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-1096563
-1.781037
-8.310849
2.136856
other
Ti2Zn1W1
4
71
842.92
mp-1096592
-2.080499
-8.338614
2.113273
other
Hf2Zn1Fe1
4
71
875.04
mp-1097334
-4.101025
-7.196897
1.842335
other
K1Rb1Na2
4
71
2,581.1
mp-1096276
-3.502726
-7.787593
1.776142
other
Ba2Mg1Cd1
4
71
1,968.44
mp-1093923
-2.428575
-8.322234
1.800988
other
Sc2Ga1Co1
4
71
784.89
mp-1096397
-2.577972
-8.309973
1.506029
other
Mg2Ga1Pd1
4
71
937.01
mp-1093611
-2.6733
-8.326735
1.509418
other
Li2Cd1Rh1
4
71
732.72
mp-1095838
-3.393215
-8.356416
1.260187
other
Na2Tl1Hg1
4
71
1,538.87
mp-1095711
-2.672991
-8.505575
1.580287
other
Mg1Sc1Au2
4
71
966.73
mp-1093577
-1.976354
-8.471225
1.847062
other
Be1V1Ir2
4
71
613.57
mp-1097656
-2.805014
-8.367585
1.670654
other
Ca1La1Pd2
4
71
1,086.45
mp-1097628
-2.139704
-8.502909
1.829292
other
Be2Ir1Au1
4
71
565.63
mp-1096264
-2.564601
-8.430948
1.731636
other
Zr1Cu2Ag1
4
71
803.45
mp-1217844
-7.672422
0.778793
4.779283
other
Tb1Cr2Fe10
13
71
165.39
mp-1095872
-2.966738
-8.231731
1.870938
other
Y2Be1Pb1
4
71
1,399.33
mp-1093679
-2.341804
-8.507052
1.705267
other
Ti1Ga1Cu2
4
71
658.61
mp-1095809
-4.244527
-6.84943
1.426171
other
Cs2Rb1Sb1
4
71
2,941.8
mp-1093900
-2.414761
-8.558999
1.321977
other
Zn2Ag1Pt1
4
71
813.76
mp-1096461
-2.545142
-8.479977
1.692722
other
Hf1Be1Au2
4
71
999.09
mp-1097378
-2.866547
-8.678698
1.643034
other
Hf1Sc1Hg2
4
71
1,175.44
mp-1095964
-2.582284
-8.551827
1.305134
other
Zn2Ag1Pd1
4
71
818.17
mp-1097157
-1.96185
-8.391418
2.151032
other
Zr2Zn1Tc1
4
71
930.65
mp-1096197
-1.469198
-8.211386
2.494625
other
Ti2Nb1Mo1
4
71
1,353.83
mp-1097483
-1.890115
-8.422716
1.814949
other
Tc1Ge2Rh1
4
71
695.33
mp-1078777
-4.108037
-3.582132
-3.100893
other
U2Tl1Se6
9
71
249.75
mp-1095895
-3.059678
-8.432882
1.411798
other
Li2Zn1Hg1
4
71
977.33
mp-1097386
-1.687057
-8.523008
2.164768
other
Al1Cr1Tc2
4
71
722.02
mp-1097369
-1.750759
-8.147028
2.236724
other
Ta2Zn1Re1
4
71
822.05
mp-1093875
-2.635663
-8.566472
1.574901
other
Zr1Ag1Au2
4
71
987.69
mp-1097141
-2.040829
-8.421011
1.604513
other
Fe1Sn1Rh2
4
71
816.7
mp-1095724
-3.258584
-8.085124
1.658846
other
Ba1Li2Pb1
4
71
1,451.21
mp-1096373
-2.955107
-8.195297
1.612355
other
Mg1Sc1Tl2
4
71
1,279.7
mp-31436
-8.053692
-4.533006
3.581131
other
