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-1184865
-8.780642
-6.380665
4.951667
other
Ho1Sc1Zn2
4
225
81.08
mp-865533
-6.24013
-1.571466
4.117178
other
Ti2Re1Os1
4
225
59.38
mp-864783
-5.850415
-5.456077
1.111346
other
Yb2Sb1Au1
4
225
103.09
mp-1183474
-8.565678
-6.332454
3.023652
other
Ca1Ac1Au2
4
225
107.84
mp-979713
-8.670135
-5.419961
2.892045
other
Y1Hg1Pd2
4
225
76.84
mp-1185134
-8.622049
-5.791549
4.604992
other
La1Yb1Cu2
4
225
87.95
mp-865116
-7.256081
-7.384949
4.858754
other
Li1Sm1Tl2
4
225
99.77
mp-1184837
-8.014223
-8.894557
6.474437
other
Ho1Mg2Sc1
4
225
100.03
mp-977454
-8.318289
-5.260519
1.901484
other
Hg1Pd2Au1
4
225
67.99
mp-1206372
-7.678785
-8.327458
5.560161
other
La1Mg2Ag1
4
225
96.43
mp-982393
-7.87208
-7.049702
5.884165
other
Pm2Zn1Ag1
4
225
99.81
mp-1222699
-3.53257
1.79921
2.978988
other
La1Tm1B12
14
225
139.83
mp-567200
-7.922449
-5.584854
3.921287
other
Li2In1Ir1
4
225
56.17
mp-867273
-6.244856
-1.505981
4.240009
other
Be2Cu1Ir1
4
225
40.92
mp-972511
-7.796403
-6.729847
4.945875
other
Sm2Ag1Sn1
4
225
107.91
mp-865360
-8.759812
-5.970375
6.314241
other
Tm2Mg1Ir1
4
225
86.16
mp-28651
1.634854
2.766956
-5.663206
other
Cs2Ir1Cl6
9
225
272.94
mp-978929
-7.007058
-7.398341
4.23713
other
Sr1Ac1Zn2
4
225
117.84
mp-863711
-8.581299
-2.799557
3.834109
other
Er1Ga1Rh2
4
225
64.42
mp-1185755
-7.137594
-7.561529
2.671045
other
Mg2Cd1Hg1
4
225
85.07
mp-866668
-0.517888
1.172468
-4.470074
other
Rb2Sb1Br6
9
225
311.34
mp-865932
-6.374347
-6.461252
3.849485
other
Li2Ce1Pb1
4
225
87.3
mp-866126
-7.139757
-2.189806
4.344101
other
Dy1Nb1Ru2
4
225
69.58
mp-865358
-7.669297
-2.112871
4.292694
other
Dy1Sn1Ru2
4
225
70.66
mp-977365
-3.204115
-8.361547
1.681266
other
Yb1Eu1In2
4
225
332.08
mp-865761
-8.582052
-3.035203
3.924637
other
Th1Zn1Rh2
4
225
72.55
mp-972882
-8.237365
-6.0798
4.316711
other
Sc2Cd1Ag1
4
225
83.87
mp-1206656
-7.812596
-9.5488
6.563111
other
Tb1Mg2Cu1
4
225
84.43
mp-867260
-8.260327
-5.178483
1.998172
other
Cd1Ag1Pd2
4
225
66.24
mp-1236414
11.146594
13.068791
0.099201
other
Li1Cr1O2
4
225
31.27
mp-865788
-6.016171
-1.640225
4.403928
other
Tm1Pa1Tc2
4
225
77.98
mp-977534
-6.081759
-1.836102
4.107908
other
Zr1Nb1Tc2
4
225
67.2
mp-1111178
-1.14666
2.867432
-2.88618
other
K3As1I6
10
225
481.29
mp-1186519
-8.071465
-6.898861
4.149123
other
Pr1Eu1Ag2
4
225
107.07
mp-1185510
-8.025709
-3.873344
5.027049
other
Lu1Sc1Co2
4
225
65.81
mp-1110927
-0.330897
0.926246
-4.190519
other
K3Ce1Br6
10
225
437.66
mp-866170
-8.295206
-2.643748
3.851445
other
Ti1In1Rh2
4
225
62.33
mp-1185363
-7.415066
-7.570599
2.192875
other
Li1Mg1Hg2
4
225
77.16
mp-865546
-5.952548
-6.001079
1.243672
other
Yb2Ag1Bi1
4
225
109.97
mp-1187194
-5.836761
-2.187509
3.96133
other
Ta2Ti1Re1
4
225
66.75
mp-1113923
8.139707
1.228303
1.047553
other
Rb3Sb1F6
10
225
219.34
mp-21171
-7.599998
-0.731488
3.351229
other
Mn1Ga1Co2
4
225
45.79
mp-1063920
-5.020942
-6.681441
3.469913
other
Ba2U1Co1
4
225
117.83
mp-27832
1.515609
2.496783
-5.397065
other
Tl2Sn1Cl6
9
225
251.34
mp-19946
-9.13612
-5.084862
4.333525
other
Y1In1Cu2
4
225
73.32
mp-865260
-9.103969
-5.872738
6.464689
other
Lu2Zn1Ir1
4
225
77.12
mp-1183799
-8.59767
-6.868345
5.365915
other
Dy1Ho1Zn2
4
225
88.64
mp-1184271
-8.108618
-6.523173
5.72586
other
Er1Tm1In2
4
225
101.27
mp-1110955
-1.180221
2.480422
-2.341552
other
K3Pr1I6
10
225
544.75
mp-972244
-8.166801
-6.239173
5.904462
other
