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-1185245
-6.912615
-6.754026
6.836435
other
Li1Y3
4
225
118.62
mp-754125
6.983284
8.437891
-1.160125
other
Nd1O2
3
225
45.74
mp-1186079
-3.923874
-6.176827
4.446922
other
Na3Si1
4
225
98.07
mp-1185569
-5.093219
-7.446938
3.367511
other
Cs1Eu3
4
225
216.86
mp-21276
-3.205892
-2.168309
-5.558615
other
Pb4S4
8
225
213.44
mp-926
-5.236361
-3.978192
1.70012
original
Pu1P1
2
225
46.38
mp-1062345
1.870347
2.682649
1.056355
other
Li2N1
3
225
28.43
mp-1039270
-6.668334
-7.202109
5.483797
other
Ce1Mg1
2
225
66
mp-1232419
-4.015215
-6.933462
1.723078
other
Cs3Ac1
4
225
329.95
mp-1183948
-4.569636
-7.146412
3.052704
other
Cs1Ba3
4
225
284.68
mp-33018
-4.686695
-6.224347
0.684056
other
Rb3Sb1
4
225
174.06
mp-1183510
-5.608438
-7.326474
4.175525
other
Ca3Os1
4
225
100.37
mp-1560
-5.67756
-4.03745
-1.042759
other
La1Te1
2
225
68.47
mp-23193
1.248257
2.384814
-5.648712
other
K1Cl1
2
225
62.03
mp-979939
-5.878116
-7.046164
4.512426
other
Yb3W1
4
225
105.46
mp-30779
-8.010766
-9.273043
6.786161
other
Sm1Mg3
4
225
99.26
mp-1183177
-7.844476
-6.530505
2.218408
other
Ag3W1
4
225
69.01
mp-1232234
-3.413378
-4.124629
-3.007931
other
Pm1Se1
2
225
51.9
mp-984785
-7.50651
-9.739407
6.331849
other
Ac1Mg3
4
225
114.1
mp-8041
-3.815145
-1.897335
-5.053137
other
Rb2S1
3
225
117.61
mp-20812
2.249722
2.152249
1.192582
other
In1N1
2
225
26.11
mp-998979
-5.706708
-2.923694
3.843137
other
Ti3In1
4
225
73.26
mp-983412
-7.256111
-5.44737
3.210498
other
Ga3Au1
4
225
74.25
mp-1187476
-6.282248
-1.433186
4.282881
other
Th1Tc3
4
225
72.31
mp-559962
15.752609
5.580328
0.413481
other
Si24O48
72
225
1,738.66
mp-1187441
-5.289925
-3.460868
4.073188
other
Th1Ti3
4
225
80.27
mp-1187394
-6.029952
-1.032911
4.172633
other
Tc3Sn1
4
225
63.84
mp-644500
-9.623279
-4.957603
3.487943
other
Zn7Mo1
8
225
114.47
mp-1184887
-3.823989
-7.155153
2.132846
other
K3Ba1
4
225
288.35
mp-30482
-5.467642
-7.36134
3.719337
other
Ca3Tl1
4
225
130.5
mp-1009822
-1.639333
0.523009
2.359456
other
Sn1C1
2
225
27.48
mp-976321
-5.614481
-6.974913
3.87947
other
Li3Pr1
4
225
99.56
mp-1184300
-6.824648
-9.820941
5.979295
other
Eu1Mg3
4
225
105.14
mp-1183471
-7.829134
-6.975708
2.612275
other
Ca1Ag3
4
225
82.24
mp-1187130
-5.028274
-7.546799
3.639912
other
Sr3Eu1
4
225
213.64
mp-2269
-5.121197
-3.583548
0.851422
other
U1Te1
2
225
58.4
mp-20711
-7.172035
-0.210218
3.21181
other
Fe3Ge1
4
225
47.56
mp-23241
-6.884117
-5.874798
3.415072
other
Y1Bi1
2
225
63.41
mp-977299
-5.637754
-6.890839
3.66842
other
Li3Pu1
4
225
92.47
mp-11344
11.809374
8.743451
1.871026
other
Pr1O1
2
225
32.75
mp-982246
-8.317911
-6.152913
2.130964
other
Pb1Au3
4
225
84.43
mp-1315
-3.533416
-1.80176
-5.986797
other
Mg1S1
2
225
35.33
mp-504731
8.434467
1.53969
1.930099
other
Eu1F2
3
225
48.8
mp-30760
-6.470523
-7.004872
3.069531
other
Li3Pb1
4
225
72.98
mp-1895
11.703517
8.610529
1.638482
other
Ta1O1
2
225
22.89
mp-2857
2.125054
1.83319
1.974943
other
Sc1N1
2
225
22.95
mp-1002165
-1.355831
0.313807
1.796712
other
Ge1C1
2
225
21.11
mp-1058119
-3.598138
-1.8113
-5.203157
other
K1S1
2
225
69.01
mp-749
2.310764
1.714687
1.915357
other
Sm1N1
2
225
32.39
mp-2364
11.764977
9.057735
2.266595
other
