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-555283
-5.358645
-1.166748
2.081242
other
V24S8
32
133
399.51
mp-567846
-5.401958
-2.072479
3.176615
other
Ta24P8
32
133
510.92
mp-1080856
-4.266924
-4.982327
-3.420796
other
Ce16Se32
48
133
3,071.06
mp-1201202
-5.175839
-5.238358
0.27
other
Cd96As64
160
133
4,370.12
mp-559347
15.208112
5.833243
0.225888
other
Si16O32
48
133
651.81
mp-22633
6.377798
8.696329
-1.10737
other
Pb12O16
28
135
525.72
mp-555556
15.546492
5.686947
0.378601
other
Si16O32
48
135
797.45
mp-1080363
-4.282514
-4.97563
-3.415435
other
Ce16Se32
48
135
3,829.48
mp-1208498
-9.443439
-5.659344
4.102907
other
Ti12Zn88
100
135
1,522.83
mp-726
9.138997
7.366848
-3.499362
other
Se8O16
24
135
356.23
mp-571383
-4.726555
-1.919331
-3.080714
other
Pd24Se24
48
135
964.33
mp-23192
-0.865701
2.36802
-3.317492
other
Hg2I4
6
137
256
mp-1372
-5.144132
-5.246492
0.288413
other
Cd24As16
40
137
1,044.83
mp-568742
-0.864791
2.364574
-3.320638
other
Hg8I16
24
137
1,027.21
mp-15700
-4.926957
-4.749572
0.014814
other
Zn24As16
40
137
813.71
mp-1103625
-4.265777
-3.382221
-2.933105
other
Np8Se20
28
137
652.81
mp-1018721
10.797646
9.926747
3.864554
other
Hf2O4
6
137
65.47
mp-2071
-3.25311
-3.928013
0.595404
other
Zn24P16
40
137
731.08
mp-2048
-6.015256
-3.668312
-2.278256
other
Tl32Te32
64
137
2,176.98
mp-1071032
-3.624305
-1.31778
-5.588978
other
Ge2S4
6
137
138.4
mp-567279
1.566185
2.338625
-5.301295
other
Zn2Cl4
6
137
147.86
mp-567944
4.989442
2.841218
-3.895338
other
B8Cl8
16
137
444.11
mp-2441
-3.662291
-4.41493
0.847327
other
Cd24P16
40
137
956.91
mp-28212
12.920821
10.178455
2.207855
other
Nb8O10
18
137
218.36
mp-2574
10.734494
9.922378
4.019452
other
Zr2O4
6
137
67.72
mp-510751
7.333144
10.223025
-1.11766
other
Cu16O16
32
137
418.06
mp-1198150
-4.656439
-2.977342
-3.580942
other
Bi16Se24
40
137
1,333.8
mp-776104
8.718307
8.445484
0.20017
other
K16O8
24
137
584.46
mp-1208572
7.558894
6.161863
-3.447666
other
V16O48
64
138
1,178.84
mp-1201168
-8.767173
-6.137022
2.355943
other
Tb8Au48
56
138
1,066.81
mp-600109
15.65152
5.624751
0.378825
other
Si60O120
180
138
3,496.31
mp-1189845
-6.756868
1.115025
3.707719
other
Fe8B8
16
138
174.71
mp-505366
-0.343822
1.473802
-4.506013
other
Au4Br4
8
138
234.99
mp-616575
-5.816416
0.703865
3.394462
other
Mn8B8
16
138
181.54
mp-1199277
-8.803038
-6.117716
2.358278
other
Dy8Au48
56
138
1,062.37
mp-27725
-0.90381
2.613241
-3.749278
other
Au4I4
8
138
276.1
mp-1199447
-8.761376
-6.096948
2.323985
other
Ho8Au48
56
138
1,096.12
mp-1120780
1.662683
2.692596
-5.283508
other
Au4Cl4
8
138
210.98
mp-1091
-8.812989
-6.179378
2.379198
other
Sm8Au48
56
138
1,082.83
mp-19177
9.264395
13.400795
-1.887441
original
Cr2O4
6
136
56.65
mp-2237
9.933973
9.569116
-2.024063
other
Te2O4
6
136
88.85
mp-862845
1.295586
2.172215
-3.742411
other
Ir2Cl4
6
136
120.43
mp-1014366
0.495526
2.917327
1.783326
other
Cr2N4
6
136
57.37
mp-31181
-7.754512
-5.906088
6.25164
other
Er12Al8
20
136
496.36
mp-864616
1.772707
2.785337
-4.465316
other
I2Cl4
6
136
275.67
mp-1184273
-0.114532
0.957309
-3.971483
other
Eu2Br4
6
136
229.95
mp-864757
1.946899
2.180145
1.066062
other
Yb2N4
6
136
80.2
mp-1183765
-0.54424
1.380974
-4.422975
other
Cr2Br4
6
136
170.37
mp-1192771
-6.229066
-0.614801
3.820661
other
Os10W20
30
136
