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-1207902
-8.329096
-0.332962
2.384519
other
V2Ni21B6
29
225
276.77
mp-971737
-6.924477
-0.994578
3.971192
other
V2Os1Ru1
4
225
54.53
mp-1111291
9.36857
1.093729
1.190799
other
Li3Al1F6
10
225
100.03
mp-862588
-8.338274
-6.447524
6.876994
original
Li1Dy2Tc1
4
225
84.72
mp-864768
-8.195728
-2.437521
3.690856
other
Li1Sn1Ir2
4
225
58.75
mp-1184233
-8.367202
-6.956843
3.685136
other
Er1Mg1Ag2
4
225
82
mp-1194187
-7.738006
0.356932
3.633274
other
Mn2Co21B6
29
225
280.16
mp-861616
-8.302844
-4.373569
4.898308
other
Li1Sc2Ir1
4
225
69.51
mp-865669
-5.983553
-1.317626
4.096983
other
Ti1Si1Tc2
4
225
55.02
mp-1185195
-7.760733
-6.676805
5.043941
other
La2In1Ag1
4
225
119.34
mp-984335
-8.119089
-6.648269
5.779112
other
Pm1Er1In2
4
225
107.4
mp-1185511
-7.438388
-3.493379
4.730664
other
Lu1Hf1Co2
4
225
65.88
mp-862432
-8.420673
-4.57667
4.946157
other
Sc2Ag1Ir1
4
225
72.17
mp-1184229
-7.882965
-1.900302
3.753063
other
Ga2Co1Ir1
4
225
53.27
mp-863722
-8.90467
-5.810163
6.261454
other
Pm2Ir1Rh1
4
225
85.84
mp-866183
-6.2054
-2.002381
4.20746
other
Ti2Zn1Re1
4
225
60.57
mp-867267
-8.431898
-6.066892
6.222543
other
Li1Ho2Pt1
4
225
86.03
mp-862548
-7.850088
-5.247165
5.238193
other
Sc2Al1Zn1
4
225
76.01
mp-867776
-8.460644
-6.427873
6.869212
other
Li1Dy2Os1
4
225
81.71
mp-22731
-7.897604
-1.396939
2.622433
other
Mn1In1Ni2
4
225
55.35
mp-864972
-8.477257
-5.467514
2.423027
other
Mg2Pd1Au1
4
225
65.92
mp-1184448
-7.717103
-7.28678
5.766953
original
Gd2Tl1Hg1
4
225
107.45
mp-972327
-6.881812
-2.682438
4.408151
other
Zr2Co1Os1
4
225
68.7
mp-608555
1.483645
2.640191
-5.843298
other
Cs2Sn1Cl6
9
225
288.84
mp-1186359
-8.008617
-6.569524
5.727408
other
Nd1Dy1In2
4
225
110.09
mp-1193129
-8.802484
-0.522369
2.45083
other
Lu2Ni21B6
29
225
298.95
mp-1184422
-8.71463
-6.284433
6.697674
other
Gd2Cu1Ru1
4
225
82.02
mp-1194154
-7.907018
-3.251446
5.238556
other
Sc6Al16Rh7
29
225
475.67
mp-983427
-8.052872
-7.938409
4.640443
other
Pm1Dy1Hg2
4
225
105.11
mp-1207216
2.602617
3.002945
-4.200902
other
Os1N2Cl6
9
225
233.86
mp-30817
-8.127749
-4.562127
4.18688
other
Li1Al2Pd1
4
225
55.47
mp-1183560
-7.917044
-6.97434
4.061439
other
Ca1Sm1Ag2
4
225
99.26
mp-1111701
-0.423232
1.228044
-4.323764
other
Na3Sb1Br6
10
225
362.35
mp-1187723
-8.922668
-6.335279
4.707551
other
Y2Cu1Au1
4
225
89.38
mp-981539
-7.441631
-3.527203
4.154197
other
Hf2Ir1Pd1
4
225
71.99
mp-1206660
-0.313616
1.053987
-4.480253
other
Rb3La1Br6
10
225
478.59
mp-1183581
-8.029757
-8.134652
3.953552
other
Ca1Tm1Hg2
4
225
99.82
mp-1183392
-4.901741
-7.491657
3.628654
other
Ba1Sr2Eu1
4
225
220.08
mp-866116
-7.06245
-2.051689
4.350499
other
Ho1Ta1Ru2
4
225
68.46
mp-1187470
-6.187633
-1.213891
4.094913
other
Ti1Cr1Tc2
4
225
55.13
mp-1205761
-0.747975
1.202165
-4.443079
other
K2Pd1Br6
9
225
274.23
mp-1187877
-5.557452
-5.763335
1.087566
other
Yb2Ag1Sb1
4
225
105.46
mp-1183697
-8.305819
-3.097953
3.037418
other
Cd1Rh2Pb1
4
225
71.91
mp-864805
-8.824454
-6.049448
6.449886
other
Nd2Cu1Ir1
4
225
89.93
mp-862715
-7.4479
-1.932258
4.306987
other
Al2Pd1Ru1
4
225
54.11
mp-864620
-7.769513
-7.075648
4.867249
other
Ca1Sm1Cd2
4
225
109.7
mp-972984
-7.594026
-5.566495
6.551964
other
Ho1Er1Al2
4
225
90.99
mp-973109
-9.047183
-5.573112
6.322134
other
Nd1Y1Ir2
4
225
85.53
mp-1186325
-8.468825
-6.825385
5.409586
other
Nd1Tm1Zn2
4
225
92.29
mp-1206106
8.061939
0.714525