Pa1O2
3
225
40.12
mp-974058
-9.353987
-4.809389
3.827298
other
Li1Cu3
4
225
46.51
mp-1187610
-7.899261
-9.50085
6.835896
other
Tm1Mg3
4
225
94.9
mp-1186895
-5.642049
-1.02457
3.947842
other
Re3H1
4
225
53.78
mp-973623
-6.258834
-5.635576
0.622243
other
Ge1Bi3
4
225
115.64
mp-11335
-4.587462
-2.87034
-3.813571
other
Be1Se1
2
225
29.85
mp-971744
-8.220971
-0.545696
3.68274
other
Zn1Co3
4
225
46.04
mp-974822
-3.609827
-4.764614
0.680723
other
Rb3P1
4
225
150.42
mp-1094636
-6.656465
-10.102289
4.819935
other
Mg1Ga1
2
225
45.12
mp-1206710
11.670421
8.718659
1.811301
other
La1O1
2
225
33.99
mp-1184002
-4.660697
-7.511052
3.132339
other
Cs1Sr3
4
225
249.76
mp-2616
11.255867
8.672065
2.228564
other
Np1O2
3
225
39.87
mp-974760
-3.859681
-7.072068
2.058893
other
Rb3Th1
4
225
251.48
mp-1183671
-5.453716
-7.408046
4.013904
other
Ca1Eu3
4
225
178.03
mp-1187692
-7.554257
-6.312396
4.312299
other
U1Cd3
4
225
96.33
mp-1184492
-5.625333
-6.631141
2.914582
other
In3B1
4
225
90.7
mp-975073
-9.059206
-6.346813
2.630408
other
Nd1Au3
4
225
85.8
mp-1184312
-5.577284
-7.314362
4.056684
other
Eu3Mg1
4
225
148.74
mp-24650
2.959745
-0.47298
-1.866045
other
Y1H2
3
225
35.1
mp-973265
-4.127941
-7.174182
2.847002
other
K3Zr1
4
225
203.38
mp-1104585
-3.561832
1.847108
2.874844
other
Ho1B12
13
225
104.57
mp-30569
-8.304998
-0.536013
4.316175
other
Zr6Co23
29
225
377.99
mp-13175
0.885614
2.343197
1.294791
other
Pt1N1
2
225
22.67
mp-2083
-7.7313
-3.894982
2.861654
other
Sn2Ir1
3
225
64.53
mp-1006151
-5.333084
-6.932396
3.11345
other
Na3Pu1
4
225
147.34
mp-710
-3.938455
-3.986592
0.836024
original
Sm1P1
2
225
49.22
mp-2759
-7.840433
0.526688
5.583532
other
Ho6Fe23
29
225
435.61
mp-6927
11.868049
8.584339
1.710212
other
Np1O1
2
225
28.66
mp-1057286
3.296254
-0.609692
-2.221143
other
Cs1H1
2
225
65
mp-2288
-4.583763
-2.382776
-2.266213
other
Pu1Se1
2
225
50.95
mp-22921
-6.977264
-5.796319
3.425354
other
Tb1Bi1
2
225
63.55
mp-464
-3.160483
-4.052714
-3.010106
other
Ho1Se1
2
225
46.49
mp-8772
-3.532085
1.826474
2.845853
other
Sc1B12
13
225
101.48
mp-1094298
-4.963888
-7.524107
3.589816
other
Sr1Mg1
2
225
85.71
mp-1018144
2.929098
-0.389136
-1.841819
other
La1H3
4
225
43.27
mp-12570
-3.5607
1.90177
2.863964
other
Th1B12
13
225
109.75
mp-1120739
1.135463
1.866506
-5.346992
other
Ca1Cl2
3
225
75.53
mp-10764
-3.709992
-1.379927
-5.711282
other
Hg1S1
2
225
43.47
mp-19009
8.003626
12.317121
-0.83943
other
Ni1O1
2
225
18.34
mp-862681
-7.940871
-9.462934
6.805842
other
Er1Mg3
4
225
95.31
mp-1688
-5.675615
-3.887966
0.583775
other
Er1As1
2
225
47.49
mp-1213702
7.319786
8.71307
-1.037217
other
Cs1O1
2
225
55.62
mp-978554
-5.590635
-1.28608
4.153959
other
Sm1Re3
4
225
69.74
mp-1186802
-8.27074
-6.829581
2.826074
other
Pu1Ag3
4
225
88.95
mp-1183323
-4.814117
-7.242437
3.629917
other
Ba3Mn1
4
225
176.84
mp-865858
-9.022017
-6.432218
2.607935
other
Pa1Au3
4
225
81.98
mp-1185950
-6.413127
-1.937312
1.560381
other
Mn3Sb1
4
225
53.68
mp-1674
-3.364923
-4.108857
-3.1932
other
Pr1Se1
2
225
54.76
mp-10109
-3.414644
-3.165734
-2.899789
other
Np1S1
2
225
43.63
mp-1058944
-3.780936
-5.996232
5.026754
other
K1Si1
2
225
77.9
mp-1009555
10.187806
13.760101
-0.759257
other
Cr1O2
3
225
27.07