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-1225523
-6.931673
-6.392867
6.517479
other
Er3Th1
4
187
125.59
mp-567885
6.109995
2.257461
-3.210037
other
C6N8
14
187
140.3
mp-1183222
-8.271541
-5.313367
1.983888
other
Ag1Pd1
2
187
32.09
mp-1039074
-6.120662
-6.024387
0.502517
other
Mg1Bi1
2
187
56.24
mp-1186271
-7.321281
-10.800179
5.450073
other
Na1Mg149
150
187
3,372.93
mp-1216264
-7.168333
-1.219497
4.067808
other
V1Ru3
4
187
55.67
mp-1079260
-4.823333
-2.728936
-4.081368
other
In4Se4
8
187
256.09
mp-1220360
-7.152405
-1.581735
4.234958
other
Nb1Os3
4
187
61.1
mp-1016326
-7.790884
-10.846655
5.880393
other
Mg7Cr1
8
187
173.85
mp-1094865
-5.227028
-3.104072
3.967715
other
Mg1Ti3
4
187
73.7
mp-1185591
-7.319707
-10.797891
5.398335
other
Mg149Ag1
150
187
3,409.86
mp-1219196
-6.878991
-4.69245
5.443212
other
Sm2Ge3
5
187
124.03
mp-1185586
-7.308824
-10.838016
5.4421
other
Mg149Be1
150
187
3,404.7
mp-1186770
-5.206663
-7.224868
4.454022
other
Sr1Tb1
2
187
80.15
mp-1039142
-5.101739
-7.358869
3.856941
other
Ca3Mg1
4
187
151.05
mp-1219243
-7.213378
-6.659166
2.73736
other
Si1Ag3
4
187
69.05
mp-1227388
-6.845033
-4.579008
0.372512
other
Bi3Pd5
8
187
175.82
mp-1183227
-8.344047
-6.165187
1.91859
other
Ag1Au1
2
187
35.04
mp-1009129
17.333101
9.709381
7.097474
other
Mg1O1
2
187
20.03
mp-1009219
1.170212
1.713758
2.663098
other
Hf1N2
3
187
35.11
mp-971875
-6.150021
-3.921285
3.726302
other
U1Ga1
2
187
39.02
mp-1187259
-5.142725
-7.488761
3.728699
other
Sr1Eu1
2
187
101.98
mp-1224300
-6.098309
-4.551383
4.672235
other
Hf1Sc1
2
187
46.41
mp-1016298
-7.844792
-10.927242
5.96364
other
Mg7V1
8
187
173.43
mp-1185584
-7.290364
-10.85098
5.407309
other
Mg149Cl1
150
187
3,424.29
mp-1184069
-8.9484
-1.607966
2.839536
other
Cu1Ni1
2
187
21.69
mp-991
0.324111
2.063076
2.354786
other
W1N1
2
187
20.83
mp-1226422
-8.338893
-0.546251
3.635326
other
Co3Rh1
4
187
46.8
mp-1185568
-7.328685
-10.806596
5.40618
other
Mg149Pt1
150
187
3,439.65
mp-1187794
-4.843419
-3.087539
1.703044
other
U1Br1
2
187
47.12
mp-1219506
-7.461368
-1.739387
3.423107
other
Rh3W1
4
187
59.12
mp-1459
0.705152
1.560704
2.682945
other
Ta1N1
2
187
21.63
mp-1185562
-4.945757
-6.743569
3.525291
other
Cs1Gd1
2
187
101.3
mp-1094611
-6.324634
-6.071469
3.655847
other
Mg2Ga4
6
187
119.9
mp-1219922
-7.573748
-1.254729
3.876429
other
Ni1Ru1
2
187
25.23
mp-1185271
-5.917428
-5.566831
5.193269
other
Li1Pa1
2
187
45.36
mp-1186459
-7.368978
-1.648254
4.0092
other
Pd1Ru1
2
187
29.25
mp-1009817
-4.019216
-0.424131
3.049889
other
Ta1C1
2
187
23.32
mp-1221532
-9.620746
-4.7918
3.425455
other
Mn1Zn3
4
187
56.35
mp-1215923
-6.307938
-6.281691
6.403718
other
Y1Th1
2
187
64.16
mp-1221705
-6.604641
-2.555658
0.978342
other
Mn3Sb2
5
187
86.74
mp-1226559
-8.442518
-0.148214
3.704095
other
Co3Ni1
4
187
42.5
mp-1185583
-7.328896
-10.852892
5.467788
other
Mg149Re1
150
187
3,446.95
mp-1186683
-6.160088
-6.091885
5.925382
other
Pm1Zr1
2
187
55.78
mp-1183396
-5.247706
-6.84261
4.735098
other
Ba1Th1
2
187
80.37
mp-1094441
-7.836886
-9.500674
6.920286
other
Y2Mg4
6
187
159.48
mp-1216312
-6.814577
-1.030463
3.927458
other
V1Os1
2
187
28.16
mp-1187365
-6.00179
-6.019484
5.818772
other
Tb1Pa1
2
187
54.83
mp-1023924
-5.216251
1.451807
-4.326993
other
Mo1S2
3
187
152.2
mp-1186775
-5.186691
-7.556106
3.889814
other
Sr1Yb1
2
187
96.77
