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-600039
15.6395
5.647954
0.372144
other
Si24O48
72
63
1,294.22
mp-31253
-8.244703
-2.887388
4.639923
other
Ga12Ir6
18
63
276.01
mp-25233
9.879192
12.183311
-4.279677
other
V4O10
14
63
203.41
mp-1448
-7.797537
-6.126611
6.02633
other
Nd2Ga2
4
63
105.57
mp-1094506
-5.096503
-3.122955
4.103947
other
Mg2Ti4
6
63
112.75
mp-1189599
-8.026937
-6.283138
5.35119
other
Pr6In10
16
63
453.29
mp-1185876
-7.480591
-7.453279
2.074166
other
Mg2Hg4
6
63
131.37
mp-1018147
-7.306393
-6.233757
3.374422
other
Eu2Pd2
4
63
100.08
mp-1711
-6.961027
-4.254955
5.501006
other
Er6Ge8
14
63
298.46
mp-1120823
-6.466681
-5.090249
0.6649
other
V16Bi12
28
63
598.32
mp-1047384
8.162623
1.406936
-0.538673
other
Bi2F10
12
63
197.76
mp-1341
-6.078501
-2.479203
-0.617081
other
Te4Rh6
10
63
180.69
mp-1094331
-6.082009
-10.747402
5.719934
other
Sr2Mg4
6
63
185.99
mp-1045868
7.137292
10.924249
-1.085744
other
Cu10O14
24
63
256.32
mp-1077023
-8.741918
-4.12136
3.958401
other
Ti2Cu4
6
63
78.61
mp-178
-6.305683
-5.356687
5.867588
original
Th2Al2
4
63
107.87
mp-11233
-5.896106
-3.215569
4.502469
other
Zr2Al2
4
63
78.47
mp-1188370
-7.315057
-5.965689
4.070026
other
La6Sn10
16
63
469.87
mp-1039381
-7.800119
-8.810117
6.231884
other
Ce2Mg4
6
63
156.75
mp-1094663
-6.297959
-6.009279
3.652788
other
Mg2Ga4
6
63
117.1
mp-714
-6.688548
-6.283667
2.617154
original
Sr2Sn8
10
63
290.08
mp-1094326
-4.983843
-3.036983
4.133013
other
Mg2Ti4
6
63
111.15
mp-1025395
-5.862023
-3.517504
-1.638143
other
Ho2Te6
8
63
258.87
mp-641533
-4.786543
-4.855317
0.092495
other
In6As6
12
63
289.9
mp-21159
-6.783557
-4.372415
5.18395
other
Dy2Ge6
8
63
163.76
mp-1094549
-5.664926
-5.552831
0.402126
other
Mg2Sb4
6
63
156.81
mp-1094389
-7.271512
-6.868505
6.673247
other
Y8Mg4
12
63
351.1
mp-1097018
0.69339
3.079697
1.540846
other
Cr32N64
96
63
2,569.01
mp-1094439
-8.57211
-6.927284
3.67845
other
Mg2Zn4
6
63
97.32
mp-28424
-3.495901
-4.54542
0.756328
other
K8P6
14
63
420.01
mp-1094918
-6.417677
-5.902591
5.704515
other
Ce4Mg2
6
63
149.09
mp-1094535
-6.846017
-10.328146
4.212156
other
Mg4Sn2
6
63
143.32
mp-600027
15.688831
5.635737
0.400199
other
Si24O48
72
63
1,480.24
mp-1018276
-7.191307
-5.417993
5.229948
other
Ce2Ga2
4
63
105.33
mp-9973
-5.358186
0.353828
3.082849
other
V2B2
4
63
35.99
mp-299
-6.908166
1.436133
-4.081439
other
Mo18Se22
40
63
905.69
mp-1025491
-6.7605
-4.365355
5.188119
other
Tb2Ge6
8
63
165.05
mp-12755
-8.070398
-4.60281
5.169787
other
Th2Rh2
4
63
93.12
mp-1181499
6.760356
10.824398
-1.507641
other
Cu2O4
6
63
63.94
mp-600004
15.696508
5.644797
0.375412
other
Si12O24
36
63
635.64
mp-1192783
-5.580228
-1.047755
2.211598
other
V16P12
28
63
366.78
mp-1094384
-5.005131
-3.037395
4.137146
other
Mg2Ti4
6
63
111.5
mp-29631
-6.411094
-6.745665
3.617436
other
Li22Ge12
34
63
556.61
mp-1046793
12.904838
10.820444
2.020955
other
Ti8O12
20
63
229.72
mp-1193741
-6.558582
-6.396737
4.275057
other
Eu10Ga18
28
63
634.17
mp-16718
-6.698285
-2.395724
6.555535
other
Al12Tc2
14
63
222.11
mp-972454
-7.498944
-6.914338
6.92953
other
Sm4Mg2
6
63
183.31
mp-1094272
-5.747729
-3.869218
3.464624
other
Zr4Sn2
6
63
136.01
mp-1043373
5.884955
8.968028
-1.829164
other
Bi4O10
14
63
241.31
mp-1072865
-7.117577
-5.72448
