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-1093757
-2.408663
-8.525964
1.769156
other
Zr1Ti1Au2
4
71
997.7
mp-1095786
-2.108834
-8.309254
1.911065
other
Mn2Ge1W1
4
71
775.17
mp-1097645
-2.820719
-8.234797
1.817442
other
Hf1Sc1Tl2
4
71
1,240.56
mp-29133
2.099461
2.726522
-4.94039
other
Os1Cl2O1
4
71
76.8
mp-1225827
10.090407
10.95547
3.073087
other
La2Ti3O9
14
71
194.8
mp-9694
-8.240138
-4.725386
3.277261
other
Tm3Ge4Pd4
11
71
199.41
mp-1097375
-2.014676
-8.433787
1.88748
other
Mn1Be2Os1
4
71
576.1
mp-1105331
-8.141898
-6.568733
6.82087
other
Dy12Co5Sn1
18
71
446.98
mp-1207034
-8.22894
-4.842861
5.718642
other
Tb2Ga1Ni2
5
71
91.33
mp-1176346
11.574293
11.257787
-2.267552
other
Na5W14O42
61
71
787.52
mp-1095781
-3.502021
-7.701753
1.771613
other
Ba2Mg1In1
4
71
1,963.37
mp-1095770
-3.089761
-8.379972
1.401797
other
Sr1Bi1Au2
4
71
1,324.47
mp-1093609
-3.127762
-8.329876
1.510795
other
Na1In2Pb1
4
71
1,199.23
mp-7376
-5.774571
-6.824263
3.365232
other
Sr3Al2Sn2
7
71
223.41
mp-12732
-5.227235
-4.118406
5.456817
other
Dy3Cu4Si4
11
71
182.67
mp-1096165
-2.736
-8.300227
1.796345
other
Y2Mg1Cd1
4
71
1,408.3
mp-1096477
-3.01337
-8.285117
1.773574
other
Y2Tl1Pb1
4
71
1,500.68
mp-1095751
-2.556096
-8.32871
1.86162
other
Li1Sc2Al1
4
71
1,140.29
mp-1097096
-1.840391
-8.319636
1.899147
other
Ti2Cu1Rh1
4
71
602.97
mp-1093712
-2.728298
-8.505893
1.764293
other
Sc2Al1Hg1
4
71
1,121.15
mp-1095837
-1.79054
-8.43605
2.22324
other
Cr2Re1Mo1
4
71
763.1
mp-1096524
-2.934086
-8.204809
1.892794
other
La2Cu1Ge1
4
71
990.31
mp-1071506
-7.983229
-5.296575
5.867136
other
Gd2Al1Ni2
5
71
96.8
mp-1097680
-3.261313
-8.067123
1.761994
other
Ca2Mg1Zn1
4
71
1,694.87
mp-1095737
-2.951365
-8.286502
1.66368
other
Li1La1Zn2
4
71
1,138.75
mp-1095873
-2.888743
-8.689156
1.506565
other
Li1Zr1Hg2
4
71
1,165.32
mp-1093909
-3.357397
-8.065559
1.90668
other
Sr1Ca1Mg2
4
71
1,773.55
mp-1096239
-3.355562
-8.639869
1.188676
other
Ca1Tl1Hg2
4
71
1,485.03
mp-1219472
-7.004022
0.071106
4.942784
other
Sc1Al6Fe6
13
71
177.83
mp-1096092
-2.802484
-8.491771
1.699535
other
Li1Y2Hg1
4
71
1,383.01
mp-1097594
-3.111971
-8.194404
1.569836
other
Ca2Cd1Ga1
4
71
1,464.37
mp-510076
-0.746512
-3.026449
1.52329
other
Rb7Au5O2
14
71
440.01
mp-1097221
-2.795903
-8.397649
1.732599
other
Y2Mg1Hg1
4
71
1,518.02