mp-1216545
-5.860484
-6.802316
1.562946
original
Tl3Bi1
4
187
124.02
mp-1219398
-4.685454
-4.273654
6.129774
other
Sc2Si3
5
187
92.28
mp-1229105
-7.180812
-6.10328
1.593157
other
Ag3Sb1
4
187
82.27
mp-1023633
-7.48172
-10.410497
6.366316
other
Ce1Mg15
16
187
378.66
mp-1001827
-4.782729
-0.252667
2.78092
other
Ir1C1
2
187
21.54
mp-1094487
-7.43396
-8.307027
6.666993
other
Y3Mg3
6
187
171.64
mp-1023619
-7.612669
-10.336243
6.265278
other
Mg15Zr1
16
187
359.08
mp-1184350
-5.437206
-4.503213
3.935232
other
Er1U1
2
187
50.89
mp-1016317
-7.741569
-10.917575
5.591112
other
Mg7Fe1
8
187
159.76
mp-1008832
-2.858516
-0.164532
2.664848
other
Hf1C1
2
187
26.36
mp-1216102
-6.824163
-4.751846
5.492564
other
Y2Ge3
5
187
118.75
mp-1185966
-7.454807
-5.685529
5.312408
other
Mg1Sc3
4
187
99.23
mp-1094265
-7.807519
-10.026343
6.563015
other
Mg5Ti1
6
187
128.13
mp-1186582
-6.622898
-6.529001
6.721155
other
Pm1Hf1
2
187
54.76
mp-1185590
-7.284306
-10.849788
5.393013
other
Mg149I1
150
187
3,423.81
mp-1874
-4.061429
-0.085046
-3.760525
other
Nb1S2
3
187
145.86
mp-1038976
-7.730665
-9.576901
6.38946
other
Ce1Mg5
6
187
139.2
mp-1184231
-7.282525
-10.802138
5.478067
other
Ac1Mg149
150
187
3,493.95
mp-7760
-6.160303
-6.134481
2.826469
other
Al1Sn1
2
187
50.47
mp-1094800
-6.775831
-9.323709
3.382915
other
Mg1Sn1
2
187
48.35
mp-1025799
-6.581266
1.458084
-3.996524
other
Mo3Se6
9
187
280.75
mp-1185536
-7.248559
-10.837277
5.458066
other
K1Mg149
150
187
3,465.49
mp-1224042
-8.175406
-3.802967
2.892621
other
In3Pt5
8
187
162.81
mp-974435
-5.287274
-0.352892
3.253411
other
Re3N1
4
187
49.31
mp-1220208
-7.051461
-6.912866
7.337156
other
Nd3Y1
4
187
138.86
mp-1185596
-7.308746
-10.812301
5.42583
other
Mg149Al1
150
187
3,417.9
mp-867841
-6.111354
-1.057221
4.157079
other
Ga1Tc1
2
187
28.85
mp-1094322
-5.317589
-3.09271
3.892956
other
Mg1Ti5
6
187
108.59
mp-1185534
-7.281017
-10.786264
5.499095
other
Ho1Mg149
150
187
3,481.85
mp-1187094
-5.789783
-4.870105
3.488097
other
Sm1Pu1
2
187
67.1
mp-1183965
-4.341501
-7.149087
2.266695
other
Cs1Eu1
2
187
138.24
mp-1183297
-5.135903
-7.275588
4.30844
other
Ba1Pr1
2
187
91.33
mp-1018028
-4.085453
-0.726497
-3.67311
other
Ti1S1
2
187
29.74
mp-1185639
-7.338388
-10.78576
5.514246
other
Mg149Ti1
150
187
3,413.83
mp-1218350
-4.996335
-7.453921
3.650392
other
Sr1Ca1
2
187
100.2
mp-2305
-4.796692
0.045589
3.047546
other
Mo1C1
2
187
20.71
mp-998899
2.238229
1.705191
1.912166
other
Y1N1
2
187
30.05
mp-1039055
-7.238805
-10.817195
4.908804
other
Mg3Cd1
4
187
87.93
mp-1224777
-5.666854
-1.137301
3.916182
other
Ga1Re1
2
187
29.89
mp-1224926
-7.372819
-0.15514
4.340809
other
Ga1Fe1
2
187
26.36
mp-1039011
-7.48246
-6.933431
2.327734
other
Mg1Cd5
6
187
128.28
mp-1219889
-7.109371
-6.925858
7.44759
other
Pr8Ho4
12
187
412.9
mp-1023488
-7.258297
-10.932108
5.064385
other
Mg15Sb1
16
187
359.86
mp-1224750
-7.211474
-6.907239
7.195249
other
Gd1Dy1
2
187
66.5
mp-1039028
-6.686335
-10.775844
5.992827
other
Ca1Mg5
6
187
155.28
mp-1023507
-7.506048
-10.843546
5.463034
other
Mg15Mn1
16
187
353.41
mp-1185570
-7.298429
-10.809915
5.395558
other
Mg149Pb1
150
187
3,423.31
mp-1039385
-5.118847
-7.346952
3.820066
other
Ca5Mg1
6
187
240.79
mp-1185634
-7.293637
-10.837565
5.442125
other
Mg149Si1
150
187
3,418.65
mp-1222385
-6.848937
-4.596027
5.36704
other
Lu2Ge3
5
187
111.75