Tb4Ge8Pd4
16
71
309.03
mp-1263325
9.266609
0.96186
0.419571
other
Al1Ni1F5
7
71
81.61
mp-1093903
-1.782935
-8.331048
2.174077
other
Al1V1Re2
4
71
717.77
mp-1096370
-2.26255
-8.296526
1.614547
other
Li1Ge2Ir1
4
71
730.45
mp-1096640
-2.557067
-8.45072
1.504497
other
Mg1Zn1Cu2
4
71
751.91
mp-1093821
-2.632295
-8.31724
1.72109
other
Sc2Tl1Ni1
4
71
1,462.3
mp-1217866
-7.491704
0.786546
4.541373
original
Tb1Fe10Mo2
13
71
174.17
mp-8267
-2.385778
-0.469186
-5.324637
original
K2P2S6
10
71
264.32
mp-753303
17.024805
9.695266
6.653396
other
Mg22Mn4O26
52
71
517.61
mp-1093765
-2.654008
-8.569168
1.547632
other
Hf1Ag1Au2
4
71
972.53
mp-1097556
-1.988115
-8.340794
1.840989
other
Zr1Be1Rh2
4
71
772.19
mp-1097366
-2.173898
-8.356627
1.669526
other
Mg1Sc1Ir2
4
71
824.85
mp-1095997
-3.577605
-8.510827
1.076235
other
K1Hg2Bi1
4
71
1,563.98
mp-1096621
-2.426599
-8.522428
1.399328
other
Mn1Zn1Pd2
4
71
740.95
mp-760515
9.302568
8.504682
2.018015
other
Ba3Sr4O7
14
71
274.56
mp-1097163
-1.706195
-8.51497
2.242342
other
Al1Re1Tc2
4
71
737.06
mp-1097446
-2.40613
-8.412589
1.930248
other
Y2Tc1Pd1
4
71
945.31
mp-1097213
-1.641459
-8.244937
2.224657
other
Ta1Tc2Ge1
4
71
771.23
mp-1096328
-2.951121
-8.295728
1.812408
other
Y2Zn1Pb1
4
71
1,465.19
mp-1217854
-7.522789
0.824206
4.721603
other
Tb1V2Fe10
13
71
167.42
mp-1102311
-8.079831
-4.505201
4.377192
other
Sc3Cu4Ge4
11
71
176.82
mp-1093631
-3.588671
-8.501504
1.114206
other
Ba1Hg2Bi1
4
71
1,520.3
mp-1093872
-2.168287
-8.396348
1.910365
other
Mn2Si1W1
4
71
768.76
mp-1093915
-1.9634
-8.297838
1.716034
other
Ti1Cu1Rh2
4
71
685.47
mp-1097117
-2.2745
-8.466278
1.503151
other
Mg1Cd1Rh2
4
71
883.78
mp-1096042
-1.989331
-8.341284
1.92789
other
Mn1Al2Tc1
4
71
776.48
mp-1093850
-2.949324
-8.18251
1.625028
other
Na1Sc1In2
4
71
1,375.83
mp-1202201
-6.942916
-0.35371
4.258198
other
Er3Fe18Ge18
39
71
548.41
mp-1209994
-7.693885
-6.591981
6.724434
other
Nd12Ni4Sn2
18
71
514.27
mp-1226804
-2.791966
-3.650674
-3.70946
other
Ce3Ge1S2
6
71
157.2
mp-1103538
-7.900688
-5.467574
4.909282
other
Tb3Ga8Ag3
14
71
273.59
mp-1096641
-1.944637
-8.561208
1.889531
other
Be2Tc1Pt1
4
71
554.73
mp-1093670
-2.920312
-8.531521
1.276271
other
Li1Hg2Rh1
4
71
945.84
mp-1096011
-1.81907
-8.494639
1.804425
other
Mg1Ge1Ru2
4
71
841.25
mp-1096602
-3.238332
-8.152943
