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-865257
-8.596437
-3.02684
3.936447
other
Dy1Zn1Rh2
4
225
65.44
mp-867330
-7.433235
-0.795435
4.25364
other
Al2Fe1Ni1
4
225
47.39
mp-1186657
-8.41856
-6.929304
5.466321
other
Pm1Tm1Zn2
4
225
91.15
mp-977453
-6.108576
-7.049745
3.788381
other
Ca2Cd1In1
4
225
112.29
mp-1112344
1.429459
2.648928
-5.85506
other
Cs3Tl1Cl6
10
225
406.68
mp-1207195
-5.858342
-5.920821
0.999769
other
Li2Ti1Bi1
4
225
77.36
mp-1183816
-7.859392
-2.853657
4.93289
other
Dy1Np1Ru2
4
225
77.71
mp-1184635
-8.093528
-6.146321
5.947615
other
Ho2Zn1Ga1
4
225
87.66
mp-1018074
-7.865751
-1.05012
2.905603
other
Ga1Fe1Ni2
4
225
47.52
mp-1221343
8.322563
12.372258
-0.902155
other
Mn1Ni7O8
16
225
154.88
mp-984549
-8.919147
-5.672026
6.254292
other
Pm1Dy1Rh2
4
225
82.39
mp-1188009
-8.218005
-7.04873
3.325209
other
Zr1Cd1Ag2
4
225
75.99
mp-23438
6.203735
8.697861
-0.10113
other
Ba2Bi2O6
10
225
173.6
mp-865983
-8.190383
-8.156022
3.312745
other
Tm1Cd1Hg2
4
225
88.82
mp-1193847
-7.384972
-2.693685
5.697891
other
Hf6Al16Co7
29
225
431.33
mp-862942
-8.615075
-6.363817
2.985998
other
Na1Pm1Au2
4
225
90.05
mp-971819
-8.068316
-6.58867
5.758917
other
Y1Lu1In2
4
225
102.44
mp-864992
-7.30148
-1.656673
4.22707
other
Mn1Nb1Ru2
4
225
59.6
mp-1185617
-8.802574
-4.754888
2.942548
other
Mg1Zn2Pt1
4
225
61.34
mp-978907
-8.242339
-7.348483
3.381978
original
Tb1Tl1Ag2
4
225
85.93
mp-1187590
-8.601364
-5.145262
3.41926
other
Tm1Mg1Pd2
4
225
73.08
mp-864756
-6.361833
-6.924989
4.115801
other
Yb2Mg1In1
4
225
114.73
mp-1192828
-7.643975
-6.015496
2.892921
other
Ca6Cd16Pt8
30
225
648.11
mp-1183166
-7.587315
-4.724641
1.033196
other
Ag1Bi1Pd2
4
225
72.78
mp-1184580
-8.422473
-2.901014
3.931252
other
Hf1Zn1Rh2
4
225
60.21
mp-1187856
-9.054155
-5.537345
6.188992
other
Y1Ho1Ir2
4
225
79.06
mp-865876
-6.440461
-1.622422
4.120611
other
Ti2Tc1Os1
4
225
58.87
mp-867854
-5.994695
-6.946691
3.731535
original
Ca2Zn1Rh1
4
225
86.9
mp-973170
-8.982905
-6.104918
2.895483
other
Sc1Cd1Au2
4
225
75.64
mp-865076
-7.418314
-6.260294
2.701874
other
Na1Cd2Pt1
4
225
75
mp-1006056
-8.067362
-2.052271
3.070174
other
Pa1Ni2Ge1
4
225
62.73
mp-1206954
-8.518822
-5.259804
2.864582
other
Tm1Pd2Pb1
4
225
78.05
mp-554222
8.667416
1.462915
0.666306
other
Zr1Co1F6
8
225
136.21
mp-1191949
7.137239
5.091659
-2.035031
other
Ir1N9O12
22
225
211.98
mp-1184624
-7.929645
-6.725128
6.314309
other
Ho2Mg1Cd1
4
225
103.92
mp-1184732
-9.040512
-5.602009
6.308981
other
Gd1Y1Ir2
4
225
81.24
mp-861507
-8.255772
-2.542074
4.126047
other
Sc1Al1Ir2
4
225
59.83
mp-1183743
-8.839703
-6.125549
2.928663
other
Ce1Zn1Au2
4
225
85
mp-1110922
-0.337079
1.053132
-4.302112
other
K3Y1Br6
10
225
413.96
mp-1184689
-8.955783
-5.97883
6.777707
other
Ho2Ni1Ru1
4
225
75.58
mp-977405
-8.529435
-5.996641
6.41042
other
Li1Lu2Rh1
4
225
77.93
mp-1184978
-7.119883
-7.468748
2.851922
other
Li2In1Hg1
4
225
72.77
mp-1208611
2.940716
-0.353983
-1.790253
other
Th6Mn23H44
73
225
602.59
mp-865523
-8.065517
-2.284022
3.675128
other
Ti1Mn1Rh2
4
225
57.51
mp-1113159
8.412044
1.092585
0.992308
other
Cs3As1F6
10
225
226.21
mp-977562
-9.097699
-6.462372
2.847347
other
Nd1Cd1Au2
4
225
88.71
mp-1186232
-5.928257
-1.274788
4.123209
other
Nb1Tc2Sn1
4
225
66.02
mp-865490
-6.75984
-0.522802
3.732084
other
V2Cr1Fe1
4
225
47.14
mp-1187339
-8.977835
-6.340775
2.812148
other
Tb1Ga1Au2
4
225
80.86
mp-866041
-7.787336
-1.998457
4.201312
