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-977187
-7.321434
-6.806703
5.511366
other
La2Mg1Tl1
4
225
125.03
mp-861951
-8.084982
-2.561973
3.862629
other
Li1Ta1Rh2
4
225
56.59
mp-16358
-7.858946
-1.793337
2.634312
other
Zn1Ni2Ge1
4
225
49.05
mp-863660
-8.755851
-6.202391
6.389202
other
Pm2Co1Ir1
4
225
85.85
mp-865463
-8.765666
-6.145712
6.739002
other
Lu2Al1Os1
4
225
78.65
mp-865200
-6.853878
-1.169225
4.369192
other
Mn1Ga2Tc1
4
225
54.3
mp-979422
-8.930251
-6.326234
2.799215
other
Y1Ga1Au2
4
225
81.49
mp-1208129
-7.296256
0.82441
3.977747
other
U2Fe21B6
29
225
308.02
mp-1185100
-8.02842
-6.962992
4.758033
other
La2Ag1Hg1
4
225
114.9
mp-1186205
-5.913346
-1.731276
3.739852
original
Nb2Mo1Os1
4
225
65.96
mp-865579
-6.879499
-6.913026
4.628718
other
Li2Er1In1
4
225
77.33
mp-985450
-6.836008
-7.163013
4.477761
other
Ca1Ac1In2
4
225
127.89
mp-20864
-7.701924
-1.814649
2.755939
other
V1Ni2Sn1
4
225
54.93
mp-1187631
-8.431098
-6.057463
5.899249
other
Tm2Ga1Cu1
4
225
83.5
mp-1183041
-7.734147
-1.499027
3.973559
other
Zr1Zn1Co2
4
225
53.53
mp-862887
-8.201669
-4.658776
5.184687
other
Li1Sc2Os1
4
225
69.26
mp-1186627
-7.997759
-7.900546
4.650787
other
Pm1Pr1Hg2
4
225
111.03
mp-1112647
-0.39167
1.366041
-4.749813
other
Cs3Tl1Br6
10
225
473.24
mp-1183151
-9.294
-4.417421
3.977115
other
Al1Zn1Cu2
4
225
52.04
mp-1210990
-7.651636
-4.224701
1.340535
other
Lu3P6Pd20
29
225
446.74
mp-1186206
-6.002806
-1.744668
3.824063
other
Nb2Mo1Ru1
4
225
65.51
mp-865467
-8.087658
-6.680346
5.709215
other
Pm2Sn1Au1
4
225
107.19
mp-1184221
-8.060252
-2.462288
3.239913
other
Fe1Sn1Rh2
4
225
62.09
mp-696965
8.016046
0.636365
1.728052
other
Cs3Tb1F6
10
225
245.71
mp-863651
-8.123577
-6.606284
5.838322
other
Ho2Cd1In1
4
225
102.36
mp-867145
-7.924479
-6.338972
6.396308
other
Li1Ho2Ga1
4
225
92.43
mp-862874
-8.186283
-8.056217
3.078201
other
Pm1Ag1Hg2
4
225
91.34
mp-862543
-8.122309
-4.580768
5.281658
other
Sc2Al1Tc1
4
225
72.19
mp-1205742
8.937689
1.077616
1.155167
other
Tl3Cr1F6
10
225
181.04
mp-866110
-8.844137
-5.574717
6.557915
other
Ho2Os1Ru1
4
225
76.57
mp-977558
-7.818452
-2.051967
5.008866
other
Mg1Pa1Ru2
4
225
69.97
mp-1222891
-3.53844
1.840899
2.988997
other
La1Eu1B12
14
225
143.27
mp-861497
-8.675928
-6.10328
6.460365
other
Pr2Ag1Ir1
4
225
98.13
mp-1185346
-8.159822
-6.320336
4.963327
other
Li1Ce1Zn2
4
225
80.35
mp-1187916
-8.505533
-4.635746
2.295466
other
Zn1In1Pd2
4
225
63.33
mp-865709
-7.195766
-7.337424
4.813312
other
Li1Pr1Tl2
4
225
104.15
mp-980665
-9.232337
-3.952678
3.39534
other
Zn2Cu1Ir1
4
225
52.71
mp-862667
-6.701459
-7.313843
4.905905
other
Li1Ac2Ge1
4
225
121.24
mp-865878
-6.393384
-1.592547
4.069727
other
Ti2Tc1Ni1
4
225
56.22
mp-861874
-8.200689
-8.195055
3.504639
original
Li1Ho1Hg2
4
225
86.27
mp-867196
-7.891155
-6.422687
2.641691
other
Li1Cd2Pd1
4
225
68.55
mp-570899
-8.068712
-3.474751
3.037197
other
Yb1Ni2Sn1
4
225
64.63
mp-972639
-9.137965
-5.540215
6.315906
other
Sm1Dy1Ir2
4
225
83.52
mp-866608
-7.326083
-7.129434
5.96902
other
Gd2Tl1Cd1
4
225
137.06
mp-1187353
-7.151794
-2.195663
4.352737
other
Tb1Nb1Ru2
4
225
71.07
mp-865749
-8.680266
-4.329085
4.796155
other
Yb1Er1Rh2
4
225
76.2
mp-1184603
-8.695116
-6.237772
6.607559
other
Ho2Ga1Os1
4
225
83.22
mp-30551
-7.583548
-0.396401
3.376869
other
Ga1Fe1Co2
4
225
45.51
mp-865659
-8.808495
-6.227979
6.567392
other
Y2Zn1Ir1
4
225
83.9
mp-862369
-8.309583
-4.214541
4.837088
