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-30180
-6.487653
-1.848738
5.887565
other
Al12Mo3
15
8
242.86
mp-1220533
-6.504422
-4.090411
0.210952
other
Ni16Bi16
32
8
622.21
mp-1228763
-6.444046
-1.652588
5.105028
other
Al16V10
26
8
384.77
mp-1247845
12.866117
7.430564
0.69794
other
Al10O15
25
8
331.06
mp-1039659
-7.714508
-8.56526
6.101585
other
Ce2Mg4
6
8
151.95
mp-1075372
-2.076218
-5.91345
7.467501
other
Mg10Si12
22
8
411.66
mp-1096876
6.826225
8.715485
-2.483582
other
Cd2O4
6
8
87.74
mp-32958
8.873516
3.015896
1.647258
other
Sm10F5
15
8
404.18
mp-1075469
-2.129143
-5.885439
7.463047
other
Mg10Si12
22
8
404.17
mp-1073100
-2.159874
-5.805034
7.306413
other
Mg8Si12
20
8
387.77
mp-1094284
-6.099834
-10.670184
5.629858
other
Sr2Mg4
6
8
204.3
mp-1350912
7.913673
13.710227
-1.870796
other
Mn16O32
48
8
562.25
mp-1094455
-7.676582
-10.789568
4.971498
other
Mg4Zn2
6
8
118.85
mp-1073410
-2.673006
-5.358718
7.015251
other
Mg4Si8
12
8
220.41
mp-1219596
-5.319963
-6.315072
0.793133
other
Rb5Bi4
9
8
429.67
mp-1094080
-3.316927
-5.272684
6.471086
other
Si18Sn1
19
8
1,101.91
mp-1075010
-2.040457
-5.87925
7.489768
other
Mg6Si8
14
8
261.26
mp-1216505
-6.835879
-1.529527
4.399576
other
V12Ga14
26
8
382.18
mp-1215779
-9.195628
-5.093995
2.891749
other
Zn20Pd6
26
8
369.97
mp-1075366
-2.037333
-6.054594
7.543845
other
Mg10Si12
22
8
407.22
mp-1355192
5.323384
11.052556
-2.227201
other
Fe12O24
36
8
435.65
mp-1075412
-2.210593
-5.850964
7.422813
other
Mg10Si12
22
8
400.5
mp-1073522
-2.496001
-5.447054
7.064962
other
Mg4Si8
12
8
224.99
mp-1094204
-5.757597
-5.900954
0.532451
other
Mg3Sb3
6
8
150.78
mp-1224909
-4.886065
-4.244329
6.141158
other
Ho12Si16
28
8
580.41
mp-1097767
4.770692
-0.176174
-2.785538
other
H3S1
4
8
32.85
mp-780772
11.048162
12.036033
2.77752
other
Ta6O15
21
8
269.41
mp-1094526
-7.331736
-6.793133
6.671064
other
Y4Mg2
6
8
178.05
mp-1349907
6.14697
12.978741
-2.462745
other
Co16O32
48
8
516.77
mp-1238819
12.452251
6.993489
-5.180299
other
P1O2
3
8
81.93
mp-674332
11.675611
8.505093
1.928441
other
U17O31
48
8
684.17
mp-1224231
-8.018982
-6.657859
2.118541
other
In18Ag34
52
8
995.1
mp-1100444
-2.50625
-5.444469
7.114314
other
Mg8Si14
22
8
405.07
mp-1094348
-4.333437
-3.748261
4.569114
other
Mg3Ti3
6
8
117.08
mp-1094539
-7.081441
-10.839642
4.856361
other
Mg5Sn1
6
8
139.76
mp-760084
7.692231
10.839906
-0.93141
other
Cu8O7
15
8
172.54
mp-1094704
-7.305629
-10.812127
5.109139
other
Mg5Cd1
6
8
131.58
mp-1038866
-6.748982
-10.741497
5.993818
other
Ca1Mg5
6
8
154.35
mp-973307
-6.993972
-10.745267
4.996161
other
Mg5As1
6
8
130.55
mp-1100190
-6.247832
-9.335326
4.49607
other
Li3Mg3
6
8
125.53
mp-1074203
-3.012719
-5.189678
6.822066
other
Mg8Si14
22
8
367.45
mp-851357
-6.178037
-0.495787
1.520085
other
Fe14S7
21
8
260.1
mp-1094415
-7.123549
-6.801499
6.954155
other
Y5Mg1
6
8
190.7
mp-1226927
1.95426
1.84838
1.896386
other
Ce3N6
9
8
146.77
mp-1094186
-7.701705
-9.6871
6.536201
other
La1Mg5
6
8
155.8
mp-1094296
-4.866517
-7.466588
3.531376
other
Sr4Mg2
6
8
264.88
mp-1224873
-6.002691
-3.460264
-2.199544
other
Ga2Te3
5
8
228.51
mp-1074148
-2.571327
-5.401551
7.097257
other
Mg8Si14
22
8
396.03
mp-1094911
-7.242825
-10.745728
4.715908
other
Mg4Cd2
6
8
129.05
mp-1094250
-6.78796
-9.386742