mp-1096128
-2.388608
-8.303278
1.771335
other
La2Ir1Rh1
4
71
1,018.48
mp-1097675
-1.854207
-8.467163
1.974807
other
Be1P1Ru2
4
71
538.59
mp-1093567
-2.694596
-8.359249
1.7766
other
Y2Cd1Pd1
4
71
1,305.26
mp-1207017
-8.171341
-3.202076
5.778131
other
Er2Ga1Co2
5
71
88.2
mp-1225910
-7.480884
0.815137
4.720282
other
Gd1V2Fe10
13
71
168.91
mp-1096056
-2.463394
-8.503527
1.310343
other
In1Ag1Pd2
4
71
906.04
mp-1096351
-1.655724
-8.319167
2.292779
other
Nb1V1Re2
4
71
678.91
mp-1097070
-2.01338
-8.426108
1.747153
other
Zr1Ga1Rh2
4
71
813.58
mp-1096317
-2.767105
-8.350763
1.416755
other
Mg2Ga1Hg1
4
71
972.25
mp-1096637
-1.983564
-8.442666
2.104974
other
Si1Tc2Ni1
4
71
588.96
mp-1189112
-8.156166
-6.249676
6.194753
other
Er12Ga2Ni4
18
71
425.38
mp-1096458
-3.295264
-8.324253
1.339757
other
Na1Tl1Cd2
4
71
1,251.11
mp-1097311
-2.017066
-8.474551
2.064406
other
Si2Tc1Ru1
4
71
831.05
mp-1096390
-2.142499
-8.434243
1.671892
other
Mg1Ti1Pd2
4
71
1,016
mp-1096743
-1.72954
-8.076391
2.265612
other
Ta2V1Fe1
4
71
626.47
mp-1096669
-3.646638
-8.37803
1.239308
other
Tl2Hg1Pb1
4
71
1,434.43
mp-1097644
-2.051191
-8.341188
1.798146
other
Mn2Mo1Rh1
4
71
997.48
mp-1093971
-3.315817
-8.320865
1.634668
other
Sr2Li1Hg1
4
71
1,772.76
mp-1097512
-3.041497
-8.372583
1.424873
other
Li1Zn1Cd2
4
71
1,035.64
mp-1095831
-2.711067
-8.575234
1.352593
other
In1Cu1Au2
4
71
864.42
mp-1206838
-8.146226
-3.497772
5.941331
other
Tm2Ga1Co2
5
71
87.25
mp-1097664
-1.68764
-8.258537
2.174223
other
Mn1Nb2Os1
4
71
752.15
mp-1095921
-2.851895
-8.392689
1.434696
other
Li1Zn2Ag1
4
71
875.58
mp-1093648
-2.260634
-8.456561
1.526816
other
Mn1Zn1Ni2
4
71
526.33
mp-1097685
-3.007909
-8.220767
1.65348
other
Na1Y1In2
4
71
1,438.07
mp-1093738
-1.677504
-8.292156
2.006615
other
Ta1Ge1Ru2
4
71
697.68
mp-1096356
-2.654197
-8.328431
1.817855
other
Sc2Tl1Co1
4
71
873.98
mp-1101214
13.976622
11.809394
-2.167866
other
V2O2F4
8
71
106.05
mp-1097592
-1.396527
-8.326475
2.393937
other
Nb1Re1Mo2
4
71
770.95
mp-1096588
-2.834733
-8.365334
1.597663
other
Na1Y1Au2
4
71
1,160.14
mp-1093767
-2.537209
-8.344292
1.946199
other
Sc2Tl1Mo1
4
71
1,188.74
mp-1093976
-1.658624
-8.430919
2.194272
other
Ti1V1Fe2
4
71
1,453.73
mp-1093868
-2.864275
-8.524217
1.592395
other
Y1Pb1Au2
4
71
1,147.18
mp-1096013
-1.697324
-8.167176