other
Ga2Ir1Ru1
4
225
54.49
mp-30606
-8.577153
-5.072794
3.21093
other
Dy1In1Pd2
4
225
76.75
mp-631323
-6.498342
-6.887928
2.314723
other
Hg1Os1Pb2
4
225
93.11
mp-649627
-4.296401
-1.271828
-5.509116
other
Cu6Sb2S8
16
225
455.13
mp-1187901
-6.703606
-6.781326
3.604258
other
Yb2In1Pb1
4
225
114.95
mp-867895
-8.724407
-6.302803
6.748601
other
Sm2Cu1Ru1
4
225
84.58
mp-1187564
-8.858941
-5.448385
4.181166
other
Tm1Sc1Pd2
4
225
76.8
mp-867862
-8.361803
-6.86899
3.630389
other
Sm1Mg1Ag2
4
225
87.4
mp-865639
-8.072681
-2.995064
5.309343
other
Lu1Pa1Ru2
4
225
77.08
mp-865284
-8.769156
-6.234069
6.698861
other
Tm2Cd1Os1
4
225
84.1
mp-1185207
-7.548363
-7.709627
2.005654
other
Li1Cd1Hg2
4
225
82.36
mp-1184824
-7.589288
-5.636908
6.538907
other
Ho1Lu1Al2
4
225
89.21
mp-5748
-8.064237
-2.174695
2.91859
other
Hf1Al1Ni2
4
225
54.81
mp-631491
-6.249893
-1.929121
4.223454
other
Ba1Nb1Tc2
4
225
78.99
mp-999258
-7.412745
-3.815844
5.192658
other
Sc2Mn1Ge1
4
225
72.59
mp-867130
-7.994925
-8.727277
6.947678
other
Sm1Ho1Mg2
4
225
110.74
mp-10131
-8.493097
-0.40683
2.355031
other
Zn3Ni20B6
29
225
280.5
mp-1211124
1.415254
2.381398
-5.458178
other
Li6Ni1Cl8
15
225
261.25
mp-1187939
-8.16286
-2.667665
3.229398
other
Zn1Sn1Rh2
4
225
60.02
mp-865145
-5.828761
-6.679183
1.166207
other
Na1Tl2Bi1
4
225
121.12
mp-984767
-8.083717
-6.588614
5.787076
other
Dy1Ho1In2
4
225
103.87
mp-1185443
-6.410416
-7.02382
3.005512
other
Li1Yb1Pb2
4
225
106.58
mp-865736
-6.966142
-4.907516
0.874033
other
Yb1Bi1Pd2
4
225
82.12
mp-1111330
1.225336
2.206012
-5.277147
other
K3Ta1Cl6
10
225
320.74
mp-1186313
-8.449043
-6.865606
5.388229
other
Nd1Ho1Zn2
4
225
93.43
mp-1193089
-8.137827
-3.539727
4.864611
other
Hf6Ga16Rh7
29
225
472.58
mp-865513
-6.700033
-4.420264
0.710658
other
Y1Sb1Pd2
4
225
79.62
mp-862631
-4.884245
-6.190927
1.16075
other
Ba2Sb1Au1
4
225
143.17
mp-865224
-5.588452
-4.837032
1.123148
other
Th2Bi1Te1
4
225
118.88
mp-31208
-8.235489
-4.861966
3.844775
other
Li1In2Ir1
4
225
68.17
mp-861665
-7.783424
-6.467795
5.253587
other
Li1Tm1In2
4
225
91.7
mp-865229
-6.136746
-1.511607
3.91594
other
Be2Ni1Ir1
4
225
39.32
mp-981933
-8.049634
-5.352613
2.33159
other
Na1Pd2Pb1
4
225
72.75
mp-982017
-7.481153
-7.402758
5.51157
other
Pr1Y1Tl2
4
225
114.5
mp-569174
-3.977653
-5.461127
5.239352
other
Li16Mg8Si8
32
225
513.05
mp-1184612
-6.747992
-2.450646
4.358877
other
Hf2Tc1Ni1
4
225
65.85
mp-1205753
8.130266
1.058644
0.543716
other
K3Yb1F6
10
225
200.1
mp-980201
-8.053617
-3.714653
4.707062
other
Tm1Hf1Ir2
4
225
73.98
mp-19850
-7.428382
-0.873343
3.107131
other
Mn1Co2Ge1
4
225
45.96
mp-1185619
-9.175786
-4.106232
3.425191
other
Mg1Zn2Rh1
4
225
57.68
mp-865681
-7.179517
-1.696485
4.455492
other
Ti1Si1Ru2
4
225
53.13
mp-1187434
-6.433322
-1.333957
4.100907
other
Ti2Fe1Tc1
4
225
55.92
mp-862684
-6.712578
-3.08403
4.437911
other
Li1Hf2Os1
4
225
68.79
mp-865536
-8.459703
-4.220071
4.680386
other
Yb1Zr1Rh2
4
225
72.46
mp-864614
-8.289457
-8.942114
4.558993
other
Li1Mg2Pt1
4
225
64.74
mp-865906
-8.539633
-5.559728
3.826317
other
Yb1Pm1Pd2
4
225
88.33
mp-1184914
-6.176116
-7.036095
3.658106
other
Li2Eu1In1
4
225
91.8
mp-1187453
-6.104301
-2.583055
4.071487
other
Ti2Al1Ni1
4
225
60.26
mp-1187071
-7.917033
-6.977737
4.963459
other
Sm1Eu1Zn2
4
225
98.76
mp-979287
-8.278633
-7.72998
4.508811
other
Tb1Lu1Hg2
4
225
98.21
mp-542728
-7.397801
0.338923
3.462881
other
Co21B6Mo2
29
225
281.71