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-1185981
-7.701115
-1.5624
3.667271
other
Mn2Ir1Rh1
4
225
55.54
mp-569440
-8.536745
-7.061154
3.446262
other
Tm1In1Ag2
4
225
81.49
mp-982739
-7.406774
-3.519531
4.861056
other
Tm1Hf1Co2
4
225
66.94
mp-1184589
-6.169394
-1.419185
4.108987
other
Hf1Tc2Mo1
4
225
63.79
mp-1187625
-8.585252
-5.450966
5.711171
other
Tm2Ni1Pt1
4
225
77.23
mp-1184568
-6.528651
-2.585804
4.272124
other
Hf2Zn1Tc1
4
225
70.03
mp-973996
-8.419865
-5.907108
5.756972
other
Lu2Ga1Cu1
4
225
80.17
mp-1213199
-8.185977
-4.411439
2.170779
other
Dy3Si6Pd20
29
225
456.18
mp-864607
-8.501114
-4.913928
2.837079
other
Zr1Cd1Pd2
4
225
70.64
mp-865743
-8.197589
-2.423272
3.833494
other
Ga2Ir1Rh1
4
225
54.93
mp-1185251
-7.810005
-7.015243
5.868468
other
Li1Y2Hg1
4
225
100.53
mp-867802
-8.359033
-4.463744
4.973576
other
Sc2Cu1Os1
4
225
66.57
mp-569149
1.60221
2.688116
-5.402416
other
K2Te1Cl6
9
225
261.17
mp-1187409
-6.935977
-5.397533
5.776192
other
Th2Cu1Tc1
4
225
91.41
mp-867917
-8.066325
-2.438024
3.437074
other
Cu1Ge1Rh2
4
225
52.31
mp-861994
-7.866652
-7.195865
5.653508
other
Ho2Tl1Cd1
4
225
103.32
mp-1194164
-7.81839
0.335645
3.631828
other
In2Co21B6
29
225
295.1
mp-982443
-6.082575
-7.189314
2.937201
other
Na1Ca1Pb2
4
225
115.7
mp-1187238
-6.510736
-1.18812
4.193254
other
Ta1Mn2Ga1
4
225
52.84
mp-10873
-8.971429
-6.041559
2.897712
other
Sc1Al1Au2
4
225
70.26
mp-866174
-8.893973
-6.327022
2.693871
other
Th1Sn1Au2
4
225
92.18
mp-865030
-7.606753
-2.750633
4.740407
other
Hf1Sc1Ru2
4
225
65.97
mp-866071
-7.075554
-1.746666
4.385297
other
Mg1Ta1Os2
4
225
61.41
mp-864651
-6.10228
-2.150426
3.929408
other
Ta2Nb1Ru1
4
225
66.74
mp-865258
-8.71783
-4.137957
4.609111
other
Tb1Yb1Rh2
4
225
78.02
mp-1187704
-8.296104
-6.86756
5.285517
other
Y2Zn1Ag1
4
225
93.54
mp-1186617
-8.997005
-5.565702
6.266552
other
Pm1Nd1Ir2
4
225
87.39
mp-977362
-8.223448
-2.385362
3.483671
other
Zn1Ga1Rh2
4
225
53.54
mp-631548
-5.804163
-6.933217
2.301851
other
Tl2Si1Ni1
4
225
81.09
mp-571154
-5.419558
-7.052321
3.524697
other
Sr22Al8Sn6
36
225
1,324.43
mp-1111945
8.927143
0.885451
1.428236
other
Na3Al1F6
10
225
128.64
mp-1183583
-7.968839
-6.948643
5.001809
other
Ca1Y1Zn2
4
225
92.92
mp-861983
-6.573356
-1.17306
4.422318
other
Ti2Mn1Fe1
4
225
57.13
mp-865887
-9.056022
-6.349077
2.911414
other
Tm1Cd1Au2
4
225
80.58
mp-864744
-8.702315
-3.223728
4.072739
other
Ho1Mg1Rh2
4
225
68.63
mp-865808
-8.352269
-6.427872
6.733851
original
Li1Nd2Ir1
4
225
93.26
mp-862619
-7.879889
-6.343359
5.123096
other
Li1Er1In2
4
225
92.24
mp-1183938
-4.425846
-5.840106
0.718934
other
Cs1K2As1
4
225
149.25
mp-1183148
-7.525052
-1.221738
3.609956
other
Al1Ga1Co2
4
225
45.34
mp-12580
-6.680331
-6.981178
2.663967
other
Li2Cd1Sn1
4
225
74.26
mp-1187121
-5.264547
-7.184297
3.534812
other
Sr2Mg1In1
4
225
137.47
mp-1205766
2.301281
2.855376
-4.314027
other
Mo1N2Cl6
9
225
267.18
mp-972650
-8.875185
-5.524937
6.17718
other
Sm1Dy1Rh2
4
225
81.7
mp-1113828
8.834945
0.289851
0.888944
other
Rb3Mn1F6
10
225
196.64
mp-4536
-8.158751
-2.299793
2.903985
other
Sc1Ni2Sn1
4
225
59.98
mp-1186628
-8.99142
-5.628904
6.302358
other
Pm1Pr1Ir2
4
225
88.43
mp-1207208
8.568887
1.123468
0.366474
other
Ga1Ag3F6
10
225
155.61
mp-866133
-7.758632
-7.183884
5.604344
other
Lu2Tl1Cd1
4
225
98.87
mp-978545
-8.244454
-7.178984
5.187599
other
Sm2Ag1Hg1
4
225
103.83
mp-1184103
-8.247499
-3.814347
5.773743