3.410546
other
Mg3Sn3
6
8
148.67
mp-1100191
-7.705666
-9.948809
6.750204
other
Y1Mg5
6
8
149.41
mp-1094208
-6.784037
-9.363436
3.412822
other
Mg3Sn3
6
8
150.74
mp-1075190
-2.08886
-5.870714
7.479197
other
Mg6Si8
14
8
261.61
mp-1185827
-7.174613
-10.350749
4.986097
other
Mg5In1
6
8
135.36
mp-1387939
8.619865
1.82741
-0.680509
other
Cr2F8
10
8
155.25
mp-1185918
-6.72481
-6.569646
2.682622
other
Mg1In5
6
8
158.85
mp-977273
-8.27454
-2.094795
3.465254
other
Mg1Rh5
6
8
84.6
mp-1080022
-6.582604
-3.581156
4.180643
other
Zr4Cu4
8
8
138.78
mp-1073033
-2.247584
-5.713728
7.353764
other
Mg8Si12
20
8
369.76
mp-730522
2.053903
2.244059
-3.795497
other
H1Br1
2
8
57.63
mp-1094700
-6.279628
-8.77784
5.690795
other
Mg18Al11
29
8
591.17
mp-1039471
-7.073068
-7.944116
3.059589
other
Mg3Cd3
6
8
127.42
mp-1073851
-2.568442
-6.791865
7.69158
other
Mg6Si6
12
8
216.65
mp-1075377
-2.064928
-5.917656
7.471751
other
Mg10Si12
22
8
409.36
mp-1224586
10.511683
7.740684
-2.378348
other
Ge10O22
32
8
440.65
mp-1359196
5.386758
11.251509
-2.422841
other
Fe12O24
36
8
448.33
mp-1223399
-2.630198
-2.712641
-5.351453
other
La10S14
24
8
655.46
mp-1104047
-6.597325
-2.109818
6.313921
other
Al12Tc3
15
8
226.38
mp-1217166
-3.945587
-0.113289
-4.312404
other
Ti5S8
13
8
238.41
mp-1219114
-7.391073
-5.711109
2.324487
other
Sn18Au8
26
8
643.24
mp-1094212
-6.386783
-6.389482
2.120568
other
Mg2Sn4
6
8
155.9
mp-684641
-6.295084
-0.619823
1.350202
other
Fe14S7
21
8
261.17
mp-1094612
-7.302807
-10.843731
5.292718
other
Mg5Ga1
6
8
126.48
mp-1094271
-4.938839
-7.494717
3.844065
other
Sr3Mg3
6
8
224.43
mp-1255599
-3.271904
-7.898535
7.528975
other
Mg14Si8
22
8
440.25
mp-1235059
6.51472
5.847408
-3.615162
other
Li1O8
9
8
102.64
mp-685100
-1.370664
2.363664
-3.089718
other
Cu14I19
33
8
1,043.09
mp-1039088
-7.744875
-9.680703
6.473048
original
Ce1Mg5
6
8
150.96
mp-1041282
13.014414
10.608673
-0.198749
other
W12O24
36
8
550.56
mp-1094650
-6.578019
-9.15134
4.785841
other
Mg3Ga3
6
8
113.96
mp-1075120
-2.323178
-5.710872
7.326894
other
Mg6Si8
14
8
253.42
mp-27821
-3.394233
-3.58625
0.418645
other
Ag3P11
14
8
286.2
mp-977056
-8.077771
-2.966737
2.563942
other
Mg1Pt5
6
8
92.04
mp-1232355
-4.749083
-4.929379
0.120478
other
Ga8As8
16
8
691.11
mp-982380
-5.742792
-7.125556
3.540582
other
Li4Mg2
6
8
123.1
mp-1184798
-6.443539
-6.860865
2.367249
other
In1Pb1
2
8
58.96
mp-612918
-6.938368
-4.370877
5.544279
other
Dy6Ge8
14
8
309.93
mp-1185812
-6.983684
-10.77074
4.892455
other
Mg5Ge1
6
8
130.56
mp-1094372
-4.936938
-7.529294
3.567339
other
Sr5Mg1
6
8
293.06
mp-1094604
-6.940801
-11.026457
5.562823
other
Li2Mg4
6
8
128.39
mp-1599
3.113447
2.492114
0.554137
other
B4N4
8
8
72.42
mp-1352191
9.69734
9.763701
-0.354047
other
Sn16O32
48
8
690.49
mp-1349242
9.151145
12.237669
-2.581523
other
Cr16O32
48
8
563.57
mp-1042045
6.079392
11.421219
-1.628228
other
Ni16O32
48
8
528.86
mp-1073274
-2.509273
-5.438201
7.090412
other
Mg4Si8
12
8
223.02
mp-1216242
0.260866
2.285651
2.186583
other
W4N6
10
8
109.45
mp-976944
-5.896514
-7.004399
3.412585
other
Li5Mg1
6
8
122.51
mp-1361684
11.929957
13.56496
-2.399541
other
V12O24
36
8
449.37
mp-1181264
-4.225426
-4.689163
-1.498276
other
Ge1Te1
2
8
555.95
mp-1073176
-2.150578
-5.809176
7.309764
other
Mg8Si12
20
8
386.96