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-5869
8.036052
9.854759
1.398876
other
Ca2Cu1O3
6
71
74.82
mp-1219848
11.171637
11.279404
-2.565123
other
Rb3W12O36
51
71
758.94
mp-1096229
-3.091246
-8.246399
1.908577
other
La2Zn1In1
4
71
1,158.66
mp-1093791
-2.023568
-8.34093
1.936326
other
Mn2Al1Tc1
4
71
745.69
mp-1093759
-1.554069
-8.120977
2.330491
other
Ta2Nb1Tc1
4
71
798.31
mp-1097323
-2.173054
-8.418903
1.832047
other
Zr1Zn1Co2
4
71
798.31
mp-3354
-8.185538
-4.671011
3.290942
other
Ho3Ge4Pd4
11
71
202.46
mp-1096532
-2.796292
-8.285378
1.796081
other
Li1Y2In1
4
71
1,505.01
mp-1097571
-1.759314
-8.354969
2.270627
other
Hf2V1Re1
4
71
853.83
mp-1096694
-3.47301
-8.29962
1.595929
other
Sr2Tl1Hg1
4
71
1,787.97
mp-1095944
-1.697517
-8.150174
2.328477
other
Ta2Cr1W1
4
71
834.65
mp-22490
-7.865128
-2.841333
4.115526
other
Sc3Ni4Ge4
11
71
164.42
mp-1096154
-1.642613
-8.22325
2.258175
other
Ta2Nb1Pt1
4
71
808.01
mp-1096015
-2.468503
-8.45725
1.93848
other
Zr1Sc1Cu2
4
71
697.65
mp-29587
2.354391
2.055646
1.856949
other
Pr3B2N4
9
71
124.04
mp-1096108
-1.868074
-8.427376
2.210565
other
Zr2Mo1Pt1
4
71
910.62
mp-1104245
-8.202081
-4.185845
4.573448
other
Yb3Ga8Rh3
14
71
261.71
mp-1068157
-7.28758
-5.549408
3.303678
other
Sr2Cd1Pt2
5
71
125.07
mp-1097358
-2.511472
-8.482878
1.369631
other
Mg1Zn2Pd1
4
71
936.09
mp-1096494
-2.839312
-8.247857
1.74437
other
Li1Sc2Tl1
4
71
1,368.49
mp-1093794
-2.143775
-8.508136
1.482282
other
Zn1Sn1Rh2
4
71
826.2
mp-1093764
-3.411648
-7.726701
1.652611
other
Ba2Zn1Sn1
4
71
1,769.94
mp-1097623
-2.827927
-8.203526
1.585477
other
Ca2Pd1Rh1
4
71
1,066.2
mp-1078517
-4.525117
-1.22089
-5.041079
other
Rb2Fe2S4
8
71
210.09
mp-1096257
-1.707253
-8.302024
2.27374
other
Ti1Cr1Re2
4
71
763.91
mp-1097559
-1.823206
-8.184332
2.146193
other
Ta1Mn2Nb1
4
71
753.17
mp-1097385
-2.685332
-8.293036
1.536843
other
Li2Cu1Pd1
4
71
731.71
mp-1096518
-1.58084
-8.383234
2.041802
other
Ti2Ir1Ru1
4
71
691.78
mp-1095812
-3.254773
-8.640002
1.361283
other
La1Zn1Hg2
4
71
1,360.28
mp-505292
-7.9459
-4.491936
4.641083
other
Nd3Cu4Ge4
11
71
206.16
mp-1096530
-1.543378
-8.52817
2.271568
other
V1Tc2W1
4
71
754.63
mp-1097513
-2.429586
-8.389264
1.591658
other
Li1Ga2Co1
4
71
821.6
mp-1093580
-2.908551
-8.236203
1.732861
other
Li2Y1In1
4
71
1,190.62
