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-1096237
-2.777071
-8.339635
1.554826
other
Li1In2Cu1
4
71
941.24
mp-1097668
-2.866637
-8.412436
1.370538
other
Li1Ag2Sb1
4
71
966.72
mp-1097416
-2.605768
-8.304079
1.75928
other
Y2Sn1Pd1
4
71
1,185.33
mp-1096191
-3.388649
-8.124033
1.668646
other
Sr2Tl1Zn1
4
71
1,811
mp-1095922
-1.662791
-8.254052
2.281674
other
Ta2Re1Pt1
4
71
797.56
mp-1097677
-2.990157
-8.23909
1.417346
other
Na1Mg2Cd1
4
71
1,407.63
mp-1095959
-2.51802
-8.308626
1.683378
other
Sc2Tl1Rh1
4
71
1,221.02
mp-1097659
-2.619483
-8.277584
1.817112
other
Y2Ga1Pd1
4
71
1,039.8
mp-1095771
-1.639764
-8.291632
2.070867
other
Ti2Co1Os1
4
71
696.97
mp-1096705
-2.807112
-8.47691
1.441906
other
Ca1Zn1Au2
4
71
1,148.24
mp-1096201
-2.448681
-8.252001
1.521683
other
Mg2Cd1Ir1
4
71
1,134.89
mp-1096120
-1.58733
-8.328231
2.250584
other
Zr1Ti1Tc2
4
71
820.4
mp-1097319
-2.702455
-8.515804
1.41876
other
Mg1Cu1Au2
4
71
890.53
mp-1096580
-2.028431
-8.457144
1.860357
other
Be2Os1Au1
4
71
573
mp-1102859
-7.473648
-4.822033
3.834197
other
Pr3Mn4Sn4
11
71
263.43
mp-1096309
-2.709828
-8.492519
1.62484
other
Sc2Hg1Pd1
4
71
1,108.5
mp-1093953
-2.360133
-8.51045
1.444554
other
Ga1Cu1Pd2
4
71
710.59
mp-1097616
-1.566283
-8.331395
2.359892
other
Ta1V1W2
4
71
749.9
mp-1096080
-2.648333
-8.327242
1.78989
other
Y2Ga1Cu1
4
71
1,086.82
mp-1097421
-2.17517
-8.380255
1.724343
other
Sc1Ga2Ir1
4
71
934.33
mp-1095797
-3.430475
-8.470181
1.042087
other
Hg1Bi1Pb2
4
71
1,468.16
mp-1095899
-1.390897
-8.294966
2.406641
other
Nb2Mo1W1
4
71
789.8
mp-1093871
-2.695803
-8.504316
1.590478
other
Zr1Zn1Au2
4
71
1,000.77
mp-1014462
-5.791812
-6.578271
4.453101
other
Li2Y1Al1
4
71
99.58
mp-30771
-8.165496
-6.219737
6.226597
other
Lu12Ni4Sn2
18
71
427.19
mp-1097458
-2.732635
-8.467662
1.605058
other
Y1Cu1Au2
4
71
1,056.29
mp-571420
-3.963512
-3.414298
0.822233
other
Ba1Ni2P4
7
71
123.31
mp-1095936
-2.441946
-8.390853
1.629957
other
Al1Zn1Cu2
4
71
672.39
mp-1093548
-2.857906
-8.303062
1.759058
other
Sc2Tl1Zn1
4
71
1,300.41
mp-1095863
-2.649881
-8.346933
1.511456
other
Mg1In1Cu2
4
71
725.22
mp-1097666
-2.344882
-8.338772
1.755415
other
La2Ir1Pt1
4
71
1,088.72
mp-1097494
-2.527101
-8.447454
1.427692
other
Mg1Pd2Pb1
4
71
1,009.43
mp-1097488
-1.53974
-8.417621
2.288773
other
Hf1Tc2Mo1
