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-865849
-8.345244
-6.219829
2.758698
other
Na1Yb1Au2
4
225
89.55
mp-1190582
3.442422
-0.773367
-2.437936
other
Mg6Nb1H16
23
225
215.67
mp-979950
-6.890244
-8.922431
5.801039
other
Ac1Yb1Mg2
4
225
132.61
mp-977545
-6.118581
-1.093911
4.126603
other
Zr1Tc2W1
4
225
64.75
mp-1184512
-8.655308
-6.197796
5.201442
other
Gd1Y1Cu2
4
225
83.99
mp-1205992
8.897452
1.595288
1.29491
other
Hf1Mn1F6
8
225
136.76
mp-1114101
-0.391806
1.230642
-4.619935
other
Rb2Tl2Br6
10
225
410.83
mp-861947
-7.533518
-6.875906
6.362196
other
Li1Pm2Ga1
4
225
100.66
mp-1080142
4.66348
4.264601
-3.095522
other
Co1N6Cl3
10
225
131.08
mp-1185007
-8.268103
-6.7191
3.682666
other
La1Al1Ag2
4
225
89.76
mp-863759
-4.957277
-6.38557
0.88586
other
Cs1K2Bi1
4
225
170.84
mp-973890
-7.750922
-2.839516
5.064556
other
Ho1Hf1Ru2
4
225
71.04
mp-979260
-8.094217
-2.678187
5.484557
other
Sc6Ga16Ru7
29
225
469.41
mp-1184588
-6.221863
-2.716635
3.985285
other
Hf2Mo1Pt1
4
225
70.97
mp-27304
1.782884
2.714337
-5.500371
other
K2Mn1Cl6
9
225
226.07
mp-1111491
9.084457
0.499884
0.928326
other
K3Fe1F6
10
225
168.16
mp-1184673
-8.629735
-6.213431
6.722853
other
Ho2Zn1Tc1
4
225
83.52
mp-1186606
-8.091496
-6.702982
5.850069
other
Pm1Lu1In2
4
225
105.94
mp-1206365
-7.443641
-1.544403
2.742903
other
Zn1Si1Ni2
4
225
46.07
mp-1184634
-8.564308
-6.712956
5.340983
other
Ho2Zn1Ag1
4
225
90.4
mp-972810
-5.802486
-0.853846
3.99033
other
Si1Tc2W1
4
225
56.1
mp-1110567
9.080397
2.050173
1.492571
other
Na3Mo1F6
10
225
153.43
mp-1187602
-8.656803
-2.221529
3.088908
other
Tm1Ga1Ni2
4
225
60.18
mp-16268
-3.332083
-3.980026
0.621699
other
Cd1Ge1P2
4
225
74.19
mp-862966
-8.074264
-7.358479
3.313001
other
Pm1Tl1Ag2
4
225
89.44
mp-977367
-8.296235
-2.978976
3.400757
other
Cd1In1Rh2
4
225
65.66
mp-972653
-7.631926
-7.413248
5.57448
other
Sm1Ho1Tl2
4
225
109.73
mp-1079835
6.349468
3.73119
-2.199736
other
Mg1Br2N6
9
225
130.1
mp-865202
-8.141121
-4.124459
3.357025
other
Tm1Cd1Pt2
4
225
74.52
mp-862423
-8.196018
-4.550055
4.987737
other
Sc2Tc1Pd1
4
225
68.61
mp-865409
-6.027163
-1.528563
4.358895
other
U1Tc2Sn1
4
225
72.88
mp-1111894
1.27833
2.093509
-5.459932
other
Na3Gd1Cl6
10
225
306
mp-1209289
8.399011
1.111137
1.868821
other
Rb2Gd6F20
28
225
408.83
mp-1014005
-7.478485
-1.638959
3.737151
other
Mn2Si1Rh1
4
225
53.86
mp-1186778
-5.291979
-7.409745
3.961001
other
Sr1Yb1Eu2
4
225
180.21
mp-1186308
-9.036221
-6.722479
2.559119
other
Nd1Hg1Au2
4
225
89.24
mp-1183552
-7.970143
-6.934706
4.038688
other
Ca1Pm1Ag2
4
225
100.24
mp-861728
-6.865727
-4.419515
2.022061
other
Pu1Sb1Pd2
4
225
79.65
mp-1183556
-7.722773
-7.008692
4.805828
other
Ca1Y1Cd2
4
225
106.5
mp-866068
-9.021771
-6.269804
2.871771
other
Tb1Mg1Au2
4
225
82.14
mp-1113850
8.433935
1.291441
0.902416
other
Rb3As1F6
10
225
200.61
mp-1183608
-5.99042
-7.136744
3.893708
other
Ca2Zn1In1
4
225
106.12
mp-980197
-8.275569
-4.309249
3.680153
other
Yb1Er1Pt2
4
225
82.06
mp-865714
-7.76264
-7.077027
2.438914
other
Li2Hg1Au1
4
225
63.93
mp-982009
-7.631803
-6.574732
5.027926
other
Pr2Cd1Sn1
4
225
116.26
mp-867224
-7.769424
-6.975584
4.827575
other
Ca1Nd1Cd2
4
225
112.14
mp-980059
-8.906449
-5.56429
6.165839
other
Tb1Pm1Rh2
4
225
82.97
mp-973067
-8.055359
-2.693535
5.604455
other
Sc1Ga2Ru1
4
225
61.25
mp-1222703
-3.560497
1.802839
2.98488
other
La1Sm1B12
14
225
141.11
mp-865771
-8.302485
-5.081247
2.963401
other
