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-1185980
-7.466769
-1.857934
3.91624
other
Mg1Sn1Ru2
4
225
62.28
mp-867850
-8.509632
-2.312503
3.705234
other
Sc1Mn1Rh2
4
225
61.16
mp-2210713
12.086321
10.561193
0.869508
other
Mg1Cr1O2
4
225
39.9
mp-865545
-7.222036
-6.930779
6.223526
other
Pm2Si1Au1
4
225
97.54
mp-862774
-8.204347
-3.683239
2.871895
other
Li1In1Pt2
4
225
62.11
mp-863665
-8.76528
-6.264491
6.285481
other
Pm2Cu1Ir1
4
225
86.94
mp-866082
-8.065382
-4.582587
5.23059
other
Mg1Sc2Tc1
4
225
76.07
mp-504778
8.883944
2.330985
0.550173
other
Na1Mo1F6
8
225
141.34
mp-1112350
1.323886
2.588283
-6.151787
other
Cs3Sc1Cl6
10
225
386.69
mp-867254
-9.038506
-6.468988
2.721564
other
Sm1Ag1Au2
4
225
84.26
mp-1187018
-8.643838
-6.224729
6.908469
other
Sm2Ni1Ru1
4
225
83.98
mp-13915
-7.874046
-2.230738
2.352976
other
Li1Ni2Sn1
4
225
52.43
mp-1185413
-7.582443
-6.967096
6.599693
other
Li1Pm2Co1
4
225
86.93
mp-1187026
-8.196275
-7.769749
4.533772
other
Sm1Y1Hg2
4
225
104.79
mp-1205668
9.085773
11.241134
1.109432
other
Sr3Mo1O6
10
225
158.49
mp-1208981
-8.177399
-4.427035
2.201526
other
Sm3Si6Pd20
29
225
462.9
mp-1207415
-5.566442
-1.253095
4.355851
other
Zr6Be15Co8
29
225
330.7
mp-1187327
-8.305758
-7.68831
4.552445
other
Tb1Dy1Hg2
4
225
101.39
mp-972961
-8.195153
-4.108074
4.711968
other
Sc2Ni1Rh1
4
225
66.24
mp-975886
-8.294581
-6.95361
5.401741
other
Pr1Sm1Zn2
4
225
97.81
mp-1183038
-8.059966
-2.530115
4.108838
other
Zr1Zn1Ir2
4
225
62.79
mp-866283
-8.638802
-5.054523
5.449586
other
Ca1Ho1Rh2
4
225
77.37
mp-1187445
-5.943627
-1.77297
4.424692
other
Th1Pa1Tc2
4
225
86.48
mp-971924
-8.463492
-6.859874
4.647062
other
Dy1Y1Ag2
4
225
94.52
mp-1213204
-7.762747
-4.253276
1.395697
other
Dy3P6Pd20
29
225
452.43
mp-862321
-6.923614
-4.210618
1.124994
other
Li1As1Pd2
4
225
56.57
mp-864786
-8.069718
-4.85902
3.476642
other
Yb2Pd1Pt1
4
225
81.22
mp-1112654
-1.267414
3.12554
-2.996612
other
Cs3Al1I6
10
225
523.41
mp-1183555
-7.926988
-6.944098
4.076705
other
Ca1Nd1Ag2
4
225
101.6
mp-1184980
-6.560485
-6.253735
4.577229
other
Li2Ce1Ga1
4
225
76.05
mp-865026
-6.272419
-0.799449
3.582155
other
Mn2V1Si1
4
225
44.71
mp-1183179
-7.686093
-8.812574
6.57799
other
Ac1Nd1Mg2
4
225
128.19
mp-972626
-9.002918
-6.347534
2.797581
other
Sm1Ga1Au2
4
225
82.08
mp-861627
-5.858079
-2.179073
4.165292
other
Ti2Al1Mo1
4
225
63.65
mp-1187876
-8.474072
-2.936479
3.458172
other
Y1Rh2Pb1
4
225
75.44
mp-862933
-8.899329
-6.14442
2.808927
other
Pm1Mg1Au2
4
225
86.22
mp-979435
-7.991808
-8.982136
6.565712
other
Y1Mg2Sc1
4
225
101.2
mp-982559
-9.068645
-6.325413
2.858615
other
Ho1Al1Au2
4
225
79.1
mp-1193281
-8.145896
-3.277648
5.025275
other
Sc6Ga16Ir7
29
225
472.15
mp-1184999
-8.968991
-6.289753
2.843235
other
La1Mg1Au2
4
225
91.83
mp-631532
-4.700637
-6.363558
2.917989
other
Ba1Be2Te1
4
225
95.31
mp-865169
-8.698314
-4.981618
5.451659
other
Ca1Er1Rh2
4
225
76.78
mp-862745
-5.443201
-6.87471
3.407342
other
Sr2Li1Pt1
4
225
110.73
mp-5778
-6.975472
-0.148124
3.745675
other
Al1V1Fe2
4
225
45.26
mp-867299
-6.499834
-6.866674
3.34097
other
Eu2Hg1Ge1
4
225
111.55
mp-1110845
8.217488
1.211447
1.096001
other
K3Sb1F6
10
225
211.81
mp-1184847
-9.102872
-5.373302
6.085392
other
Ho1Lu1Ir2
4
225
75.89
mp-1187890
-6.898758
-6.564117
4.067756
other
Yb2In1Ga1
4
225
105.31
mp-1183831
-8.966908
-5.377482
6.055843
other
Dy1Lu1Rh2
4
225
76.14
mp-1184352
-8.22761
-7.166621
5.346866