1.617558
other
Rb3Nd1F6
10
225
243.64
mp-865530
-8.201826
-3.852077
5.741886
other
Y1Th1Ru2
4
225
83.76
mp-1110878
1.151474
2.180554
-5.766752
other
K3Sm1Cl6
10
225
365.74
mp-977369
-8.244706
-7.935559
3.476571
other
Ho1Mg1Hg2
4
225
89.09
mp-5033
8.850704
1.494282
1.105429
other
Tl2Si1F6
9
225
147.72
mp-865320
-9.062038
-5.769336
6.436998
other
Lu2Pd1Ru1
4
225
75.21
mp-4828
-7.913989
-2.419653
2.867204
other
Hf1Ni2Sn1
4
225
61.69
mp-865261
-8.822844
-6.080972
6.602262
other
Lu2Zn1Os1
4
225
76.7
mp-1112962
-1.246056
2.885439
-2.675047
other
Cs3Y1I6
10
225
593.17
mp-973430
-8.713129
-6.327932
4.968823
other
Lu1Sc1Zn2
4
225
80.49
mp-631516
-5.197401
-6.102172
1.344755
other
Be2Hg1Te1
4
225
74.48
mp-1185386
-7.087995
-7.438341
4.750359
other
Li1Gd1Tl2
4
225
99.57
mp-1185623
-7.597167
-2.220904
4.668978
other
Mg1U1Ru2
4
225
68.07
mp-1206634
-8.476497
-5.321632
2.96353
other
Ho1Pd2Pb1
4
225
79.18
mp-1113997
1.229066
2.382793
-5.928716
other
Rb3Lu1Cl6
10
225
368.84
mp-865432
-8.824024
-5.811631
6.407908
other
Y2Ni1Ir1
4
225
80.07
mp-1187920
-8.082029
-2.406988
3.34241
other
Zn1Ge1Rh2
4
225
54.01
mp-559633
7.349057
10.818193
-1.007733
other
Cu6Pb1O8
15
225
196.71
mp-1184839
-8.553079
-2.939011
3.854498
original
Ho1In1Rh2
4
225
73.13
mp-865756
-8.319283
-4.907391
2.918576
other
Yb1Ga1Pd2
4
225
69.92
mp-27315
8.600404
1.382472
1.065537
other
Ca1Ti1F6
8
225
140.47
mp-1184534
-8.106493
-6.865137
5.495439
other
Gd1Lu1Cd2
4
225
102.64
mp-1186596
-8.520022
-6.356639
5.361428
other
Pm1Gd1Cu2
4
225
86.96
mp-1186697
-7.638447
-7.081314
5.746778
other
Pr2Tl1In1
4
225
119.51
mp-861726
-7.025065
-4.457097
1.887265
other
Pu1Bi1Pd2
4
225
83.04
mp-867926
-8.339291
-4.90626
2.367099
other
Li1In1Pd2
4
225
62.41
mp-978555
-8.638214
-6.347177
6.636845
other
Sm2Cd1Ir1
4
225
96.44
mp-723017
1.634769
2.402884
-3.439494
other
Se1Br6N2
9
225
272.34
mp-865739
-7.963902
-6.859639
2.797613
other
Yb1Cd1Ag2
4
225
86.55
mp-1207191
-6.261488
-4.990317
1.367138
other
Ti1Cu2Sb1
4
225
64.24
mp-864839
-8.666749
-4.104941
2.642996
other
Zn2Pd1Rh1
4
225
54.4
mp-1211670
8.274813
1.576384
0.909711
other
K2Bi6F20
28
225
425.2
mp-1112368
-0.460912
1.262936
-4.736089
other
Cs3Ga1Br6
10
225
426.29
mp-867270
-6.608176
-1.137203
3.915778
other
Be2Co1Pt1
4
225
39.76
mp-1208943
-7.616712
-1.338321
4.019933
other
Sc1Co2Ge1
4
225
53.1
mp-30340
-8.49404
-7.05924
3.473468
other
Er1In1Ag2
4
225
82.11
mp-1206798
-5.722537
-6.784297
3.809196
other
Li1Ca2Ge1
4
225
98.3
mp-982724
-7.638741
-7.357406
5.59344
other
Ho1Tm1Tl2
4
225
104.47
mp-1184283
-8.524501
-6.354229
2.670856
other
Eu1Ga1Au2
4
225
88.97
mp-1186342
-6.157555
-1.91716
4.587002
other
Np1Sc1Tc2
4
225
71.4
mp-865561
-8.76437
-6.334611
6.725027
other
Y2Ag1Ru1
4
225
85.58
mp-980055
-7.929388
-9.113605
7.014004
other
Y1Er1Mg2
4
225
108.49
mp-1187423
-5.933547
-1.955502
4.094633
other
Ti2Be1Tc1
4
225
56.38
mp-1185391
-7.356546
-6.541307
6.612712
other
Li1Pr2Al1
4
225
108.8
mp-865179
-6.753761
-2.49369
4.506908
other
Hf2Fe1Os1
4
225
64.94
mp-982730
-9.006896
-5.980529
6.515997
other
Ho2Zn1Ir1
4
225
84.4
mp-574025
-8.83254
-6.222037
2.753344
other
Hf1In1Au2
4
225
78.6
mp-974065
-8.817478
-5.391192
4.209671
other
Lu1Sc1Pd2
4
225
75.61
mp-862680
-8.394084
-6.931018
3.651654
other
Dy1Mg1Ag2
4
225
83.56
mp-973910
-8.912636
-4.924656
4.361165
other
Pa1Al1Cu2
4
225
67.66
mp-867289
-8.418626
-6.295499
6.770173
other
Li1Ho2Tc1
4
225
83.86