2.197066
other
Ta2Mn1Fe1
4
71
711.66
mp-1226926
-7.901287
-0.058579
4.061635
other
Ce1Co10Mo2
13
71
167.46
mp-1097168
-2.130169
-8.475281
1.56352
other
Al2Pd1Pt1
4
71
725.13
mp-1096371
-2.850537
-8.485392
1.267321
other
Mg2Ag1Hg1
4
71
1,106.74
mp-1097282
-3.287868
-8.744277
1.126767
other
Li1Cd1Hg2
4
71
1,108.71
mp-29025
0.085454
1.747566
-3.902895
other
Li5Br2N1
8
71
136.09
mp-1096216
-2.225011
-8.340917
1.702627
other
Mg1Mn1Ir2
4
71
826.05
mp-1219361
-7.392462
0.509997
4.467619
other
Sm1Fe10Re2
13
71
173.53
mp-1216674
-6.504509
-1.515802
5.139761
other
Tm1Al6Cr6
13
71
193.14
mp-1096734
-1.667777
-8.396891
2.149919
other
V2Cr1Mo1
4
71
665.44
mp-1097504
-1.83892
-8.565065
1.745533
other
Mg1Sn1Ru2
4
71
868.38
mp-1093836
-2.332667
-8.328517
1.876241
other
Sc2In1Tc1
4
71
1,345.54
mp-1097422
-2.18495
-8.456797
1.447429
other
Zn1In1Rh2
4
71
853.93
mp-1097516
-3.581573
-8.357578
1.498537
other
Ba1Sr1Hg2
4
71
1,696.65
mp-1093667
-3.130419
-8.277024
1.750014
other
La1Y1Tl2
4
71
1,462.84
mp-1097227
-3.380728
-8.29255
1.447168
other
Sr2Hg1Sb1
4
71
1,549.38
mp-1093768
-1.825556
-8.350156
2.009924
other
Mn1V2Fe1
4
71
646.85
mp-1096155
-3.018818
-8.478503
1.423999
other
Li1Ag1Pb2
4
71
1,176.24
mp-20703
-7.64663
-3.919089
3.520802
other
Dy3Co6Sn5
14
71
256.16
mp-1096720
-2.29645
-8.47466
1.440598
other
Mn1Cu1Pt2
4
71
683.41
mp-1224088
-6.934714
0.075811
5.061139
other
Ho1Al6Fe6
13
71
182.81
mp-1093608
-2.923237
-8.238688
1.93959
other
La2Ga1Cu1
4
71
1,602.97
mp-1213286
-8.131744
-6.554186
6.704135
other
Dy12Co4Sn2
18
71
451.77
mp-1222656
9.44155
12.843869
0.797045
other
Li2Ti1O3
6
71
53.31
mp-1097671
-2.029482
-8.259662
1.851586
other
Ta1Be1Rh2
4
71
753.7
mp-1096452
-1.434524
-8.275612
2.34866
other
Nb1V1Mo2
4
71
768.43
mp-1096012
-3.13077
-8.462227
1.448964
other
Ca2Cd1Hg1
4
71
1,617.81
mp-1096070
-2.481496
-8.347031
1.84634
other
La2Cu1Os1
4
71
1,060.34
mp-1097505
-3.19144
-8.72501
1.10979
other
In1Sn1Hg2
4
71
1,231.69
mp-1093815
-2.835028
-8.249037
1.682702
other
Li2Sc1In1
4
71
1,142.93
mp-1096318
-2.711924
-8.317696
1.642827
other
Li1Sc1Zn2
4
71
1,006.54
mp-1225289
-2.613947
-2.637969
-5.641598
other
Dy2Te1S2
5
71
150.42
mp-1093642
-2.208073
-8.364292
1.618701
other
Li1Sc1Rh2
4
71
786.85
mp-1222090
-6.210759
-10.474889
4.958165
other
Mg6Si1Ge2
9
71
192.29