other
Gd2Ag1Hg1
4
225
100.74
mp-1185408
-8.362226
-6.77686
5.10935
other
Li1Pr1Zn2
4
225
82.35
mp-1185430
-9.487625
-4.839906
3.903764
other
Li1Zn1Cu2
4
225
48.73
mp-22610
-6.609061
-0.990748
3.579892
other
Mn2Sn1W1
4
225
56.78
mp-861892
-8.552561
-2.953859
3.940554
other
Dy1In1Rh2
4
225
71.59
mp-1185243
-5.872452
-7.1976
4.280199
other
Li1Yb2Al1
4
225
108.29
mp-1183118
-7.685152
-7.18438
4.782132
other
Ac1La1Cd2
4
225
128.27
mp-1188017
-6.079811
-1.695045
4.265769
other
Zr1Sc1Tc2
4
225
69.1
mp-1184201
1.546442
2.663604
-5.804282
other
Cs8Sb4Cl24
36
225
1,164.84
mp-865471
-6.056523
-1.016531
3.99283
other
V1Ga1Tc2
4
225
55.24
mp-1184846
-8.246778
-3.732903
5.732898
other
Ho1Th1Ru2
4
225
82.85
mp-1187039
-8.432947
-5.350585
2.890109
other
Sm1Pd2Pb1
4
225
84.84
mp-865017
-8.648464
-6.32487
6.790308
other
Dy2Zn1Ru1
4
225
82.08
mp-1113832
8.278891
0.541051
0.708606
other
Rb3Au1F6
10
225
218.11
mp-1184389
-7.722904
-7.584429
2.413148
other
Eu1Ag1Hg2
4
225
101.26
mp-1185986
-7.973069
-1.66711
3.609183
other
Mn1Be1Ir2
4
225
49.3
mp-1186611
-7.896076
-6.377139
6.008514
other
Pm1Nd1Ga2
4
225
98.98
mp-865730
-8.811347
-5.92395
2.708893
other
Ti1Zn1Au2
4
225
64.91
mp-1187800
-9.191877
-3.944134
3.188496
other
Zn2Cu1Rh1
4
225
51.88
mp-1110881
1.128759
2.154276
-5.747301
other
K3Pr1Cl6
10
225
375.81
mp-867269
-8.571337
-6.348958
6.914701
other
Li1Ho2Os1
4
225
80.61
mp-865630
-7.225469
-6.26084
3.613704
other
Yb2Ag1Ge1
4
225
93.39
mp-1113503
1.251805
2.041057
-5.476532
other
Na3Nd1Cl6
10
225
318.22
mp-1183421
-6.016663
-1.312613
4.031297
other
Be2Ni1Ru1
4
225
38.81
mp-1184408
-7.590113
-7.601794
2.587161
other
Eu1In1Hg2
4
225
101.77
mp-864600
-8.469317
-2.90172
3.426847
other
Tb1Sn1Rh2
4
225
72.53
mp-1186509
-8.514135
-6.670794
6.61024
other
Pm2Ga1Ru1
4
225
90.87
mp-22947
1.531206
2.58459
-5.126869
other
K2Re1Cl6
9
225
239.5
mp-1186613
-7.955826
-8.793774
6.810624
other
Pm1Lu1Mg2
4
225
109.37
mp-977586
-7.957833
-5.649597
5.152279
other
Mg1Sc2In1
4
225
89.76
mp-1183884
-6.01171
-7.231636
3.737748
other
Eu2Mg1Tl1
4
225
126.21
mp-20463
8.198307
1.230805
0.007936
other
Ca1Pb1F6
8
225
160.91
mp-1183072
-7.032172
-7.903605
4.942874
other
Ac2Tl1Cd1
4
225
138.27
mp-973276
-8.19897
-6.862505
5.236659
other
Ho1Lu1Cd2
4
225
98.93
mp-1186954
-8.262225
-4.285048
4.825901
other
Sc2Ir1Os1
4
225
66.21
mp-631277
-6.145633
-2.082494
4.149202
other
Sr1Cr1W2
4
225
70.29
mp-1147639
7.445258
10.582624
-0.820917
other
Cd1Cu6O8
15
225
198.6
mp-647205
-8.603547
-0.387501
2.463412
other
Sc2Ni21B6
29
225
286.67
mp-1185985
-6.082322
-1.210292
4.415163
other
Mn1Be2Ru1
4
225
42.38
mp-865979
-7.374443
-7.488391
4.399383
other
Ac1Mg1Cd2
4
225
110.98
mp-972971
-7.980543
-8.170244
3.370667
original
La1Tl1Hg2
4
225
107.13
mp-581707
-8.775206
-6.239399
2.803014
other
Zr1In1Au2
4
225
77.71
mp-865483
-6.76303
-6.977178
4.787539
other
Li2Gd1In1
4
225
81.41
mp-973442
-8.736856
-5.634649
5.542714
other
Lu2Ag1Pt1
4
225
82.01
mp-1205907
1.551644
2.329369
-3.569828
other
Ir1Br6N2
9
225
272.39
mp-867271
-6.366962
-1.085181
3.913862
other
Be2Co1Ni1
4
225
34.09
mp-866153
-8.146522
-2.450605
3.87852
other
Ti1Al1Rh2
4
225
56.23
mp-1184477
-8.421736
-7.152406
3.440685
other
Gd1Cd1Ag2
4
225
85.61
mp-862896
-8.723042
-3.180612
3.758835
other
Pm1Cd1Rh2
4
225
74.67
mp-864983
-7.21456
-1.035966
3.991667
other
Mn1V1Ru2
4
225
53.93
mp-3498
-8.106094
-2.230364
2.967491
other
Hf1Ga1Ni2
4
225
54.31