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-1217915
-4.168488
-0.096631
-3.586502
other
Ta2S4
6
63
226.81
mp-1043432
12.129333
10.904883
-2.474023
other
Mo4O10
14
63
276.6
mp-1185857
-8.573721
-5.899831
2.008256
other
Mg2Au4
6
63
104.38
mp-1106153
-8.144251
-6.219263
5.333587
other
Er6In10
16
63
400.46
mp-1094285
-4.892632
-7.447966
3.545658
other
Sr4Mg2
6
63
257.46
mp-567626
-8.521889
-7.445287
3.77223
other
Mg2Zn4
6
63
106.2
mp-1405
-6.961598
-4.536291
5.651081
other
Tb2Ge2
4
63
91.21
mp-999338
-8.989443
-6.372107
3.697407
other
Nd2Au2
4
63
104.28
mp-1188557
-8.057994
-6.387229
5.505794
other
Sm6In10
16
63
430.57
mp-2580
-4.793836
0.069244
3.104744
other
Nb2B2
4
63
46.18
mp-600098
15.673298
5.608521
0.374757
other
Si32O64
96
63
1,996.46
mp-1094469
-7.647181
-10.805532
4.937417
other
Mg4Zn2
6
63
119.53
mp-1188074
-8.809007
-5.923528
3.094546
other
Zn6In2
8
63
151.49
mp-1675
-6.971106
-4.406752
5.559251
other
Ho6Ge8
14
63
302.32
mp-1094145
-8.16059
-10.953832
5.941894
other
Mg4Fe2
6
63
107.51
mp-1014296
5.924479
2.340024
-2.694717
other
C6N2
8
63
68.91
mp-30604
-7.994547
-5.823483
6.024683
other
Dy2Ga2
4
63
94.49
mp-13453
-8.356443
-4.317937
2.251291
other
Be2Pd6
8
63
105.04
mp-1077503
-5.164477
-2.907367
4.597587
other
Ti2Si4
6
63
85.07
mp-569701
-5.870875
-3.48786
-1.621207
other
Er2Te6
8
63
259.94
mp-568992
-7.431483
-3.240903
4.326993
other
Zr4Ir4
8
63
146.61
mp-16373
-6.545714
-3.571418
4.025163
other
U2Ge4
6
63
124.49
mp-13010
-7.13518
-5.779742
3.800945
other
Y2Sn4
6
63
158.2
mp-1094981
-6.299356
-5.733251
0.551308
other
Mg2Bi4
6
63
177.24
mp-999145
-7.968174
-5.683407
6.209206
other
Sm2Ni2
4
63
83.12
mp-13134
11.574691
8.620021
-0.587421
other
Ga4O6
10
63
96.5
mp-628773
-4.480502
-2.968874
-4.054494
other
Sn2Se2
4
63
137.24
mp-568616
-0.927199
0.832678
-3.387207
other
Nb4Br10
14
63
492.98
mp-1077479
-6.161419
-5.816758
0.85636
other
Eu2Bi4
6
63
193.02
mp-9095
-4.769716
-4.500781
6.077535
other
Tb4Si6
10
63
218.49
mp-1039357
-7.655427
-8.574598
6.147296
other
Ce2Mg4
6
63
143.71
mp-1208462
-6.962838
-4.433069
5.586072
other
Tb6Ge8
14
63
310.99
mp-1094198
-8.594985
-7.047717
3.634207
other
Mg2Zn4
6
63
102.89
mp-1001612
-5.008099
-4.240071
6.18662
other
Lu2Si2
4
63
79.81
mp-30872
-7.196877
-5.554856
3.781025
other
Th2Sn4
6
63
171.61
mp-1097
-4.872065
-0.119625
3.224174
other
Ta2B2
4
63
45.04
mp-542632
-8.078444
-5.626977
5.881805
other
Gd2Ni2
4
63
81.25
mp-976425
-7.471666
-6.835055
6.935753
other
Nd4Mg2
6
63
190.88
mp-7138
-5.859004
-5.101217
0.838402
other
Yb2Sb4
6
63
168.45
mp-971684
6.140771
2.233107
-3.203242
other
C12N16
28
63
314.56
mp-20712
-6.204121
-6.236413
3.997561
other
Eu2Ge2
4
63
105.62
mp-1211097
-7.561125
0.011444
5.365271
other
Li2Fe2
4
63
49.06
mp-1105026
-5.835238
-3.565981
-1.612657
other
Ho4Te10
14
63
419.6
mp-1189902
-7.45884
-7.454566
5.189695
other
Tb6Tl10
16
63
441.04
mp-1002133
-7.543785
-6.045881
5.793057
other
La2Ga2
4
63
111.81
mp-20576
-7.861753
-3.467453
2.738029
other
Ge4Pt6
10
63
162.25
mp-1084847
-5.898335
-3.467456
-1.617925
other
Tb2Te6
8
63
247.73
mp-1094243
-6.385244
-6.341741
2.094049
other
Mg2Sn4
6
63
155.38
mp-1045856
10.70311
9.283916
0.192808
other
Sn10O14
24
63
418.12
mp-16372
-6.872941
-4.804281
