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-1094552
-5.543783
-5.920734
0.387328
other
Mg3Sb3
6
38
155.21
mp-1102356
11.414856
9.105752
1.696646
other
U3O8
11
38
168.59
mp-976891
-6.307261
-6.94542
2.360322
other
Mg1Pb5
6
38
177.61
mp-1039049
-6.886714
-6.263064
5.54786
other
Ce6Mg6
12
38
314.32
mp-1186894
-4.272859
-7.116325
2.409113
other
Rb3Mg3
6
38
321.7
mp-1094530
-4.927384
-7.53075
3.574654
other
Sr5Mg1
6
38
293.09
mp-1094550
-5.652276
-5.903404
0.452983
other
Mg3Sb3
6
38
154.74
mp-1094447
-7.752754
-8.631062
6.872258
other
Y3Mg3
6
38
167.21
mp-30596
-6.190491
-4.504767
0.964698
other
Cu11Sb3
14
38
200.61
mp-1194978
9.739654
13.148089
-0.617077
other
Fe25O32
57
38
578.63
mp-1038759
-6.425281
-7.126873
1.212418
other
Mg8Bi4
12
38
312.41
mp-977122
-5.89713
-7.007572
3.412112
other
Li5Mg1
6
38
122.5
mp-1094524
-6.780081
-9.336545
3.381006
other
Mg3Sn3
6
38
148.75
mp-1094599
-7.103884
-11.013934
5.554282
other
Li1Mg5
6
38
131.48
mp-1094407
-7.57737
-8.446427
6.767658
other
Y3Mg3
6
38
169.59
mp-1216486
-7.665127
-1.61462
3.597799
other
V3Rh5
8
38
108.78
mp-1078819
-7.109955
-5.71211
3.33892
other
Tm2Sn6
8
38
214.98
mp-1094413
-7.606328
-8.400132
6.767432
other
Y3Mg3
6
38
170.02
mp-1094375
-7.122152
-6.811255
6.954261
other
Y5Mg1
6
38
192.37
mp-1185945
-8.075076
-2.989975
2.546785
other
Mg1Pt5
6
38
92.61
mp-1094353
-4.919711
-7.490413
3.809625
other
Sr3Mg3
6
38
227.48
mp-1094622
-6.292304
-5.880535
3.702466
other
Mg2Ga4
6
38
111.58
mp-1094575
-6.221513
-9.306402
4.444843
other
Li3Mg3
6
38
128.08
mp-561181
15.573014
5.666009
0.336399
other
Si28O56
84
38
1,851.07
mp-1094587
-6.932877
-11.022766
5.550254
other
Li2Mg4
6
38
128.91
mp-1094585
-5.785815
-5.952702
0.691906
other
Mg3Sb3
6
38
152.52
mp-1213626
-9.473682
-4.595309
3.633767
other
Cu64O1
65
38
766.97
mp-1079101
-3.20333
-2.156495
-5.612101
other
Pb4S4
8
38
252.29
mp-1094951
-7.307237
-10.813763
5.106638
other
Mg5Cd1
6
38
131.69
mp-1039543
-7.343164
-7.101325
2.526893
other
Mg4Cd8
12
38
255.62
mp-1221441
-6.481706
-1.123894
3.175383
other
Mo4Pt4
8
38
124.75
mp-983609
-6.737357
-6.598894
2.647881
other
Mg1In5
6
38
152.49
mp-1215602
-8.831631
-6.256095
2.762594
other
Zn3Hg1
4
38
74.57
mp-1094573
-6.236358
-9.31254
4.482415
other
Li3Mg3
6
38
126.59
mp-1039493
-5.910545
-9.582819
5.067478
other
Ca6Mg6
12
38
386.8
mp-1217054
-2.844051
0.227593
2.724657
other
Ti1C2
3
38
30.42
mp-1039403
-5.938516
-9.775203
5.202542
other
Ca6Mg6
12
38
375.52
mp-1039509
-6.989576
-6.236309
5.483337
other
Ce6Mg6
12
38
314.97
mp-1217091
-5.558816
-3.003708
3.762988
other
Ti3Nb1
4
38
70.04
mp-753740
7.532917
9.582456
-3.858164
other
Cr1O3
4
38
63.76
mp-1226728
-7.942561
-6.764653
2.137407
other
Cd1Ag1
2
38
37.92
mp-1094474
-8.054369
-9.643076
4.399623
other
Mg3Zn3
6
38
111.09
mp-1094308
-4.947289
-7.477787
3.841244
other
Sr3Mg3
6
38
223.5
mp-1220710
-5.640192
-2.520965
3.433522
other
Nb12Ge4
16
38
287.39
mp-981747
-7.280637
-6.904208
7.214353
other
Sm5Mg1
6
38
192.09
mp-1184241
-7.780015
-9.742052
6.644823
other
Er1Mg5
6
38
144.71
mp-1094361
-7.046708
-8.786019
6.511183
other
Mg4Ti2
6
38
123.58
mp-1039441
-6.238502
-10.431285
5.771367
other
Ca4Mg8
12
38
353.52
mp-1062842
9.057386
0.849718
1.308931
other
Mg1F2
3
38
32.11
mp-1080069
-7.119501
-5.675734
3.341637
