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-862493
-7.620394
-6.158875
6.233447
other
Li1Er2Al1
4
225
93.33
mp-866191
-4.390855
-5.638289
5.366025
other
Li2Yb1Si1
4
225
69.49
mp-867507
-6.575576
-0.230865
3.789187
other
Ta1Ga1Fe2
4
225
50.38
mp-1184595
-9.044243
-5.896714
6.2347
other
Ho2Ir1Au1
4
225
83.59
mp-1183493
-7.596953
-5.483511
3.775342
other
Ca2Pd1Pt1
4
225
84.5
mp-866073
-8.219801
-2.589992
3.172857
other
Mg1Sn1Rh2
4
225
62.22
mp-569066
-1.230942
3.132048
-3.107543
original
Cs2Pd1I6
9
225
385.14
mp-866166
-8.960575
-5.968806
6.587276
other
Y2Pd1Ru1
4
225
81.62
mp-1184991
-6.471028
-6.872913
2.746065
other
Li2Sn1Pb1
4
225
84.66
mp-973283
-8.614535
-6.745088
4.703557
other
Ho1Lu1Ag2
4
225
90.39
mp-1185449
-9.026088
-5.837251
6.547798
other
Lu2Co1Os1
4
225
71.9
mp-867502
-7.4733
-6.048433
3.35632
other
Eu2Pt1Au1
4
225
100.52
mp-864791
-5.784664
-3.943355
-0.916414
other
Pa1Ag1Te2
4
225
105.1
mp-865783
-8.772232
-4.094959
4.643775
other
Yb1Ho1Rh2
4
225
76.73
mp-1187937
-8.042387
-6.661359
3.084823
other
Yb1Al1Ag2
4
225
79.9
mp-1187099
-6.09967
-7.393512
3.156179
other
Sr2Tl1Hg1
4
225
129.49
mp-973831
-8.458935
-5.126225
3.507909
other
Li1Ho1Pd2
4
225
72.82
mp-1183416
-7.041745
-0.255099
3.889409
other
Be1Cr1Fe2
4
225
38.77
mp-1186576
-8.437907
-4.684743
2.897099
other
Pm1Ge1Pd2
4
225
75.01
mp-867779
-6.096471
-1.325406
4.254632
other
Ta2Cr1Fe1
4
225
57.1
mp-865421
-5.983492
-1.520252
4.27984
other
U1Ga1Tc2
4
225
66.43
mp-1111642
8.482121
1.469262
1.096619
other
Na3Sb1F6
10
225
170.89
mp-866154
-7.939467
-2.092936
3.843241
other
Ti1Be1Ir2
4
225
52.04
mp-1186135
-6.280629
-7.010393
2.864877
original
Na1Li2Sn1
4
225
83.01
mp-672275
-8.165113
-4.462076
2.135753
other
Ce3Ge6Pd20
29
225
495.13
mp-1185010
-5.955852
-7.304246
3.437737
other
Li2Ca1Tl1
4
225
86.57
mp-1192680
-7.0621
-2.23591
5.94018
other
Ti6Al16Os7
29
225
452.56
mp-978100
-8.067059
-6.869752
5.420406
other
Pr2In1Ag1
4
225
114.28
mp-973270
-9.090608
-6.080944
6.618822
other
Ho2Ru1Au1
4
225
82.71
mp-972410
-9.074688
-5.835925
4.793029
other
Tm1Lu1Pd2
4
225
80.28
mp-21014
-8.468756
-4.909365
2.696245
other
Dy1Sn1Pd2
4
225
76.78
mp-867279
-8.037463
-3.000237
5.334903
other
Dy1Pa1Ru2
4
225
79.11
mp-1184202
-8.889429
-5.936974
5.041275
other
Er1Lu1Cu2
4
225
77.24
mp-1183061
-7.030049
-7.6135
4.968692
other
Ac2Zn1Sn1
4
225
129.37
mp-1183812
-7.51281
-8.641727
6.36371
other
Ce1Pm1Mg2
4
225
116.2
mp-865965
-4.114323
-5.481141
5.281886
other
Li2Ca1Si1
4
225
69.94
mp-1186111
-6.840488
-7.214568
4.177354
other
Na1Ac1In2
4
225
123.58
mp-1147689
8.305508
10.627287
-0.463585
other
Ta1Cu6O8
15
225
197
mp-1185489
-8.191281
-4.110011
3.365241
other
Lu1In1Pt2
4
225
74.14
mp-1183860
-8.122206
-7.504633
4.180691
other
Ce1Pr1Hg2
4
225
113.48
mp-1185186
-6.221289
-7.304358
3.703696
other
Li2Yb1Tl1
4
225
88.06
mp-972660
-8.881918
-5.430578
6.095296
other
Sm1Ho1Rh2
4
225
81.11
mp-1185218
-6.600383
-6.141819
4.703375
other
Li1Ce2Pb1
4
225
113.56
mp-865795
-8.04672
-4.412478
5.0171
other
Li1Sc2Ru1
4
225
69.54
mp-864748
-7.721821
-6.829417
6.112211
other
Gd2Mg1In1
4
225
109.2
mp-867878
-6.416431
-0.267517
3.666192
other
Al1Fe2Si1
4
225
42.7
mp-1184838
-8.13031
-6.558862
5.806512
other
Ho1Lu1In2
4
225
101.07
mp-973101
-8.813248
-5.45177
6.475944
other
La1Ho1Ru2
4
225
82.31
mp-861981
-8.971295
-6.565585
5.20299
other
Ho1Mg1Zn2
4
225
76.74
mp-973951
-8.978898
-5.719965