1.740033
other
Sr2Cd1Ge1
4
71
1,664.01
mp-1097438
-1.875833
-8.351634
2.133275
other
Hf2Fe1Co1
4
71
1,117.37
mp-1097514
-2.243652
-8.248229
1.581379
other
Mg1Al1Ni2
4
71
788.84
mp-1096358
-2.479395
-8.494564
1.677779
other
Ti1Cd1Cu2
4
71
738.19
mp-1097166
-2.762654
-8.274698
1.527247
other
Li1Zn1Ga2
4
71
806.69
mp-1259896
-1.777605
-8.398692
2.085675
other
Ta1Si1Ru2
4
71
479.3
mp-1093959
-2.181068
-8.533593
1.322051
other
In2Pd1Pt1
4
71
822.04
mp-1096102
-1.686968
-8.293914
2.224454
other
Ti2Cu1Re1
4
71
770.19
mp-1093638
-1.644224
-8.399326
2.323809
other
Zr2Tc1Mo1
4
71
856.53
mp-1093703
-2.395119
-8.411897
1.950658
other
Zr2Zn1Cd1
4
71
1,184.98
mp-1096054
-1.567418
-8.372493
2.394526
other
Nb1Re2W1
4
71
758.77
mp-1096596
-2.598319
-8.513411
1.574042
other
Ti1Cu1Au2
4
71
799.9
mp-1095722
-2.071568
-8.464118
1.87029
other
Be1B1Ir2
4
71
506.42
mp-1095869
-2.836331
-8.64507
1.369911
other
Sc1Ag2Hg1
4
71
1,066.12
mp-1093951
-1.5948
-8.310618
2.260673
other
Nb1Ga1Tc2
4
71
797.92
mp-1096205
-2.749046
-8.320981
1.80668
other
Sc2Tl1Ga1
4
71
1,323.35
mp-1097307
-2.284584
-8.487487
1.845188
other
Zr2Pt1Au1
4
71
1,100
mp-1097408
-1.520758
-8.441257
2.410306
other
Nb1Re1W2
4
71
746.87
mp-571223
-8.060058
-5.246204
3.279166
other
Tb3Cu4Sn4
11
71
226.64
mp-1093643
-2.405523
-8.310865
1.783164
other
Sc2Co1Ni1
4
71
600.14
mp-1096540
-2.169777
-8.354639
1.719104
other
Li1Al1Ir2
4
71
749.47
mp-1097171
-2.175995
-8.420731
1.759402
other
Zn1Si1Ir2
4
71
714.37
mp-1222176
-5.509811
-1.730371
-3.513394
other
Mn4Ni1Se5
10
71
170.02
mp-1097429
-2.562555
-8.451284
1.475139
other
Ca1Sn1Pd2
4
71
1,014.56
mp-975640
-8.130688
-5.358692
3.306729
other
Pr3Cu4Sn4
11
71
243.75
mp-1096577
-2.775214
-8.310377
1.577415
other
Li2Ag1Ge1
4
71
885.12
mp-1097588
-2.157505
-8.406991
1.971454
other
Zr2Ir1Au1
4
71
954.33
mp-1097083
-2.67545
-8.407355
1.700598
other
Sc2Zn1Ag1
4
71
1,066.12
mp-1097105
-1.681438
-8.443114
2.171216
other
V2Cr1W1
4
71
779.63
mp-1096565
-2.438098
-8.385481
1.68094
other
Sc2Cu1Rh1
4
71
810.98
mp-1093854
-2.208432
-8.558476
1.475059
other
Be1Cd1Pt2
4
71
816.65
mp-1221758
-6.241123
-2.665049
-1.966773
other
Mn3Te2Se1
6
71
136.39
mp-1096410
-2.901897
-8.642723
1.431942
other
La1Ag2Hg1
4
71
1,279.8
mp-1093725
-1.620127
-8.743526
1.891333
other
Cr1Sn1Ru2
4
71
765.63