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-862600
-6.602218
-1.646636
3.678047
other
Be2Pt1Rh1
4
225
43.56
mp-865174
-8.535532
-3.056539
3.986209
other
Hf1Cd1Rh2
4
225
65.65
mp-1187944
-6.633776
-6.164566
3.899927
other
Yb2Zn1Ge1
4
225
93
mp-867116
-8.106987
-2.148727
3.884069
other
Be1Ga1Ir2
4
225
49.85
mp-1078734
3.508621
3.387763
-3.554917
other
Co1I3N6
10
225
126.34
mp-530905
10.124038
8.940202
2.334102
other
Ba23U8O48
79
225
1,574.56
mp-1187620
-8.252043
-4.363216
3.646917
other
Yb1Nd1Pt2
4
225
88.05
mp-864837
-8.594806
-6.281564
6.702202
original
Nd2Cu1Ru1
4
225
89.4
mp-1187438
-8.992077
-6.230207
2.654076
other
Th1Mg1Au2
4
225
89.61
mp-1110573
8.62341
0.817843
0.49565
other
Na3Au1F6
10
225
160.54
mp-1185362
-7.660594
-6.753674
6.309193
other
Li1Gd2In1
4
225
105.42
mp-971738
-8.649672
-1.742185
2.876529
other
Zn1Cu1Ni2
4
225
44.75
mp-3657
-6.750121
-1.002071
3.500637
other
Ti1Co2Si1
4
225
46.69
mp-1209295
8.264148
1.551961
0.909071
other
Rb2Bi6F20
28
225
430.57
mp-1184056
-6.553264
-6.879116
3.376803
other
Eu2In1Hg1
4
225
121.44
mp-864919
-8.151098
-2.722408
3.748069
other
Mg1Ti1Rh2
4
225
57.98
mp-21211
-7.699861
-0.609026
3.360549
other
In1Fe1Co2
4
225
53.63
mp-1187768
-7.97429
-6.362695
5.937922
other
Y2Zn1Ga1
4
225
90.33
mp-1183076
-7.235803
-7.956448
4.727602
other
Ac2Ag1Pb1
4
225
134.56
mp-1110957
-1.274319
2.883705
-2.735003
other
K3Mo1I6
10
225
465.12
mp-977397
-8.719203
-5.357755
3.265528
other
Tb1Cd1Pd2
4
225
76.87
mp-1205982
1.611962
2.334141
-3.567635
other
Pd1Br6N2
9
225
275.91
mp-1184582
-7.03366
-2.094278
4.317403
other
Hf1Nb1Ru2
4
225
65.41
mp-1207137
-6.392645
-3.971715
1.211907
other
U1Sb1Pd2
4
225
80.53
mp-1112952
-0.431333
1.240115
-4.722532
other
Cs3Sb1Br6
10
225
483.69
mp-1183593
-8.557244
-5.831922
4.027829
other
Ca1Tm1Pd2
4
225
84.88
mp-631358
-5.523059
-3.870609
3.933428
other
Sr1Ta2Mn1
4
225
74.78
mp-1186125
-7.796164
-6.503192
2.627525
other
Na1Cd2Pd1
4
225
75.91
mp-1187820
-7.905047
-6.663464
2.650224
other
Yb1Ag2Sn1
4
225
85.74
mp-1215272
8.648206
1.419732
0.619436
other
Zr1Cu1F6
8
225
128.81
mp-1111773
-1.139708
2.428746
-2.551568
other
Na3Y1I6
10
225
455.7
mp-863669
-8.341108
-6.218671
5.985588
other
Pm2Cu1Pt1
4
225
89.97
mp-1187153
-7.205653
-7.433536
4.282318
other
Sr1Ac1Cd2
4
225
133.43
mp-10899
-7.890383
-1.561562
2.788326
other
Al1V1Ni2
4
225
48.6
mp-973564
-7.310504
-6.814516
5.389541
other
La2Tl1Zn1
4
225
117.5
mp-867117
-8.237239
-4.48827
4.539604
other
Sc2Cu1Pt1
4
225
69.41
mp-865365
-9.040104
-5.702278
6.33856
other
Tm2Ni1Ir1
4
225
73.91
mp-1111704
-0.370535
1.22487
-4.297536
other
Na3In1Br6
10
225
342.55
mp-862819
-9.014565
-6.608443
2.84068
other
Pa1In1Au2
4
225
85.72
mp-30821
-7.92032
-3.279186
5.07336
other
Li1Al2Rh1
4
225
53.72
mp-20521
-8.197495
-3.95583
3.36921
other
Sc1In1Pt2
4
225
70.52
mp-862914
-8.610989
-6.060248
6.491539
other
Er2Zn1Tc1
4
225
82.81
mp-16548
8.870892
1.927365
1.630758
other
Zr1Ti1F6
8
225
138.59
mp-1180444
6.435794
8.710822
-2.576918
other
Mg1Sn1O6
8
225
136.27
mp-865437
-8.876739
-6.149347
6.680753
other
Lu2Zn1Ru1
4
225
76.97
mp-1186695
-7.993217
-7.216303
5.537504
other
Pr2Tl1Hg1
4
225
117.58
mp-861980
-6.127561
-1.401378
4.30092
other
Pa1Ga1Tc2
4
225
67.99
mp-1183806
-8.080519
-6.589747
5.777793
other
Dy1Lu1In2
4
225
101.77
mp-862614
-8.530454
-6.294516
6.798866
original
Li1Tm2Ru1
4
225
79.05
mp-865905
-8.644198
-4.290526
4.706427
other