472.1
mp-470
11.434557
7.723114
-1.342406
other
Ge2O4
6
136
56
mp-862601
-1.030636
2.52162
-3.356458
other
Rh2I4
6
136
171.9
mp-571624
-7.5837
-6.153823
6.645701
other
Dy12Al8
20
136
511.54
mp-1039192
-5.910218
-8.023137
5.521247
other
Mg2Al4
6
136
156.63
mp-1093993
10.299512
9.030962
0.108591
other
Zn4O4
8
136
99.21
mp-1188977
-8.290582
-3.349604
4.811901
other
Ga12Rh4
16
136
277.19
mp-558928
8.398569
2.333317
-1.209818
other
Kr2F4
6
136
120.19
mp-1193531
-5.25265
-2.59691
3.621551
other
Ta20Al10
30
136
509.68
mp-982635
-7.671079
-6.072327
6.570791
other
Tm12Al8
20
136
489.05
mp-636368
-7.838722
-1.716961
4.95247
other
Ga12Fe4
16
136
248.47
mp-570560
-6.437984
-7.401645
2.479107
other
Na12Hg8
20
136
523.22
mp-1194495
-5.396658
-2.312555
3.612123
other
Ta20Au10
30
136
527.12
mp-510536
12.827602
11.068751
-0.93529
other
Mo4O8
12
136
137.09
mp-19372
12.949201
10.884913
-0.344443
other
W2O4
6
136
74.66
mp-1238787
6.665906
6.107463
-3.805593
other
Na2O4
6
136
85.79
mp-1195396
-5.907632
-2.764664
3.911108
other
Nb64Ga80
144
136
2,437.44
mp-1183892
1.056335
1.863155
-5.346157
other
Eu2Cl4
6
136
196.39
mp-825
8.036325
11.572508
0.181153
other
Ru2O4
6
136
62.52
mp-863016
8.168839
1.339247
-0.138862
other
Rb2F4
6
136
139.55
mp-864647
0.465361
1.180586
2.734711
other
Hf4N2
6
136
91.52
mp-862329
-1.194746
1.397236
-1.780053
other
Sc2I4
6
136
215.26
mp-570844
-8.075351
-2.647742
5.194574
other
Ga12Os4
16
136
285.85
mp-867134
0.639861
1.084737
-3.804064
other
Sm2Cl4
6
136
173.39
mp-22236
-7.86116
-5.235768
3.618788
other
In12Co4
16
136
328.68
mp-1249
8.943637
0.850565
1.462796
other
Mg2F4
6
136
64.92
mp-864986
-0.253078
0.615481
-3.088037
other
Dy2Br4
6
136
193.53
mp-13470
-5.830864
-3.389678
4.26768
other
Zr12Al8
20
136
409.06
mp-20559
-8.022898
-2.826105
4.902086
other
Ga12Co4
16
136
244.26
mp-1094628
-6.557693
-8.974803
4.369646
other
Mg2Ga4
6
136
154.87
mp-630976
-8.360216
-4.919139
3.892759
other
In12Ir4
16
136
360.98
mp-865534
-0.220882
0.628577
-3.144167
other
Y2Br4
6
136
196.31
mp-1077716
7.899834
10.833933
-0.731144
other
Pt2O4
6
136
68.65
mp-863657
0.933387
1.482981
-4.280344
other
Pm2Cl4
6
136
176.28
mp-556911
10.298319
2.069961
2.229841
other
Fe2F4
6
136
72.16
mp-2533
12.800954
10.692876
2.080932
other
Nb2O4
6
136
72.53
mp-29771
-0.578173
0.672053
0.381771
other
Mg2C4
6
136
77.84
mp-559798
9.373799
0.894152
-0.29164
other
Ni2F4
6
136
66.1
mp-555934
10.031659
3.134424
1.869492
other
V2F4
6
136
74.4
mp-978985
-0.513573
1.225356
-4.365763
other
Sn2Br4
6
136
219.79
mp-864918
1.786519
1.803501
2.08069
other
Np2N4
6
136
83.8
mp-2657
10.552733
12.446898
1.909432
other
Ti4O8
12
136
125.23
mp-2723
7.961308
11.198101
-0.473085
other
Ir2O4
6
136
64.48
mp-714972
11.978202
8.987763
1.171246
other
V16O2
18
136
238.85
mp-7507
-5.098918
-7.474696
3.550133
other
Sr12Li8
20
136
843.55
mp-1189634
-8.284318
-3.113675
5.02075
other
Ga12Ir4
16
136
281.2
mp-862868
-0.103962
1.375786
-4.25952
other
Pb2Br4
6
136
231.45
mp-865934
8.078979
1.358682
0.888059
other
Yb2F4
6
136
92.94
mp-996
8.023032
11.533536
0.274287
other
Os2O4
6
136
64.36
mp-571166
-0.224535
0.979381
-4.038197
other
Ca2Br4
6
136
203.01
mp-1094301
-5.1983
-7.773403
3.881516
other
Sr2Mg4
6
136
298.85
mp-1106135
-7.584072
-5.973585
6.592412
other
Ho12Al8
20
136
504.6