other
Dy1Th1Ru2
4
225
83.37
mp-14088
8.439987
1.062011
-0.003727
other
Rb2Pd1F6
9
225
152.86
mp-998970
-6.699589
-0.892539
2.799576
other
Ti1Fe2Sb1
4
225
55.24
mp-1184134
-8.716986
-6.177637
6.343253
other
Er2Cd1Os1
4
225
85.24
mp-1111185
-0.447117
1.174991
-4.508053
other
K3Al1Br6
10
225
357.34
mp-1184836
-9.031321
-5.800546
4.711873
other
Ho1Lu1Pd2
4
225
81.42
mp-864902
-8.131113
-3.044314
3.198965
other
Mg1Tl1Rh2
4
225
64.71
mp-980647
-7.601902
-2.471838
5.046918
other
Tm1Th1Os2
4
225
82.93
mp-972396
-6.316983
-1.604171
4.209278
other
Ti2Mn1Re1
4
225
57.35
mp-1185766
-8.309835
-3.285827
3.631261
other
Mg2Ir1Rh1
4
225
61.02
mp-861930
-8.402053
-5.820372
2.189155
other
Li1Pd1Au2
4
225
63.47
mp-867284
-8.89932
-5.814528
6.183228
other
Ho2Cu1Rh1
4
225
79.06
mp-1184867
-8.329641
-7.716132
4.619797
other
Ho1Tm1Hg2
4
225
97.8
mp-862948
-6.215765
-7.014409
3.740391
other
Li2Pm1Pb1
4
225
83.71
mp-1147668
7.572126
11.023377
-0.80776
other
Cu6Ni1O6
13
225
138.8
mp-979981
-7.224825
-6.557685
4.675468
other
Ac1Yb1Ga2
4
225
110.57
mp-977425
-6.301907
-1.790404
4.021718
other
Ta2Cr1Ru1
4
225
60.88
mp-1187706
-8.267904
-7.190363
5.230001
other
Y2Cd1Hg1
4
225
102.76
mp-864844
-9.010495
-4.70701
2.628063
other
Zn2Rh1Au1
4
225
57.3
mp-1184967
-6.725996
-7.04132
2.620879
other
Li2Pb1Au1
4
225
72.36
mp-1114105
1.183133
2.390534
-5.910461
other
Rb3Gd1Cl6
10
225
387.2
mp-862961
-8.501134
-3.0703
3.442677
other
Pm1Sn1Rh2
4
225
75.68
mp-1185943
-7.152285
-1.245329
4.173097
other
Mg1Ru2W1
4
225
58.14
mp-30069
-6.565498
-2.400521
1.167647
other
Cu1Ni2Sb1
4
225
53.4
mp-862257
-8.534948
-5.498117
4.250788
other
Sc2Zn1Au1
4
225
76.01
mp-1185126
-6.130391
-6.525603
4.685992
other
Li2Y1Al1
4
225
75.97
mp-1110569
8.51427
0.998503
1.087217
other
Na3In1F6
10
225
157.33
mp-1184437
-7.817623
-6.881034
2.82076
other
Eu1In1Ag2
4
225
94.7
mp-865651
-7.721787
-7.276119
5.621657
other
Y2Tl1Cd1
4
225
105.68
mp-867881
-8.412987
-3.196581
3.54324
other
Sc1Tl1Rh2
4
225
67.45
mp-1184455
-7.389881
-6.877961
3.395494
other
Eu1Cd2In1
4
225
99.82
mp-983410
-9.050886
-6.006155
5.155434
other
Ho2Cu1Pd1
4
225
81.96
mp-865138
-7.107304
-3.102472
4.359565
other
Hf2Mn1Ir1
4
225
65.61
mp-1208495
-7.714948
-4.272753
1.356349
other
Tb3P6Pd20
29
225
453.77
mp-1184030
-8.575233
-4.328379
2.291385
other
Ga1Cu1Pd2
4
225
54.93
mp-867285
-8.535405
-6.188245
6.562582
other
Li1Tb2Ir1
4
225
84.02
mp-1111145
9.191795
0.317075
0.595702
other
K3Co1F6
10
225
156.44
mp-865981
-8.318608
-7.998657
3.432487
other
Tm1Mg1Hg2
4
225
87.68
mp-1187574
-8.404203
-3.463557
3.912878
other
Yb1Mg1Rh2
4
225
66.64
mp-1185174
-8.67153
-6.342512
3.107731
other
La1Eu1Au2
4
225
108.2
mp-1184250
-7.313689
-7.655934
2.377306
other
Eu1Tl1Hg2
4
225
106.77
mp-979431
-8.538255
-6.792439
5.39611
other
Y1Lu1Zn2
4
225
86.87
mp-1191885
2.834709
-0.376481
-1.752359
other
Mg1Ti7H16
24
225
175.5
mp-1187757
-8.927356
-6.127195
6.565053
other
Y2Ru1Au1
4
225
86.77
mp-1112969
-1.231408
3.186236
-3.033923
other
Cs3In1I6
10
225
566.68
mp-862974
-8.865271
-6.115191
2.819473
other
Pm1Zn1Au2
4
225
82.28
mp-865926
-8.450658
-4.922135
2.456795
other
Cd2Pd1Rh1
4
225
66.71
mp-3942
-8.525496
-4.917768
2.737031
other
Tm1Sn1Pd2
4
225
74.97
mp-862312
-8.389466
-4.612051
2.502855
other
Li1Be1Pd2
4
225
46.96
mp-865608
-7.679167
-2.331897
5.040506
other
Lu1Pa1Os2
4
225
78.42
mp-1111074
9.266134
1.880859
0.998892
other
Li3As1F6
10
225
129.44