170.73
mp-1181342
7.763756
5.400658
-2.957611
other
Ga4O6
10
15
199.59
mp-1271821
9.79361
13.104971
-0.81043
other
Fe12O16
28
15
314.14
mp-1102672
-5.106711
-7.17874
3.744427
other
Sr8Al4
12
15
472.5
mp-684887
-6.875765
0.58154
3.643252
other
Fe48N22
70
15
667.48
mp-7224
-2.294538
0.503661
2.398034
other
Th2C4
6
15
93.86
mp-706490
10.699955
10.672062
-3.735927
other
Mo36O104
140
15
2,090.4