other
Tb2Sn6
8
38
219.99
mp-1094234
-6.385841
-6.339993
2.123219
other
Mg2Sn4
6
38
154.79
mp-1187654
-7.75452
-9.787175
6.691854
other
Tm1Mg5
6
38
144.49
mp-1185806
-6.981889
-10.747631
4.981957
other
Mg5As1
6
38
131.09
mp-1094380
-5.032522
-3.080345
4.125198
other
Mg2Ti4
6
38
111.09
mp-867369
9.134285
2.861115
0.968747
other
Tc2F6
8
38
119.69
mp-569514
-8.537069
-4.058032
2.712814
other
Zn49Pt29
78
38
1,187.91
mp-1184701
-7.484332
-6.798778
6.950673
other
Ho5Mg1
6
38
181.59
mp-1219567
4.673946
3.047949
-3.558693
other
Rb1N3
4
38
79.65
mp-1187825
-5.960321
-7.304874
4.444205
other
Yb5Mg1
6
38
222.23
mp-1039582
-6.73589
-6.32563
5.642684
other
Ce6Mg6
12
38
309.84
mp-976239
-6.256152
-9.269738
4.485887
other
Li3Mg3
6
38
120.4
mp-1186234
-4.624693
-0.961871
-2.970796
other
Nb4Se8
12
38
285.11
mp-1217184
-7.700436
-9.928077
6.675552
other
Y19Mg97
116
38
2,857.3
mp-1094639
-6.311482
-5.647377
3.660025
other
Mg1Ga5
6
38
113.85
mp-1094544
-6.186972
-4.279206
3.221114
other
Zr5Sn5
10
38
234.96
mp-1094299
-4.936851
-7.479457
3.849535
other
Sr3Mg3
6
38
224.07
mp-1038953
-5.952466
-9.766864
5.19155
other
Ca6Mg6
12
38
375.93
mp-1185934
-6.611349
-6.835401
2.884839
other
Mg2In4
6
38
146.22
mp-28677
-3.996478
-1.976165
-4.83454
other
Bi10S10
20
38
1,025.28
mp-1094345
-4.306046
-3.75746
4.568299
other
Mg3Ti3
6
38
116.6
mp-972892
-7.461903
-7.458995
1.777387
other
Mg1Hg5
6
38
142.28
mp-1185825
-6.931061
-10.579178
4.795636
other
Mg5Pb1
6
38
141.19
mp-1094490
-8.111469
-9.525253
4.407384
other
Mg3Zn3
6
38
109.35
mp-1238084
-3.834753
-7.31935
1.964412
other
K6Tc3
9
38
402.26
mp-1080577
-7.073872
-5.712365
3.370759
other
Ho2Sn6
8
38
216.86
mp-1094231
-6.664993
-6.159521
2.031727
other
Mg1Sn5
6
38
161.45
mp-1094927
-7.250165
-10.745755
4.720583
other
Mg4Cd2
6
38
128.77
mp-1094216
-7.364205
-7.779505
6.390652
other
La3Mg3
6
38
184.58
mp-600055
15.607147
5.669989
0.374003
other
Si28O56
84
38
1,605.95
mp-1094210
-6.754736
-9.243383
3.369129
other
Mg3Sn3
6
38
145.21
mp-1094632
-6.569308
-9.130524
4.758663
other
Mg3Ga3
6
38
113.06
mp-1065146
-5.216103
-2.748924
4.390104
other
Ti1Si1
2
38
29.37
mp-1039468
-5.932655
-9.729613
5.174349
other
Ca6Mg6
12
38
377.61
mp-8781
-3.625619
-1.624442
-5.662128
other
Sn2S2
4
39
187.27
mp-558134
8.197148
1.433396
0.860861
other
Tl2F2
4
39
93.65
mp-1179154
7.217596
9.195987
-1.128061
other
Tl8O8
16
39
279.83
mp-554134
-3.623044
-1.621963
-5.665886
other
Sn2S2
4
39
382.94
mp-1826
-4.941242
-2.07266
2.509623
other
Ta12S8
20
39
367.3
mp-754748
6.139672
13.395358
-2.597353
other
Co4O8
12
39
147.57
mp-20526
-3.291416
-2.105924
-5.548345
other
Pb2S2
4
39
200.98
mp-505634
-5.908707
-3.531263
-1.712483
other
Cs4Te6
10
36
470.68
mp-1080623
2.733695
2.441757
1.621327
other
Si4N6
10
36
126.45
mp-16964
15.505426
5.716953
0.345141
other
Si12O24
36
36
611.88
mp-7447
-4.6616
-2.686815
-3.631608
other
Rb4Se6
10
36
344.38
mp-570044
-1.251083
1.923129
-2.656435
other
Nb4I16
20
36
776.78
mp-1102036
-5.79399
-1.397851
1.198002
other
Ni6P6
12
36
146.78
mp-1080642
-4.267404
-4.980371
-3.421755
other
Ce12Se24
36
36
3,014.36
mp-28035
-3.423134
-3.915998
0.518195
other
Ba2P20
22
36
507.08
mp-1066781
1.48553
2.719188
-4.343422
other
Br2Cl2
4
36
158.37
mp-1077595
6.152646
2.885135
-2.969033
other
C2N4
6
36
36.59