4
71
861.05
mp-1068941
-3.650669
-1.518674
-5.212464
other
K2Pd1S2
5
71
121.04
mp-1218105
10.76973
11.882169
2.59716
other
Ta4Cu2O12
18
71
218.82
mp-1176388
10.65414
11.223043
0.083067
other
Na4Fe2O4
10
71
133.81
mp-1097114
-1.757148
-8.516609
2.151679
other
V1Cr2W1
4
71
821.92
mp-1093798
-2.521907
-8.372129
1.697108
other
Mg1Zr1Zn2
4
71
1,086.47
mp-1097425
-2.112954
-8.388995
2.122965
other
Cu1Si1Tc2
4
71
690.27
mp-1097104
-2.274272
-8.366201
1.702722
other
Be2Co1Au1
4
71
649.78
mp-1096488
-2.401068
-8.499406
1.783464
other
Sc2Hg1Os1
4
71
1,254.3
mp-1095860
-2.296523
-8.281015
1.670433
other
Al2Cu1Ni1
4
71
734.04
mp-1105662
-7.859558
-3.086901
4.842094
other
Sm4Ge8Ir4
16
71
311.44
mp-13431
-7.895503
-4.018232
5.988805
other
Dy2Al1Co2
5
71
90.11
mp-1096344
-3.285117
-8.225829
1.247521
other
Na2In1Bi1
4
71
1,508.72
mp-1097670
-2.577996
-8.543708
1.374916
other
Cd1Pd2Au1
4
71
905.12
mp-1104436
-7.487762
0.090889
4.690509
other
Yb1Ga6Fe6
13
71
184.17
mp-1096505
-2.938965
-8.468757
1.692704
other
Sc2Tl1Hg1
4
71
1,311.86
mp-1095834
-2.23143
-8.351866
1.532679
other
Mg2Ir1Pt1
4
71
880.81
mp-1096520
-2.133765
-8.532581
1.311027
other
Li1Sb1Pt2
4
71
852.51
mp-4817
-7.493202
-3.367261
5.612795
other
Ce1Al5Ni2
8
71
132.6
mp-1225036
-8.719727
-4.281546
4.711782
other
Gd1Al6Cu6
13
71
186.02
mp-1096036
-2.722385
-8.461308
1.536982
other
Sc1Ga1Ag2
4
71
963.47
mp-1218713
8.572135
1.603891
2.039038
other
Sr2Pr1F6
9
71
151.3
mp-1096232
-2.972018
-8.327368
1.085097
other
Li1Bi2Pd1
4
71
1,000.33
mp-1093613
-2.850489
-8.538759
1.616305
other
Y2Ag1Hg1
4
71
1,309.51
mp-1097401
-2.656206
-8.334661
1.453253
other
Mg2Cd1Pd1
4
71
1,102.44
mp-1096207
-2.038259
-8.259763
1.944115
other
Al1Fe2Ge1
4
71
774.92
mp-1093714
-1.706688
-8.468478
2.004956
other
V2Re1Rh1
4
71
650.85
mp-1101887
-5.140911
-4.166561
5.464172
other
Y3Cu4Si4
11
71
186.05
mp-29167
-5.404945
-1.640299
0.786381
other
Sr3Ni6P6
15
71
245.21
mp-4242
-7.504721
-4.064268
3.962586
other
U3Cu4Ge4
11
71
198.31
mp-1096737
-2.183896
-8.400661
1.872715
other
Zr1In1Co2
4
71
727.01
mp-1096020
-2.79811
-8.250301
1.586756
other
Li2In1Ge1
4
71
946.63
mp-1093865
-2.063253
-8.424903
1.898569
other
Sc2Ir1Os1
4
71
823.35
mp-1097279
-2.643981
-8.432566
1.492402
other
Li2Pt1Pb1
4
71
685.44
mp-1093708
-1.578699
-8.228394