5.328076
other
Th2Ge4
6
63
141.27
mp-1039317
-5.185952
-7.361769
3.954431
other
Ca4Mg2
6
63
212.07
mp-1094757
-7.384712
-7.103788
2.538823
original
Mg2Cd4
6
63
125.63
mp-1106334
-7.484756
-7.536684
5.247716
other
Sm6Tl10
16
63
455.23
mp-1194100
8.986555
14.739963
-0.78002
other
Mn12O16
28
63
412.62
mp-173
-6.713714
-2.396099
6.31241
other
Mn2Al12
14
63
208.61
mp-1078585
-7.429337
-6.095362
6.501128
other
Gd4Al4
8
63
191.68
mp-1018047
-7.388412
-6.240923
4.421061
other
La2Sn2
4
63
129.05
mp-1205455
-4.166338
-2.769839
-3.204898
other
Sn4Se4
8
63
1,459.37
mp-30854
-7.712882
-3.753984
3.021777
other
U2Pt4
6
63
118.27
mp-12910
-3.947528
-1.597313
-5.319045
other
Ge2S2
4
63
82.59
mp-1507
-5.814254
-3.423801
-2.635367
other
Hg2Te2
4
63
120.31
mp-1978272
-5.568618
-1.868794
-2.951622
other
Fe2Se2
4
63
68
mp-1536913
9.649173
2.781672
-2.478249
other
H2F2
4
63
34.11
mp-1063779
7.316558
8.659062
-1.010821
other
Cs2O2
4
63
112.85
mp-1094804
-7.382183
-7.111782
2.53157
other
Mg4Cd8
12
63
253.91
mp-1094440
-7.804511
-10.625181
5.015335
other
Mg4Zn2
6
63
113.64
mp-559906
11.461907
9.11272
1.660824
other
U6O16
22
63
334.95
mp-541441
-6.106627
-3.292516
-2.344489
other
Zn2Te2
4
63
101.12
mp-30408
-8.587993
-5.845202
1.976757
other
Mg8Au24
32
63
552.41
mp-995195
7.602527
1.044073
-4.345346
other
H2C2
4
63
41.34
mp-27932
-6.388085
-6.796573
3.562064
other
Li18Ge8
26
63
398.43
mp-1043875
6.339148
12.524162
-1.522765
other
Ni8O12
20
63
205.35
mp-1080689
-5.882293
-3.418217
-1.662885
other
Lu2Te6
8
63
239.57
mp-600052
15.550858
5.693129
0.370067
other
Si20O40
60
63
1,046.51
mp-1371977
8.058198
13.895471
-1.83354
other
Mn4O8
12
63
131.09
mp-11799
-7.870808
-5.644587
6.102992
other
Pr2Ni2
4
63
88.49
mp-1017507
-9.172153
-6.408521
3.941686
other
Tm2Au2
4
63
90.23
mp-569480
-5.553027
-1.300838
4.354338
other
U4Re8
12
63
208.6
mp-999198
-5.394721
0.414514
3.244656
other
B2Mo2
4
63
41.26
mp-663
-6.891603
-4.720136
5.580019
original
Nd2Ge2
4
63
100.72
mp-21093
-6.084782
-7.261859
3.056545
other
Sr2Pb2
4
63
146.42
mp-31324
-6.65839
-7.017841
3.39162
other
Li4In2
6
63
110.47
mp-17381
-6.910244
-4.556769
5.657167
other
Y6Ge8
14
63
309.84
mp-30485
-5.388862
-7.3539
3.809576
other
Ca6Zn2
8
63
275.66
mp-27976
-0.458561
0.734891
-3.573454
other
Sm2Br6
8
63
244.94
mp-2661
-3.973966
-5.562447
5.263895
other
Sr2Si2
4
63
110.84
mp-1185748
-7.660399
-9.316418
3.863921
other
Mg4Ag2
6
63
114.82
mp-613
-6.596535
-3.148237
-0.41
other
Te4Pd6
10
63
198.61
mp-1237266
-3.909338
-5.857684
5.131751
other
Ba2Si2
4
63
132.54
mp-1094574
-6.932483
-11.036072
5.509348
other
Li2Mg4
6
63
130
mp-1189763
-7.442043
-7.463222
5.206601
other
Dy6Tl10
16
63
435.81
mp-1047356
8.552525
1.98357
0.188546
other
Ta2F10
12
63
170.22
mp-1397279
-4.900047
-7.439955
3.550922
other
Sr4Mg2
6
63
256.65
mp-865583
-7.273398
-6.864701
6.67029
other
Y4Mg2
6
63
176.62
mp-1041606
8.761898
1.957
-0.689922
other
Cr2F10
12
63
205.26
mp-1094878
-6.299476
-5.74736
0.543869
other
Mg2Bi4
6
63
173.46
mp-640118
-8.835712
-6.013359
4.767269
other
Ce4Zn12
16
63
308.73
mp-29210
-6.335979
-6.936886
3.729643
other
Li4Ga2
6
63
90.33
mp-12775
-7.839721
-3.407068
5.334474
other
Th2Ru2
4
63
89.37
mp-1094179
-7.712242
-8.962474
6.462739
other
La2Mg4
6
63
169.93