Tm2Zn1Ga1
4
225
85.11
mp-1114154
-1.258197
2.747876
-2.542787
other
Rb3Sc1I6
10
225
515.53
mp-10492
8.78945
1.103646
1.194813
other
Rb2Si1F6
9
225
145.72
mp-861501
-8.240055
-5.342432
1.838943
other
Ag1Hg1Pd2
4
225
67.48
mp-3337
-7.53552
-1.786181
2.844805
other
Ti6Si7Ni16
29
225
340.92
mp-861875
-6.285473
-2.975491
4.273087
other
Li1Hf2Re1
4
225
69.87
mp-865375
-9.063437
-5.758209
6.655558
other
Tm2Os1Rh1
4
225
74.89
mp-978529
-8.250439
-7.720184
4.553514
other
Sm1Tm1Hg2
4
225
102.25
mp-1193118
-7.325333
-2.300337
5.789131
other
Ti6Al16Ru7
29
225
451.83
mp-1111424
1.132379
2.172482
-5.774813
other
K3La1Cl6
10
225
381.45
mp-1209988
-8.363091
-0.48981
2.346924
other
Ni21Ge2B6
29
225
279.13
mp-672652
-6.98293
-0.996449
3.433256
other
Ta6Co16Ge7
29
225
358.77
mp-1186122
-7.488197
-6.588407
2.695627
other
Na1Cd2Rh1
4
225
73.29
mp-1113922
8.040413
0.882103
1.276893
other
Rb3Bi1F6
10
225
229.23
mp-865947
-8.095278
-6.681747
3.871112
other
Yb1Pr1Ag2
4
225
103.69
mp-1184261
-7.37476
-6.101128
1.29578
other
Eu1Bi1Au2
4
225
96.48
mp-1184691
-8.553971
-7.072941
4.988755
other
Ho2Ag1Hg1
4
225
96.02
mp-1113916
8.194726
0.652813
0.873979
other
Rb3Tl1F6
10
225
214.38
mp-1183819
-7.868125
-6.5316
5.010359
other
Ce1Nd1Zn2
4
225
113.57
mp-1211430
-7.697325
-9.694045
6.555166
other
La6Mg23Si1
30
225
784.39
mp-1183571
-8.092833
-4.647973
3.777596
other
Ca1Y1Pt2
4
225
83.38
mp-1185495
-6.8666
-4.794296
0.708241
other
Lu1Bi1Pd2
4
225
81.31
mp-1186567
-5.878908
-4.774101
5.249012
other
Pm1Cu2Si1
4
225
67.34
mp-1183065
-7.75012
-7.065594
2.951495
other
Ac1Ag2Pb1
4
225
104.42
mp-864824
-8.938561
-6.396342
2.965561
other
Li1Tb1Au2
4
225
79.9
mp-1187606
-8.887444
-6.02427
5.183942
other
Tm1Lu1Cu2
4
225
76.61
mp-865913
-6.457609
-6.949419
3.528543
other
Li2Ac1Sn1
4
225
94.17
mp-862912
-8.800362
-6.567418
2.472109
other
Pm1Hg1Au2
4
225
88.08
mp-865898
-7.325331
-1.165321
3.5614
other
Ti1Zn1Co2
4
225
47.49
mp-973153
-8.124252
-3.858613
3.258854
other
Sc1Al1Pt2
4
225
64.19
mp-1185285
-7.63822
-7.867273
3.154999
other
Li1Ac1Hg2
4
225
109.09
mp-978807
-7.919922
-7.25641
5.747798
other
Sm2Tl1Hg1
4
225
110.33
mp-1184380
-8.275871
-6.891417
5.555738
other
Gd2Zn1Ag1
4
225
97.72
mp-975609
-6.381318
-7.251906
2.821345
other
Li2Tl1Pb1
4
225
85.02
mp-1064892
-5.804738
-3.430048
3.999766
other
Zr2Ti1Al1
4
225
80.63
mp-979288
-5.879391
-2.259195
3.783312
other
Ta2Nb1Rh1
4
225
67.01
mp-865172
-7.234285
-1.960133
4.259758
original
Yb1Ta1Ru2
4
225
66.37
mp-631557
-5.591245
-5.976468
2.629025
other
Sn2B1Se1
4
225
84.01
mp-1186937
-8.081661
-6.310693
4.637909
other
Sc2Cd1Hg1
4
225
86.62
mp-864980
-7.35648
-1.531426
4.107896
other
Mn1Al1Ru2
4
225
52.7
mp-865186
-8.119123
-2.38762
3.913017
other
Mg1Ga1Ir2
4
225
56.34
mp-22086
10.025887
10.810795
1.276471
other
Ba3W1O6
10
225
187.61
mp-1018017
-7.596763
-5.072697
4.386214
other
Sc2Mn1Sn1
4
225
81.9
mp-1113433
8.481676
1.046495
1.696708
other
Na3Sc1F6
10
225
149.8
mp-977593
-8.760302
-6.120402
6.68376
other
Tm2Cu1Tc1
4
225
76.79
mp-1183586
-8.393377
-5.302757
2.828039
other
Ca1In1Pd2
4
225
76.41
mp-864921
-8.202764
-2.933079
4.160288
other
Mg1Zr1Ir2
4
225
65.14
mp-1186953
-8.383382
-5.838543
4.464186
other
Sc2Zn1Ag1
4
225
77.41
mp-865149
-7.691563
-1.830515
4.883999
other
Pa1Al1Ru2
4
225
68.79
mp-1187345
-9.124365
-5.401148
6.141087
other
Tb1Er1Ir2
4
225
78.62
mp-973254
-8.116346
-7.600029
4.458781
other
La1Nd1Hg2
4
225
114.52