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-1097216
-2.754376
-8.397957
1.487146
other
Ca1Pd2Pb1
4
71
923.82
mp-11927
-7.766414
-4.364116
6.134267
other
Pr2Al1Co2
5
71
101.49
mp-1102578
-7.911952
-6.48157
3.541835
other
Nd3Ag4Sn4
11
71
268.04
mp-8623
-6.001322
-3.321621
-1.811263
other
K2Te2Pt1
5
71
163.3
mp-1097617
-2.775811
-8.455314
1.654026
other
Li1Sc2Hg1
4
71
1,178.09
mp-1097544
-2.265444
-8.54015
1.525199
other
Be1Ga1Pd2
4
71
673.93
mp-1096007
-2.027269
-8.38376
1.635558
other
Hf1Mg1Pt2
4
71
876.88
mp-1095736
-2.05311
-8.320151
1.991983
other
Be1Nb1Co2
4
71
612.87
mp-676499
7.335608
11.2986
-1.13275
other
Cu6Pb1O8
15
71
164.16
mp-1096682
-1.889729
-8.392266
2.015787
other
V1Zn1Fe2
4
71
623.27
mp-1095717
-2.690312
-8.502661
1.36558
other
Al1Zn1Au2
4
71
817.18
mp-1220971
-7.538389
0.104562
4.860857
other
Nd1Ga6Fe6
13
71
188.69
mp-1220565
-7.983757
-0.040975
4.089119
other
Nd1Co10Mo2
13
71
170.73
mp-1178038
-3.791501
-1.659777
-5.387324
other
Li2Bi1S2
5
71
109.37
mp-1093930
-3.630777
-8.095854
1.417078
other
K1Tl2Pb1
4
71
1,656.47
mp-1097464
-2.400197
-8.395818
1.687334
other
Hf1Mg1Zn2
4
71
995.69
mp-1093571
-2.833895
-8.526046
1.443666
other
Ca1Ag1Au2
4
71
1,142.23
mp-1403507
8.987085
2.297609
1.529449
other
Y1W1F5
7
71
130.69
mp-1216218
-7.958611
-0.019833
4.051162
other
Y1Co10Mo2
13
71
166.89
mp-1097191
-1.546214
-8.428791
2.008981
other
Ti1V1Ru2
4
71
662.68
mp-1096420
-1.80248
-8.284739
2.024413
other
Hf2Ni1Os1
4
71
806.51
mp-1096583
-1.728261
-8.167896
2.227019
other
Ta2Re1Rh1
4
71
751.49
mp-1096066
-2.369746
-8.333765
1.60711
other
Al1Cu1Ni2
4
71
546.34
mp-1093889
-2.859093
-8.318539
1.528158
other
Li2Zn1Ag1
4
71
905.33
mp-1215780
-7.778699
-1.505335
4.051644
other
Zr1Ga6Co6
13
71
174.18
mp-1096347
-1.693283
-8.148114
2.257934
other
Ta2Mn1Re1
4
71
814.11
mp-1097237
-2.099279
-8.373838
1.978313
other
Mn2Co1Re1
4
71
783.42
mp-1097551
-3.082167
-8.027624
1.92945
other
La2Be1Ge1
4
71
1,098.39
mp-1228655
-5.401242
0.523961
3.113845
other
B4Mo1Ru2
7
71
66
mp-1097469
-2.640759
-8.339524
1.67547
other
Sr1La1Pt2
4
71
1,224.31
mp-1095928
-2.906804
-8.502434
1.405953
other
In2Ga1Hg1
4
71
1,179.49
mp-1097341
-2.937321
-8.493848
1.51892
other
La1Cd2Ag1
4
71
1,358.76
mp-1097317
-2.888919
-8.386371
1.270423
other
Mg2Zn1Hg1
4
71
1,188.21
mp-1093911
-2.446387
-8.384583
1.624308
other
Y1Ge1Pd2
4
71
940.24
mp-1096304
-3.802383
-7.432022
1.297172
other
Cs1Na2Sb1
4
71
2,123.32
mp-1102425
-7.992832
-4.416037
4.394421
other
Lu3Cu4Ge4
11
71
183.56
mp-1262938
-1.674781
-8.340971
2.149074
other
Al1V2W1
4
71
901.45
mp-1093723
-2.966949
-8.551408
1.621307
other
La2Ag1Hg1
4
71
1,377.8
mp-1095880
-3.964684
-7.710027
1.402828
other
Cs1Tl2Bi1
4
71
2,034.49
mp-1095885
-2.478298
-8.273972
1.924366
other
Li1Y2Tc1
4
71
1,118.34
mp-1093711
-1.986358
-8.417529
2.137403
other
Be1Si1Tc2
4
71
655.21
mp-1188961
-8.089833
-6.375209
6.543437
other
Tm12Ga2Ni4
18
71
414.55
mp-1097333
-2.440993
-8.356448
1.766322
other
Sc2Ga1Pd1
4
71
889.26
mp-1096405
-3.652555
-8.003057
2.258525
other
Ba1Sr2Ca1
4
71
2,681.91
mp-1095766
-3.078762
-8.266827
1.471203
other
Sr1Mg1Cd2
4
71
1,803.31
mp-1096417
-2.481364
-8.407135
1.477782
other
Li2Pt1Au1
4
71
765.27
mp-1104225
-8.118171
-4.811019
4.741566
other
Lu3Ga9Pd2
14
71
250.66
mp-3852
-7.946877
-4.430211
4.498776
other
Tb3Cu4Ge4
11
71
192.54
mp-1102165
-7.507649
-4.966994
3.855084
other
Sm3Mn4Sn4
11
71
252.98
mp-1097411
-1.798629
-8.569382
1.717372