mp-1096735
-3.437989
-8.397139
1.297823
other
Ba1Mg1Hg2
4
71
1,712.15
mp-1225229
-7.279106
0.656719
4.568278
other
Gd1Fe10Si2
13
71
164.97
mp-1096084
-1.737865
-8.587787
1.95065
other
V1Ga1Os2
4
71
746.13
mp-1097149
-2.356981
-8.387034
1.806134
other
Y1Hf1Pd2
4
71
998.27
mp-1221088
-3.882884
-4.097238
-3.295555
other
Na1Ce2Se3
6
71
165.23
mp-1093818
-2.588722
-8.381872
1.570912
other
Li1Cd2Ir1
4
71
1,013.77
mp-1096369
-1.545801
-8.320716
2.257422
other
Ta1V2Re1
4
71
743.75
mp-1096150
-2.305357
-8.440657
1.750914
other
Sc1Be2Pt1
4
71
751.63
mp-1096008
-1.451874
-8.343958
2.379311
other
Nb1Mo1W2
4
71
1,035.38
mp-1096464
-3.498213
-8.629336
1.042677
other
Tl1Hg2Pb1
4
71
1,329.01
mp-1392689
8.53777
1.184201
0.776694
other
Y1Co1F5
7
71
119.62
mp-1096005
-1.986219
-8.375271
1.879077
other
Ti2Mn1Zn1
4
71
797.33
mp-1095991
-1.964031
-8.357599
2.147518
other
Zr2Cd1Tc1
4
71
1,028.77
mp-1093961
-2.68654
-8.341953
1.75349
other
Sc2In1Cu1
4
71
1,166.92
mp-1095955
-1.746684
-8.202969
2.097547
other
Ta2Os1Rh1
4
71
754.22
mp-1097310
-2.115824
-8.530467
1.849862
other
Mn1Be1Ir2
4
71
778.42
mp-1097335
-1.46963
-8.393364
2.129488
other
Nb1V2Ru1
4
71
690.39
mp-1095792
-2.248889
-8.465575
1.659371
other
Be2Pt1Au1
4
71
562.38
mp-1217863
-8.957634
-5.227547
3.693486
other
Tb1In6Cu6
13
71
233.88
mp-1095716
-2.180592
-8.487615
1.907525
other
Zr1Ti1Zn2
4
71
973.65
mp-1093848
-3.034436
-8.403125
1.693558
other
Sr1La1Au2
4
71
1,201.86
mp-1105716
-7.814765
-4.096562
3.777169
other
Y4Ge8Pt4
16
71
315.29
mp-1096594
-2.398203
-8.402238
1.5861
other
Cu1Ni2Ge1
4
71
397.76
mp-1093734
-3.326417
-8.244969
1.603328
other
Sr2Li1Pb1
4
71
1,818.19
mp-1093758
-2.334345
-8.434095
1.467167
other
Mg1Zn2Ir1
4
71
923.34
mp-1097510
-2.053752
-8.333485
1.914263
other
Mn2Nb1Ga1
4
71
753.2
mp-1096660
-2.42058
-8.505044
1.589972
other
Sc1Pd2Au1
4
71
871.46
mp-1069330
-7.866829
-5.098819
6.075721
other
Nd2Al1Ni2
5
71
99.76
mp-1097599
-2.027214
-8.344911
2.110492
other
Hf2Cu1Tc1
4
71
876.53
mp-1096409
-3.293404
-8.70482
1.070879
other
Li1Zn1Hg2
4
71
964.7
mp-1097162
-3.813642
-6.306079
1.06066
other
Cs2Au1Br1
4
71
1,671.78
mp-1097647
-2.435748
-8.379925
1.740391
other
Y2Pd1Pt1
4
71
1,031.22
mp-1097142
-3.408638
-8.685768
1.074359
other
Tl1Cd1Hg2
4
71
1,370.7
mp-567576
-5.466207
-2.051071
5.277949