6.156488
other
Lu2Cu1Rh1
4
225
74.79
mp-1110731
-0.487554
1.194592
-4.581243
other
Rb3Ga1Br6
10
225
392.64
mp-974583
-9.040504
-5.542927
6.313298
other
Nd1Sm1Ir2
4
225
87.8
mp-975893
-8.980941
-6.268015
2.806502
other
Pr1Mg1Au2
4
225
89.26
mp-631425
-5.909611
-1.124231
3.5416
other
Fe1Tc2Cl1
4
225
53.94
mp-865241
-6.838648
-2.160469
4.351981
other
Tm1Nb1Os2
4
225
68.98
mp-864966
-7.332313
-1.489463
4.163427
other
Mn1Si1Ru2
4
225
50.95
mp-865486
-7.330443
-1.405828
4.051133
other
V1Zn1Ru2
4
225
53.23
mp-862965
-8.712364
-6.405995
2.670963
other
Pm1Tl1Au2
4
225
91.33
mp-865192
-7.631261
-6.749251
2.669488
other
Eu1Ag2Sn1
4
225
90.82
mp-865903
-8.220695
-4.455445
3.662454
other
Yb1Pm1Pt2
4
225
86.79
mp-30419
-8.397758
-5.297287
2.91552
other
U1Sn1Au2
4
225
88.44
mp-975788
-8.146387
-7.243178
4.966078
other
Pr2Ag1Hg1
4
225
110.29
mp-557397
9.399034
0.548012
0.370334
other
K2Mn1F6
9
225
131.35
mp-1185322
-8.679844
-5.460231
2.550602
other
Li1Cu1Au2
4
225
58.06
mp-1208343
-5.330409
-1.429794
4.519584
other
Ta6Be15Ni8
29
225
300.57
mp-5385
-8.490251
-4.896873
2.693025
other
Tb1Sn1Pd2
4
225
77.45
mp-975933
-8.021006
-6.551986
5.723117
other
Nd1Ho1In2
4
225
109.39
mp-861969
-7.231468
-7.392952
4.888546
other
Li1Tm1Tl2
4
225
94.02
mp-865248
-7.108055
-2.116972
4.334133
other
Tm1Nb1Ru2
4
225
68.08
mp-864957
-7.240661
-1.899456
3.744911
other
Mn1Sb1Ru2
4
225
59.81
mp-861928
-7.598662
-7.607754
2.599484
other
Eu1Mg1Hg2
4
225
99.13
mp-1205508
9.07878
1.533137
0.828907
other
V1Ag3F6
10
225
160.37
mp-862722
-8.92172
-6.367222
3.026721
other
Li1Ho1Au2
4
225
78.13
mp-1186951
-8.385406
-4.236757
4.619967
other
Sc2Pd1Rh1
4
225
69.2
mp-1185491
-8.708526
-4.552453
5.151455
other
Lu1Sc1Ir2
4
225
71.63
mp-1183442
-7.605298
-4.678363
1.048008
other
Bi1Pd2Au1
4
225
72.99
mp-864896
-6.714782
-2.526601
4.217969
other
Zr2Co1Tc1
4
225
68.34
mp-865495
-6.255362
-0.799853
3.694117
other
V2Cr1Tc1
4
225
51.75
mp-1205769
2.30325
2.878109
-4.331727
other
W1N2Cl6
9
225
275.99
mp-862615
-8.95307
-5.732494
6.521427
other
Er2Ni1Ru1
4
225
74.3
mp-983908
-8.810622
-6.471021
5.024235
other
Er2Zn1Au1
4
225
87.46
mp-862918
-7.955325
-8.855868
6.855924
other
Pm1Ho1Mg2
4
225
111.46
mp-1184526
-8.150065
-7.831204
4.454592
other
Gd1Y1Hg2
4
225
103.01
mp-1185434
-8.05251
-3.572957
2.661789
other
Li1Sn1Pt2
4
225
62.69
mp-1187095
-6.792088
-6.579236
3.142604
other
Sr2Pd1Au1
4
225
111.37
mp-972957
-7.30171
-2.226506
4.564562
other
Sc1Ti1Ru2
4
225
61.28
mp-975368
-5.143038
-7.302983
3.811294
other
Li1Ca2Mg1
4
225
127.46
mp-22975
1.55267
2.688965
-5.47932
other
Rb2Te1Cl6
9
225
272.03
mp-978532
-7.903714
-2.291066
3.759556
other
Cu1Si1Rh2
4
225
49.89
mp-1110733
1.221924
2.324217
-5.849127
other
Rb3Ce1Cl6
10
225
403.92
mp-865162
-8.115688
-2.505781
3.221506
other
Mg1Ge1Rh2
4
225
55.47
mp-30763
-8.034747
-5.082432
2.137874
other
Li1Pd2Pb1
4
225
66.73
mp-1186481
-8.231499
-6.448349
6.333398
other
Pm2Ni1Pd1
4
225
87.13
mp-983426
-8.668363
-6.259583
5.24575
other
Pm1Dy1Cu2
4
225
85.04
mp-975176
-4.278782
-7.108611
1.368924
original
Rb2Hg1Au1
4
225
161.38
mp-1188083
-8.187934
-6.050516
2.496327
other
Pu1In1Au2
4
225
88.01
mp-867903
-8.818645
-6.314764
3.064458
other
Li1Lu1Au2
4
225
74.94
mp-974523
-7.60847
-7.345833
5.548894
other
Nd1Er1Tl2
4
225
111.07
mp-570683
-8.46244
-6.886913
3.47805
other
Pr1In1Ag2
4
225
90.54
mp-864925
-8.782683
-6.691031
5.114743
other
Nd1Mg1Zn2
4
225
83.3