2.253518
other
Ti2Mo1Pd1
4
71
736.33
mp-1206350
-5.809258
-3.49517
-2.023833
other
K2Te2Pd1
5
71
164.43
mp-1095808
-2.152271
-8.371983
1.823988
other
Y2Ir1Ru1
4
71
929.54
mp-1096173
-2.10133
-8.500204
1.390023
other
Mn1In1Pt2
4
71
876.64
mp-3155
-2.780313
0.567386
2.587015
other
Sc3Fe1C4
8
71
89.94
mp-1097396
-2.908332
-8.222378
1.830921
other
Y2Ga1Pb1
4
71
2,835.73
mp-1222535
-7.467134
0.756712
4.49211
other
Lu1Fe10Mo2
13
71
172.17
mp-1093756
-1.978729
-8.476792
1.565505
other
Cr1Sn1Rh2
4
71
751.1
mp-1097477
-2.357123
-8.443644
1.621062
other
Sc1Ge1Pd2
4
71
841.41
mp-1093943
-2.750576
-8.550472
1.182615
other
In1Ag2Au1
4
71
1,011.16
mp-1095960
-2.524999
-8.453242
1.523382
other
Mg1Cu2Pt1
4
71
768.03
mp-1097582
-2.918112
-8.219594
1.85168
other
Y2Mg1Pb1
4
71
1,510.79
mp-1097583
-2.738078
-8.311576
1.87642
other
Sc2Al1Tl1
4
71
1,187.82
mp-1096243
-3.179135
-8.610367
1.127646
other
Na1Mg1Hg2
4
71
1,299.99
mp-1097245
-2.049519
-8.387122
1.897121
other
Hf2Pd1Rh1
4
71
851.59
mp-1096002
-1.677373
-8.322398
2.134838
other
Ta1Tc2Sb1
4
71
820.25
mp-1093593
-2.635122
-8.441721
1.781801
other
Y2Zn1Cu1
4
71
1,069.26
mp-1093696
-3.345348
-8.098111
2.105211
other
Ca2Mg1Al1
4
71
1,499.47
mp-1096481
-2.225492
-8.502446
1.555878
other
Mg1Zn2Ru1
4
71
1,220.89
mp-1095186
-4.381502
-3.291786
-3.085354
other
K1Np2Se6
9
71
247.35
mp-1096072
-2.020725
-8.397285
1.843694
other
Al1Fe1Ir2
4
71
666.28
mp-864792
-8.10842
-5.349912
3.327426
other
Nd3Cu4Sn4
11
71
239.87
mp-1245664
0.983097
1.597825
2.550475
other
Zr2Cr1N3
6
71
67.36
mp-1096502
-3.620641
-7.740179
1.524088
other
Ba2Hg1Sb1
4
71
1,774.17
mp-1205490
-7.895803
-6.556141
3.452576
other
La3Ag4Sn4
11
71
283.72
mp-13432
-7.964956
-3.647793
6.022806
other
Tb2Al1Co2
5
71
91.23
mp-1245951
0.681641
1.813203
2.542806
other
Ti2Cr1N3
6
71
57.55
mp-1095862
-2.659171
-8.33606
1.771296
other
La2Cd1Ir1
4
71
1,397.79
mp-1093885
-2.963146
-8.243498
1.859477
other
La2Mg1Zn1
4
71
1,481.72
mp-1093753
-3.132665
-8.71593
1.096148
other
Mg1Cd1Hg2
4
71
1,354.72
mp-1096497
-1.610288
-8.418513
2.10119
other
V2Fe1Tc1
4
71
747.6
mp-1096271
-2.669045
-8.294486
1.752742
other
Li1Sc2In1
4
71
1,165.44
mp-1096285
-2.80801
-8.306807
1.531472
other
Li2Cu1Ag1
4
71
743.56
mp-1097177
-1.514719
-8.202308
2.261247
other
Ti2Ga1Mo1
4
71
689.33