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-1245955
0.231576
2.231456
2.353337
other
Cr1Mo2N3
6
71
59.04
mp-1393470
8.46476
1.186044
0.575089
other
Y1Cu1F5
7
71
118.65
mp-1097359
-3.502894
-8.417029
1.436017
other
Ba1Ca1Hg2
4
71
1,768.15
mp-1209292
-7.944871
-5.014556
4.971123
other
Sc12In2Co4
18
71
367.33
mp-1096407
-2.091875
-8.551647
1.522916
other
Al1Ni1Pt2
4
71
690.39
mp-1093849
-1.531497
-8.328472
2.390813
other
Nb2Re1W1
4
71
781.43
mp-1096493
-2.027999
-8.657099
1.509625
other
Ga1Ni1Pt2
4
71
618.32
mp-1096632
-2.205518
-8.415298
1.539377
other
Y1Zn1Pt2
4
71
972.64
mp-1096581
-1.749214
-8.394141
2.176506
other
Hf2Mo1Pt1
4
71
881.52
mp-1095845
-1.687396
-8.248401
2.007606
other
Li1Ti2Os1
4
71
840.5
mp-1097428
-2.543774
-8.530851
1.33073
other
Cd1Sn1Pd2
4
71
900.86
mp-1104277
-8.20642
-3.681364
5.018053
other
Ho3Ga8Ir3
14
71
253.91
mp-1097626
-2.676571
-8.322392
1.814087
other
Y2Mg1Zn1
4
71
1,389.72
mp-1097129
-2.073146
-8.351865
1.607976
other
Li1Cr1Rh2
4
71
581.44
mp-1097143
-1.962693
-8.544131
1.881346
other
Be2Co1Ru1
4
71
632.17
mp-1097263
-4.118234
-6.898822
1.554822
other
Cs2Rb1Na1
4
71
4,154.78
mp-1096132
-2.726987
-8.453409
1.679634
other
Y2Hg1Pd1
4
71
1,195.31
mp-1101164
8.155753
12.156676
-0.840459
other
Zn2Ni11O13
26
71
248.08
mp-1096346
-2.811747
-8.315059
1.484565
other
Li2Mg1Ag1
4
71
987.21
mp-1093547
-3.627726
-7.89624
1.626368
other
Ba2Ag1Hg1
4
71
1,815.21
mp-1096118
-2.819559
-8.502663
1.479775
other
Sc1Cd2Ag1
4
71
1,192.91
mp-9523
-4.32705
-3.645687
-3.364378
other
Rb1Th2Se6
9
71
270.63
mp-1097565
-1.759088
-8.367931
2.191052
other
Hf2Re1Ru1
4
71
849.12
mp-1095836
-1.7227
-8.229683
2.291944
other
Nb2Re1Pd1
4
71
785.57
mp-1097667
-2.981312
-8.235545
1.733088
other
Y1Sc1Tl2
4
71
1,315.16
mp-1095891
-3.345927
-8.177607
1.530426
other
Sr2Ag1Sb1
4
71
1,461.24
mp-1207941
-7.825634
-6.394239
6.495265
other
Y12In2Co4
18
71
464.82
mp-1222008
1.048841
1.71292
2.68831
other
Mg1Ta2N3
6
71
62.85
mp-1093895
-2.329193
-8.52442
1.381815
other
In1Ga1Pd2
4
71
883.89
mp-1093741
-2.936637
-8.336766
1.461453
other
Na1Li2Au1
4
71
989.83
mp-1096404
-1.967435
-8.53352
1.989323
other
Zr1Sc1Ir2
4
71
834.64
mp-1279065
12.364359
11.743725
-1.113956
other
V2Re2O8
12
71
132.06
mp-1096134
-2.143394
-8.531346
1.515616
other
Be1Ge1Pt2
4
71
967.22
mp-1097301
-1.524723
-8.278769
2.291461
other
Ti2Fe1Mo1
4
71
774.47
mp-637866
-7.740281
-3.474194
4.795421
other
Sc9Ni5Ge8
22
71
373.5
mp-1097531
-2.027284
-8.54546
1.664828
other
Be1Cr1Pt2
4
71
630.76
mp-1101850
-8.062892
-5.310969
3.301417
other
Ho3Cu4Sn4
11
71
222.84
mp-1246933
0.243534
2.108308
2.29564
other
Cr1W2N3
6
71
59.25
mp-1095934
-3.569219
-7.633247
1.728464
other
Ba2Zn1Au1
4
71
1,586.6
mp-1096693
-2.739944
-8.569852
1.309767
other
Li1Sb1Au2
4
71
913.45
mp-1097101
-2.200863
-8.566031
1.514663
other
Be1Pt2Au1
4
71
744.77
mp-1097444
-1.954241
-8.332424
1.704723
other
Ti1Cd1Rh2
4
71
826.69
mp-10669
-5.483743
-6.50574
3.711222
other
Ba3Al2Ge2
7
71
226.03
mp-38257
12.133154
11.181733
-1.442256
other
Na3W4O12
19
71
243.47
mp-1093576
-2.786081
-8.369169
1.732497
other
Y2Cd1In1
4
71
1,363.3
mp-1093859
-3.158894
-8.297363
1.241158
other
Tl1In2Bi1
4
71
1,199.83
mp-1096680
-3.176825
-8.669431
1.279524
other
Li1Ca1Hg2
4
71
1,348.8
mp-1097138
-1.587389
-8.329082
2.12347
other
Hf1Ti1Os2
4
71
810.2
mp-1093954
-2.296779
-8.451346
1.683008
other
Be2Pd1Au1
4
71
567.24
mp-1096058
-3.455289
-7.669406
1.831013