3.799968
other
Ho2Sn4
6
63
155.26
mp-1047615
9.378401
2.719802
0.398848
other
W2F10
12
63
170.04
mp-1190005
-7.323734
-5.981439
4.147727
other
Pr6Sn10
16
63
454.94
mp-1091387
-7.509438
-7.887552
2.083731
other
Ca2Hg6
8
63
204.76
mp-510140
-6.011877
-4.480666
3.311794
other
Pu6Co2
8
63
170.91
mp-729971
-3.712081
-1.449936
-5.281599
other
Rb2S2
4
63
131.61
mp-999206
-7.406341
-4.608865
5.482809
other
Sc2Al2
4
63
85.67
mp-1038792
-6.294932
-5.742066
0.537835
other
Mg2Bi4
6
63
174.73
mp-1103747
-5.655099
-5.524513
3.424062
other
Ba2Ge12
14
63
331.92
mp-1094579
-6.948336
-11.053744
5.511815
other
Li2Mg4
6
63
127.6
mp-30849
-7.705457
-3.121452
2.905053
other
Ta2Pt4
6
63
96.94
mp-1097003
5.820337
12.256763
-2.260277
other
Fe2O4
6
63
66.03
mp-777469
12.089269
12.842879
-2.579362
other
V4O8
12
63
141.47
mp-9972
-4.91611
-4.375586
6.076571
other
Y2Si2
4
63
86.83
mp-976982
-5.751451
-7.127187
3.52383
other
Li4Mg2
6
63
119.76
mp-21210
-5.802489
-5.678678
0.744459
other
In2Sb2
4
63
115.67
mp-998911
-6.959441
-4.54542
5.681026
other
Tm2Ge2
4
63
86.05
mp-715664
10.675434
12.615977
-3.85569
other
V16O36
52
63
712.45
mp-1079783
-5.811605
-6.421723
4.840287
other
Eu2Al2
4
63
111.35
mp-999306
-8.945477
-6.40044
3.450187
other
Pr2Au2
4
63
106.72
mp-601195
7.024983
9.953287
-1.690413
other
Cu2O4
6
63
206.26
mp-636614
-6.659997
-6.675746
3.642137
other
Y2Pb4
6
63
171.17
mp-10638
-5.541292
-3.495358
2.141331
other
Zr6Sb6
12
63
285.19
mp-571555
1.077978
2.276108
-5.44077
other
In2Cl2
4
63
117.17
mp-16529
-7.051011
-2.367593
6.598773
other
Al12Ru2
14
63
216.76
mp-568949
-0.031425
1.611218
-4.523343
other
Tl2Br2
4
63
136.72
mp-2668
-6.482342
-1.788081
1.758101
other
Mn6As2
8
63
120.69
mp-1078361
8.09893
13.477645
-1.192501
other
Fe4O6
10
63
100.05
mp-1066577
-7.558199
-3.734566
3.119503
other
Np2Pt2
4
63
92.76
mp-850086
-5.545314
-1.374516
-3.920424
other
Ni6S4
10
63
122.1
mp-861620
-9.013704
-6.298118
4.931026
other
La2Zn8
10
63
193.68
mp-1102507
-7.400643
-1.216173
5.568818
other
Nd4Mn8
12
63
217.95
mp-669688
-6.990975
-3.952693
4.602988
other
U6Ga10
16
63
331.06
mp-1039340
-5.181023
-7.353002
3.989261
other
Ca4Mg2
6
63
206.18
mp-30483
-6.31261
-7.199995
3.775532
other
Ca2Zn2
4
63
104.76
mp-1183936
-5.666452
-7.36751
4.112765
other
Eu4Mg2
6
63
216.58
mp-30502
-8.02893
-7.38026
3.97309
other
Tm2Cd6
8
63
181.66
mp-1094344
-6.836176
-8.528794
6.515316
other
Mg4Ti2
6
63
122.82
mp-1094909
-7.270609
-10.713641
4.711258
other
Mg8Cd4
12
63
255.25
mp-1066975
-5.065892
-4.260861
6.19987
other
Tm2Si2
4
63
81.99
mp-1073795
-2.328045
-6.659969
7.62335
other
Mg4Si4
8
63
150.49
mp-1078508
-5.866769
-3.450895
-1.669596
other
Ho2Te6
8
63
245.85
mp-560809
15.669594
5.656546
0.377238
other
Si24O48
72
63
1,292.19
mp-30473
-6.150101
-6.642067
4.093606
other
Ca6Ga10
16
63
355.28
mp-538
-7.062118
-6.998766
3.487861
other
Ca2Ag2
4
63
107.32
mp-1047386
6.650725
9.139853
-1.301632
other
Bi4O8
12
63
224.01
mp-1094659
-6.290029
-5.975442
3.614572
other
Mg2Ga4
6
63
114.9
mp-1065711
-5.533613
-7.045314
3.112485
other
Na2Ga2
4
63
100.76
mp-1094305
-6.039573
-10.572421
5.543608
other
Sr2Mg4
6
63
199.49
mp-1185774
-7.784112
-8.888875
6.288881
other
Mg4Sc2
6
63
139.01
mp-1047618
11.951606
13.440237
-2.4341
other
V4O8
12
63
139.42