Yb1Pm1Rh2
4
225
81.51
mp-972420
-8.482253
-6.791101
4.578561
other
Y1Er1Ag2
4
225
93.15
mp-978515
-7.422832
-5.93795
6.662139
other
Sm1Y1Al2
4
225
96.06
mp-972970
-7.720323
-2.466158
3.987509
other
Sc1Si1Rh2
4
225
58.88
mp-866203
-7.629719
-7.797557
3.374604
other
Ac1Yb1Hg2
4
225
121.32
mp-862553
-8.068136
-4.536031
5.186045
other
Sc2Be1Ru1
4
225
65.59
mp-866137
-7.052643
-2.788701
1.634242
other
Lu1Sb1Rh2
4
225
69.66
mp-863679
-7.135511
-1.936918
4.315991
other
Er1Ta1Ru2
4
225
67.9
mp-865167
-6.116731
-7.112942
3.406141
other
Ca2Cd1Pb1
4
225
116.07
mp-867186
-8.662926
-5.975664
4.385674
other
Ce1Zn2Ag1
4
225
80.78
mp-974221
-7.638772
-7.335608
5.589615
other
Ho1Er1Tl2
4
225
105.06
mp-1208719
8.217985
9.267845
1.705106
other
Sr3Nb1O6
10
225
165.91
mp-1184508
-8.452321
-4.920074
2.697023
other
Gd1Sn1Pd2
4
225
78.64
mp-1185462
-8.573051
-3.198987
4.299967
other
Li1Th1Rh2
4
225
71.77
mp-1186475
-7.645897
-6.856625
6.270714
other
Pm2Mg1Ge1
4
225
101.79
mp-1186793
-6.438371
-4.641134
2.705881
other
Pu2Sn1Hg1
4
225
107.89
mp-980206
-8.236966
-3.803559
5.137997
other
Tm1Sc1Ru2
4
225
69.58
mp-1187072
-5.605528
-7.150798
3.643384
other
Sr2Cd1Ga1
4
225
126.74
mp-866111
-9.073014
-5.777248
6.522923
other
Ho2Ir1Ru1
4
225
76.8
mp-865126
-7.883289
-5.706222
2.406842
other
Na1Tl1Pd2
4
225
71.2
mp-1206611
-7.814345
-4.433134
3.059134
other
U1Pd2Pb1
4
225
83.17
mp-1111080
8.63775
0.854751
1.302673
other
K3Ga1F6
10
225
164.52
mp-861624
-8.035749
-8.067337
3.456665
other
Li1La1Hg2
4
225
99.91
mp-862906
-9.061463
-4.950861
4.309116
other
Pm1Ga1Cu2
4
225
68.66
mp-977576
-8.994383
-6.37531
2.870596
other
Nd1Zn1Au2
4
225
86.25
mp-866297
-8.543482
-6.494946
2.645471
other
Eu1Cd1Au2
4
225
90.46
mp-1185894
-8.215977
-2.192698
3.729476
other
Mg1Mn1Ir2
4
225
57.01
mp-1183299
-6.720982
-7.392582
2.01869
other
Ba1Hg2Bi1
4
225
126.89
mp-865195
-8.558064
-2.819818
3.876094
original
Tm1Ga1Rh2
4
225
63.87
mp-1183896
-6.578566
-6.72505
3.763223
other
Eu2Ag1Ge1
4
225
106.17
mp-1185373
-7.933218
-6.107196
6.463507
other
Li1Lu2Co1
4
225
73.94
mp-1185975
-7.398747
-1.242399
3.776764
other
Mg1Ti1Co2
4
225
50.82
mp-1185018
-8.386153
-6.130711
6.105281
other
La2Ru1Au1
4
225
99.14
mp-1111493
1.191061
2.185732
-5.778584
other
K3Er1Cl6
10
225
348.01
mp-972884
-7.943193
-4.837996
5.075382
other
Sc2Al1Cu1
4
225
74.54
mp-861883
-7.572247
-6.777536
4.958549
other
Ac2Cu1Ir1
4
225
104.1
mp-1018046
-7.226616
-0.138065
3.866077
other
Mn1Ga1Fe2
4
225
46.13
mp-1194066
-7.819382
0.331963
3.715685
other
Hf2Co21B6
29
225
294.53
mp-864886
-9.010259
-5.836035
6.461477
other
Dy2Ni1Ir1
4
225
79.43
mp-1183457
-5.586127
-7.339118
3.860524
other
Ca2Mg1Cd1
4
225
117.18
mp-866124
-5.975951
-1.235035
4.114053
other
Lu1Tc2W1
4
225
66.94
mp-972572
-8.700483
-5.803072
6.212049
other
Sm2Pd1Rh1
4
225
87.09
mp-1206745
-6.687697
-10.006397
4.096419
other
Li1Mg2Pb1
4
225
93.43
mp-23533
1.643453
2.752243
-5.322399
other
K2Os1Cl6
9
225
232.73
mp-21551
-8.512021
-0.46018
2.336795
other
In2Ni21B6
29
225
288.48
mp-976330
-6.800401
-3.363192
4.113841
other
Li1Zr2Ir1
4
225
71.56
mp-636599
-7.523916
-1.52323
4.186707
other
Fe1Sn1Ru2
4
225
58.82
mp-1186729
-7.811896
-6.688308
6.110121
other
Pr2Mg1In1
4
225
118.84
mp-867167
-5.681589
-7.319228
3.592496
other
Li1Ca2Tl1
4
225
113.48
mp-1186692
-8.003162
-6.752198
5.869545
other
Pm1Sm1In2
4
225
112.14
mp-1186456
-7.920641
-6.39966
6.263642
other
Pm2Co1Ni1
4
225
84.03