other
Ba2Zn1Ga1
4
71
1,656.86
mp-1095932
-1.976079
-8.41307
2.211281
other
Zr2Cu1Re1
4
71
868.47
mp-1097304
-2.386698
-8.317777
1.560197
other
Mg2Cu1Ir1
4
71
751.72
mp-1096228
-1.535941
-8.357189
2.162861
other
Ti2Fe1Ru1
4
71
1,128.6
mp-1096416
-2.765862
-8.325845
1.462568
other
Li2Mg1Au1
4
71
908.5
mp-1097389
-2.367906
-8.332296
1.91793
other
Sc2Ti1Tl1
4
71
1,243.8
mp-1096754
-1.835844
-8.15114
1.948503
other
Tc2Ge1As1
4
71
703.62
mp-1096645
-1.734816
-8.382294
2.115018
other
Hf1Zr1Os2
4
71
640.36
mp-1097212
-2.319211
-8.372689
1.622063
other
Y1Cd1Rh2
4
71
959.74
mp-1095769
-3.26582
-8.232476
1.679741
other
Ca1La1Tl2
4
71
1,611.72
mp-1097591
-2.711484
-8.353086
1.379625
other
Mg2In1Ag1
4
71
1,116.6
mp-1190071
-8.246006
-6.312842
6.373381
other
Er12Ga2Co4
18
71
428.34
mp-1096065
-1.921656
-8.316148
2.185084
other
Hf2Mn1Re1
4
71
907.07
mp-28683
-0.734148
1.92335
-2.958088
other
Ta2I4Cl4
10
71
323.36
mp-1096088
-1.430921
-8.29879
2.354903
other
Nb2Mo1Ru1
4
71
758.13
mp-1097450
-2.346759
-8.272338
1.613083
other
Mg1Sc1Ni2
4
71
703.52
mp-1096114
-3.011774
-8.494591
1.183365
other
Cd1In1Ag2
4
71
1,037.91
mp-1097533
-1.648673
-8.6223
1.84422
other
V1Sn1Ru2
4
71
1,121.73
mp-8996
-2.485359
0.433359
2.328036
other
Sc3Ru1C4
8
71
92.53
mp-1093763
-2.348698
-8.356697
1.60615
other
Y1Tl1Rh2
4
71
1,000.39
mp-1222543
7.736888
13.92025
-1.249438
other
Li1Co2O3
6
71
54.32
mp-1093948
-3.055641
-8.367729
1.696064
other
Sr1La1Ag2
4
71
1,302.23
mp-1207234
-7.962961
-4.365666
4.350554
other
Yb2Ga1Ni2
5
71
91.92
mp-1005689
-7.993199
-6.705025
6.990042
other
Sm12Ga2Co4
18
71
462.58
mp-3603
1.727417
2.083652
2.08886
other
Ce3B2N4
9
71
116.85
mp-1096273
-2.120638
-8.30496
1.884712
other
Mn2Cr1Fe1
4
71
666.59
mp-1096652
-3.050595
-8.388689
1.399105
other
Ca1Tl1Ag2
4
71
1,315.57
mp-1096129
-2.639058
-8.484775
1.762794
other
La2Hg1Ru1
4
71
1,340.5
mp-1096708
-2.58397
-8.411342
1.422792
other
Na1Ag1Pd2
4
71
1,043.38
mp-1105993
-7.870049
-6.390045
6.372492
other
Tb12Ni4Sn2
18
71
465.47
mp-1093925
-3.677844
-7.325858
1.804252
other
Ba2P1Au1
4
71
1,496.15
mp-568370
-5.027196
-3.8684
5.821798
other
La3Si4Ni4
11
71
202.73
mp-1093686
-1.793637
-8.41996
1.848353
other
Zr1Ga1Ru2
4
71
801.76
mp-1101316
8.592716
1.974727
0.377024
other
Ta1O1F3
5
71
69.53
mp-1095800
-3.113024
-8.231087
1.626369
other
Li1Ca2Sn1
4
71
1,463.51
mp-540803
-5.397681
-5.974919
0.744899
other
Sr3Li4Sb4
11
71
288.21
mp-1097557
-2.123337
-8.512218
1.6833
other
Be2Zn1Pt1
4
71
560.82
mp-1093769
-1.561798
-8.376757
2.242381
other
Ti1Cr1Tc2
4
71
756.72
mp-1093936
-1.967802
-8.487236
1.88438
other
Be2Zn1Os1
4
71
558.81
mp-1097189
-3.234788
-8.311762
1.663628
other
Sr2Ag1Sn1
4
71
1,559.13
mp-1093646
-2.142977
-8.543119
1.53492
other
Sn1Rh2Au1
4
71
841.59
mp-1096667
-1.724783
-8.298719
2.074311
other
Ta1Be1Os2
4
71
730.32
mp-1097643
-1.839049
-8.303491
2.0746
other
Hf2Co1Os1
4
71
844.56
mp-1095952
-2.315233
-8.554524
1.782339
other
Sc1Ti1Zn2
4
71
1,017.19
mp-1101777
-7.901959
-6.400505
3.488003
other
Pr3Ag4Sn4
11
71
271.43
mp-7608
8.595359
12.053679
-0.461113
other
Li2Pd1O2
5
71
51.33
mp-1095785
-2.184169
-8.413795
1.804103
other
Be2Co1Cu1
4
71
524.62
mp-1096064
-2.366463
-8.542732
1.670199
other
Zr1Zn1Pd2
4
71
879.2
mp-1097148
-1.986488
-8.27442
1.956086
other
Sc1Ti1Co2
4
71
667.14
mp-1093929
-3.74064
-7.727313
1.718093
other
Ba2Na1Tl1
4
71
2,146.61
mp-1095871
-1.930628
-8.29166
2.018417
other
Ta1Be2Os1
4
71
713.44