other
Hf6Fe6Si12
24
71
382.28
mp-1093884
-1.816895
-8.454764
1.923284
other
Sc1Al1Ru2
4
71
836.48
mp-1096419
-2.33089
-8.412175
1.590983
other
Co2Cu1Ge1
4
71
560.76
mp-1096643
-2.909178
-8.256712
1.473937
other
Li1Tl2Pd1
4
71
1,084.41
mp-1093888
-1.549072
-8.258051
2.304197
other
Nb2Cr1Tc1
4
71
819.21
mp-1095982
-3.190063
-8.144068
1.730697
other
Ca2Al1Cd1
4
71
1,486.17
mp-1093751
-2.128163
-8.256281
1.747512
other
Ca1Hf1Rh2
4
71
942.78
mp-1096569
-2.090843
-8.465728
1.75361
other
Be2Co1Pd1
4
71
541.17
mp-1097139
-2.906385
-8.438955
1.31829
other
Zn1Ga1Ag2
4
71
837.73
mp-1096242
-2.633756
-8.377071
1.433196
other
Na1Cd1Pd2
4
71
1,007.51
mp-1025246
-3.365562
1.462874
2.919667
other
Er2B4C1
7
71
78.9
mp-1096435
-3.388765
-8.542213
1.32467
other
Sn1Hg1Pb2
4
71
945.78
mp-1097084
-1.951261
-8.288514
1.820927
other
Fe2Ir1Rh1
4
71
626.54
mp-1093726
-2.679518
-8.526981
1.29121
other
Bi1Pd2Au1
4
71
941.86
mp-1097445
-1.954467
-8.455363
1.921244
other
Be2Co1Os1
4
71
570.53
mp-1103677
-8.126689
-4.757812
4.857019
other
Tb3Ga9Pt2
14
71
258.54
mp-1217684
-2.538999
-2.660138
-5.643643
other
Tb2Te1S2
5
71
152.71
mp-1097683
-2.431022
-8.306746
1.840751
other
Y2Ag1Os1
4
71
1,137.85
mp-1095710
-2.083329
-8.438138
1.845519
other
Zr1Sc1Rh2
4
71
798.74
mp-1095793
-2.195139
-8.479959
1.512858
other
Zn1Cd1Rh2
4
71
862.64
mp-1095954
-1.773724
-8.385369
1.990291
other
Ti1Ge1Os2
4
71
716.44
mp-11844
-8.159834
-6.329317
6.731684
other
Ho12Ga2Co4
18
71
420.51
mp-1093883
-2.012651
-8.356537
1.922472
other
Mn2Ga1Mo1
4
71
804.07
mp-1097537
-1.738068
-8.317583
1.962017
other
Ti2Mn1Pt1
4
71
737.04
mp-1097361
-3.258492
-8.688141
1.057254
other
Na1Hg2Au1
4
71
1,183.4
mp-1097277
-2.605407
-8.41372
1.786584
other
Y1Sc1Cu2
4
71
759.23
mp-1093693
-2.674657
-8.453097
1.585006
other
Hf1Tl1Au2
4
71
1,124.06
mp-1093677
-3.100022
-8.663886
1.267153
other
Li1Ag2Hg1
4
71
1,021.92
mp-1095920
-2.53009
-8.240331
1.686515
other
Y2Ni1Pd1
4
71
1,228.49
mp-1093981
-2.153971
-8.361457
2.062281
other
Zr2Co1Cu1
4
71
1,016.43
mp-1095992
-1.944564
-8.423829
2.197338
other
Zr2Sc1Tc1
4
71
1,132.35
mp-1093623
-2.937279
-8.621428
1.191481
other
Li1Hg2Pt1
4
71
843.15
mp-1097439
-1.685015
-8.29705
2.279714
other
Hf1Ti1Re2
4
71
858.53
mp-1097502
-1.589988
-8.317098
2.181534
other
Ti1Al1Tc2
4
71
769.7