Yb1In1Pd2
4
225
76.65
mp-1186201
-6.222782
-7.118143
2.976664
other
Na1Yb1Pb2
4
225
115.46
mp-1187085
-5.259208
-7.222386
3.655988
other
Sr2Li1Ga1
4
225
127.23
mp-1194458
-7.722373
-3.219057
4.344234
other
Ti6Ga16Ni7
29
225
417.01
mp-1186188
-7.082425
-7.644413
2.018941
other
Na1Tl1Hg2
4
225
103.14
mp-1186615
-8.77275
-5.435893
6.496708
other
Pm1Nd1Ru2
4
225
86.23
mp-631481
-5.003314
-6.24361
4.112401
other
Na1Sr1Nb2
4
225
97.65
mp-634945
3.11241
-0.803287
-2.126131
other
Eu2H6Ru1
9
225
104.6
mp-1199250
7.876879
2.696866
-1.38401
other
Ga4N12F24
40
225
450.64
mp-865125
-8.160955
-2.451354
3.453188
other
Mg1Ga1Rh2
4
225
55.53
mp-865043
-8.438235
-4.676766
2.315706
other
Mg1In1Pd2
4
225
66.57
mp-1184592
-6.582125
-2.67873
4.337193
other
Hf2Re1Pd1
4
225
70.3
mp-1018043
-6.206844
-2.880583
3.959221
other
Ti2In1Co1
4
225
65.84
mp-864985
-7.966448
-1.963342
3.600781
other
Mn1Zn1Ir2
4
225
54.3
mp-865969
-6.069488
-1.406251
4.271892
other
Lu1Re1Tc2
4
225
65.39
mp-1185034
-6.88061
-7.192242
3.161911
other
Li2Cd1In1
4
225
73.54
mp-1110960
-1.159985
2.70523
-2.775924
other
K3Bi1I6
10
225
531.05
mp-979424
-8.082631
-6.517936
5.684872
other
Y1Er1In2
4
225
103.9
mp-1183155
-7.252237
-1.583748
4.46177
other
Al2Ni1Os1
4
225
50.72
mp-1183592
-8.039043
-5.682559
3.424725
other
Ca1Yb1Pd2
4
225
85.81
mp-862823
-8.851817
-5.142433
4.073285
other
Pa1In1Cu2
4
225
73.08
mp-867853
-8.44488
-7.090512
3.465109
other
Sm1Cd1Ag2
4
225
86.71
mp-867252
-9.352901
-3.80066
3.2768
other
Li1Zn2Ni1
4
225
48.7
mp-1183890
-6.715666
-6.844084
3.243724
original
Eu2Ag1Sn1
4
225
116.01
mp-865949
-7.899057
-2.699061
4.995462
other
Tm1Np1Ru2
4
225
75.63
mp-569932
-5.93643
-3.226537
-2.739963
other
Tl7Ag36Te22
65
225
1,695.57
mp-981512
-8.266001
-4.362722
3.670801
other
Yb1Lu1Pt2
4
225
80.08
mp-1183757
-7.460023
-7.244256
5.40103
other
Ce1Sm1Tl2
4
225
116.57
mp-1184525
-7.894186
-3.182398
5.468699
other
Gd1Pa1Ru2
4
225
80.33
mp-1110925
-0.28941
1.007725
-4.272712
other
K3Pr1Br6
10
225
438.22
mp-1185078
-8.435039
-5.591902
3.638381
other
La1Yb1Pd2
4
225
92.2
mp-30393
-8.875153
-6.301665
2.892134
other
Lu1In1Au2
4
225
80.6
mp-862719
-8.291759
-6.426519
6.821551
other
Li1Y2Os1
4
225
83.3
mp-865282
-9.038277
-6.166832
6.798979
other
Tm2Ag1Ru1
4
225
81
mp-1111287
9.52959
2.283397
1.737869
other
Li3Mo1F6
10
225
129.17
mp-753571
9.708435
1.943846
-0.051886
other
Li1V1F6
8
225
106.99
mp-1186978
-8.1541
-4.00173
3.336285
other
Sc1Cd1Pt2
4
225
69.72
mp-862740
-5.921671
-7.348549
3.397056
other
Sr2Tl1Cd1
4
225
132.51
mp-865995
-8.637016
-6.253072
2.582973
other
Yb1Sn1Au2
4
225
86.95
mp-1185437
-7.956017
-7.77639
3.469045
other
Li1Th1Hg2
4
225
96.24
mp-1184227
-7.979893
-8.882398
6.403099
other
Er1Mg2Sc1
4
225
99.43
mp-862842
-8.019539
-6.554629
6.284527
other
Li1Pm2Pt1
4
225
93.82
mp-1185396
-8.373798
-6.445907
6.731655
other
Li1Pr2Ir1
4
225
95.75
mp-973606
-8.665569
-5.976117
6.193244
original
Nd2Ir1Au1
4
225
95.72
mp-975275
-4.944935
-6.259014
0.726406
other
Rb1Na2Sb1
4
225
121.74
mp-1214897
-8.480651
-0.450276
2.36862
other
Al2Ni21B6
29
225
277.52
mp-1184581
-7.995473
-2.398951
4.061026
other
Hf1Mn1Ir2
4
225
64.27
mp-981314
-8.513867
-5.507672
3.686372
other
Yb1Lu1Pd2
4
225
82.03
mp-28269
-0.500197
1.179196
-4.660662
other
Cs2Sb1Br6
9
225
330.83
mp-1186955
-8.210799
-4.476683
4.667361
other
Sc2Ni1Pd1
4
225
67.49
mp-1187179
-7.931999
-6.739808
6.206282
other
Sm2Mg1In1
4
225
111.91