other
Sc2Ir1Ru1
4
225
65.91
mp-1185958
-8.151289
-3.960635
3.345112
other
Mg1Sc1Pt2
4
225
66.83
mp-1184235
-8.588492
-5.177157
3.426613
other
Er1Mg1Pd2
4
225
73.81
mp-981234
-6.881123
-6.52616
3.468879
other
Yb2In1Sn1
4
225
111.69
mp-1100770
-8.50814
-3.075599
3.854936
other
Th1In1Rh2
4
225
79.43
mp-1206608
1.632386
2.719674
-5.340719
other
K2V1Cl6
9
225
229.2
mp-864973
-8.069906
-6.681829
5.871524
other
Dy2Cd1In1
4
225
103.75
mp-1183814
-8.800763
-6.533118
2.772858
other
Ce1Pb1Au2
4
225
95.22
mp-21666
-7.220208
0.685388
3.763891
other
Nb3Fe20B6
29
225
308
mp-865004
-8.598246
-6.393894
6.72778
other
Dy2Zn1Os1
4
225
83.82
mp-1112370
1.242027
2.470912
-6.052452
other
Cs3Ce1Cl6
10
225
430.13
mp-867880
-7.396669
-6.876505
5.470922
other
La2Tl1Cd1
4
225
123.7
mp-1183377
-7.038579
-7.446782
4.933598
other
Ac2In1Ga1
4
225
130.64
mp-28692
8.806417
0.49959
0.218499
other
Cs2Cu1F6
9
225
172.69
mp-867353
-9.131573
-6.448157
2.728776
original
Th1Cd1Au2
4
225
90.17
mp-1187349
-8.868088
-6.615483
5.068326
other
Tb1Mg1Zn2
4
225
78.21
mp-979986
-5.070683
-7.515561
4.041263
other
Ba1Ca1Yb2
4
225
181.31
mp-1113233
1.400534
2.707913
-6.009023
other
Cs3Al1Cl6
10
225
355.73
mp-867220
-8.758851
-6.164987
6.644209
other
Li1Tm2Ir1
4
225
79.07
mp-867868
-8.841469
-6.06213
6.458605
other
Sm2Ag1Ir1
4
225
92.91
mp-1185826
-8.547966
-5.863448
2.528166
other
Mg1Al1Au2
4
225
66.72
mp-867372
-8.334763
-6.895907
3.399542
other
Th1Cd1Ag2
4
225
90.32
mp-865573
-6.733546
-7.210315
4.538242
other
Li2Er1Tl1
4
225
79.46
mp-862316
-8.012233
-2.639591
2.963289
other
Li1Be1Pt2
4
225
46.64
mp-1114104
-0.385456
1.111015
-4.475327
other
Rb3Y1Br6
10
225
444.2
mp-1184790
-8.815809
-5.300384
6.523086
other
Gd1Er1Ru2
4
225
77.28
mp-21469
-7.230293
-1.228449
3.071357
other
V1Co2Sn1
4
225
54.5
mp-974253
-8.558903
-6.827122
5.312886
other
Ho1Er1Zn2
4
225
87.46
mp-862972
-8.688046
-6.197062
2.546607
original
Ac1Ag1Au2
4
225
97.54
mp-1208058
8.31144
1.620319
0.933434
other
Tl2Bi6F20
28
225
431.86
mp-865517
-8.590357
-3.06641
3.883858
other
Y1Zn1Rh2
4
225
68.28
mp-1183466
-7.753861
-5.837806
3.425916
other
Ca2Pt1Au1
4
225
91.22
mp-1185407
-8.885923
-6.39673
2.890008
other
Li1Pr1Au2
4
225
87.88
mp-1224119
-8.577872
-0.452205
2.315452
other
In1Ni22B6
29
225
291.77
mp-28084
-0.73494
1.249749
-4.515173
other
Rb2Pd1Br6
9
225
287.83
mp-862916
-9.08123
-5.075321
4.222787
other
Pm1In1Cu2
4
225
75.14
mp-865316
-7.517629
-7.196632
5.839037
other
Gd2Mg1Tl1
4
225
110.02
mp-1110844
8.702669
1.799893
1.55433
other
K3Ta1F6
10
225
196.16
mp-866105
-6.317235
-7.284464
3.171314
other
Ca2Hg1Pb1
4
225
114.62
mp-1210184
1.272305
1.983125
-5.478586
other
Na6Mg1Cl8
15
225
344.97
mp-861876
-6.130854
-7.587038
5.408769
other
Li1Ac2Si1
4
225
118.53
mp-1187751
-8.872193
-5.813908
6.213546
other
Y2Pd1Rh1
4
225
82.68
mp-865448
-7.49058
-1.639288
4.356715
other
Ti1Ga1Ru2
4
225
55.81
mp-865904
-7.496646
-2.035486
4.267161
other
Be1Si1Ir2
4
225
47.52
mp-1186253
-7.670808
-6.843776
6.498077
other
Nd2Mg1Cd1
4
225
115.03
mp-5529
-6.897487
-0.3039
3.57797
other
Mn1Fe2Si1
4
225
42.66
mp-863716
-8.847035
-6.239936
6.336892
other
Pm2Ir1Pd1
4
225
88.35
mp-976082
-6.48739
-0.72136
3.770375
other
Mn2Ga1W1
4
225
50.41
mp-1205495
9.429404
10.898685
1.39811
other
Ba3Mo1O6
10
225
180.91
mp-867266
-6.047863
-7.378755
3.216597
other
Ca1Mg1Tl2
4
225
103.75
mp-1186768
-6.372653
-1.485689
4.02318
other
Ta2Fe1Ru1
4
225
61.68