other
Ga1Sn1Ru2
4
71
863.36
mp-756629
10.10452
0.33925
0.829939
other
Li5Mn1F8
14
71
148.31
mp-1219277
-7.670998
0.793604
4.818174
other
Sm1Cr2Fe10
13
71
167.27
mp-10247
1.25886
1.490203
2.383841
other
U2Cr1N3
6
71
77.61
mp-1097501
-3.136748
-8.479814
1.293391
other
Na1Cd2Ag1
4
71
1,335.58
mp-1095730
-3.269411
-8.286696
1.354501
other
Tl2Cd1In1
4
71
1,336.58
mp-1093722
-2.035609
-8.412899
1.997536
other
Be1Cr1Fe2
4
71
605.83
mp-1222050
-8.155156
-6.392679
2.428748
other
Na30Sn12Au39
81
71
1,803.3
mp-1095732
-2.033209
-8.366938
2.042929
other
Zr2Co1Rh1
4
71
919.36
mp-1096673
-2.144401
-8.32964
1.536403
other
Mn1Cd1Rh2
4
71
841.02
mp-1096113
-1.918823
-8.33736
1.950642
other
Mg1Nb1Ir2
4
71
824.59
mp-1093662
-2.898155
-8.378535
1.434192
other
Ca1Mg1Ag2
4
71
1,276.89
mp-1095902
-2.684378
-8.359667
1.822251
other
Y2Zn1Ga1
4
71
1,184.54
mp-1102613
-8.129462
-4.426661
3.594587
other
La3Zn4Pt4
11
71
228.99
mp-1097090
-3.126695
-8.39732
1.534701
other
Ca2Pb1Au1
4
71
1,457.63
mp-1097400
-3.769037
-7.125813
1.670608
other
K1Na2P1
4
71
1,893.54
mp-1096665
-1.907444
-8.358049
2.100607
other
Be1Fe2W1
4
71
568.98
mp-1097480
-2.314572
-8.254476
1.66541
other
Mg1Sc2Ir1
4
71
1,076.26
mp-1093942
-1.804639
-8.222475
2.170574
other
Ta2Cu1Os1
4
71
787.1
mp-1097681
-1.52751
-8.600197
2.174135
other
V2Ru1W1
4
71
701.61
mp-1220581
-7.450132
0.751892
4.560784
other
Nd1Fe10Mo2
13
71
177.53
mp-1217231
-5.768058
-2.089689
4.728034
other
Ti6Cr6Si10
22
71
304.69
mp-1096586
-2.024052
-8.496043
1.843533
other
Zr1Zn1Ir2
4
71
848.81
mp-1097648
-1.826481
-8.256357
2.049366
other
Hf1Ti1Co2
4
71
709.87
mp-1093937
-2.108488
-8.492278
1.424363
other
Li1Ge1Pt2
4
71
746.8
mp-1095821
-1.845501
-8.266328
2.042405
other
Ti2Cr1Co1
4
71
770.57
mp-697671
3.3594
-0.679149
-2.539637
other
Ba6Mg7H26
39
71
517.26
mp-1096055
-2.62086
-8.394153
1.776941
other
Y2Zn1Pd1
4
71
1,080.25
mp-1215770
-7.0734
0.125626
5.076518
other
Yb1Al6Fe6
13
71
182.36
mp-1096412
-2.718817
-8.397833
1.568136
other
Sc1Zn2Cd1
4
71
992.17
mp-643092
-7.480796
0.052358
4.906215
other
U1Ga6Fe6
13
71
186.16
mp-1096024
-2.871309
-8.252868
1.625021
other
La1Mg1In2
4
71
1,437.43
mp-1096189
-2.648202
-8.313885
1.561321
other
Li1In1Cu2
4
71
791.02
mp-1096744
-1.826695
-8.339845
2.130331
other
Hf2Tc1Ir1
4
71
830.58
mp-1104438
-7.403969
-0.00049
4.576523
other
Hf1Ga6Fe6
13
71
180.16
mp-1096160
-3.325069
-8.322021
1.605164
other
Sr2In1Hg1
4
71
1,568.03
mp-1096487
-1.623854
-8.502461
2.306866
other
Mn1Tc2W1
4
71
791.29
mp-1093665
-2.082135
-8.425092
1.985663
other
Zr2Co1Pt1
4
71
870.2
mp-1097300
-1.923141
-8.469924
1.77313
other
Cr1Ga1Ir2
4
71
662.58
mp-1095775
-1.744247
-8.255062
2.166918
other
Ti2Ni1W1
4
71
703.53
mp-1095723
-2.128705
-8.432598
1.699831
other
Be1Ge1Rh2
4
71
616.6
mp-1096629
-3.148366
-8.480525
1.3932
other
Li2Tl1Hg1
4
71
1,113.6
mp-1217244
-6.287541
-1.889742
4.099532
other
Ti6V6Ge10
22
71
339.36
mp-1096647
-2.001901
-8.578379
1.927313
other
Be2Ir1Os1
4
71
532.33
mp-1095817
-3.156244
-8.423573
1.298166
other
Na2Hg1Au1
4
71
1,184.82
mp-1104574
-8.255789
-3.972605
4.893999
other
Er3Ga8Rh3
14
71
252.84
mp-1097542
-1.882833
-8.472357
1.951804
other
Al1Tc2Sb1
4
71
856.74
mp-1097372
-1.76041
-8.580374
1.979733
other
Be1Fe1Ru2
4
71
584.29
mp-1192120
8.056334
2.179388
-1.255613
other
Si3N6F12
21
71
530.08
mp-1093585
-2.560395
-8.378352
1.617885
other
Li1Cu2Ni1
4
71
604.13
mp-1097187
-2.932598
-8.178942
1.575772
other
Li2Mg1Zn1
4
71
1,048.42