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-1111280
9.407232
1.826393
1.677945
other
Li3Ti1F6
10
225
120.66
mp-862788
-8.147133
-6.513081
5.705696
other
Er2Zn1In1
4
225
94.74
mp-862956
-8.7589
-6.179886
2.679188
other
Pm1Sn1Au2
4
225
89.19
mp-1186479
-7.488706
-6.721213
6.206385
other
Pm2Si1Pt1
4
225
93.89
mp-975932
-7.988203
-6.508575
5.695546
other
Pr1Lu1In2
4
225
108.69
mp-980068
-8.544342
-5.601927
3.691326
other
Yb1Sm1Pd2
4
225
88.22
mp-1211650
8.071831
0.768242
1.650753
other
K3Dy1F6
10
225
208.49
mp-865230
-8.681787
-3.184359
4.018034
other
Tm1Mg1Rh2
4
225
67.31
mp-1184339
-6.405915
-6.89862
3.67845
other
Eu2Zn1Rh1
4
225
94.12
mp-1111501
8.485699
1.341442
0.908754
other
K3As1F6
10
225
192.63
mp-1194115
-8.076875
-2.437714
5.362932
other
Ti6Ga16Ru7
29
225
459.86
mp-972861
-8.136005
-5.307187
5.487681
other
Sc2Tl1Tc1
4
225
77.93
mp-1078594
1.58491
2.398881
-3.448287
other
Pt1I6N2
9
225
342.9
mp-867774
-6.175508
-1.868895
3.996866
other
Ta2Cr1Os1
4
225
61.56
mp-1184971
-8.324091
-7.537811
3.322967
other
La1Ag2Hg1
4
225
95.46
mp-1185262
-8.474704
-4.931139
2.226044
other
Li1Pd2Au1
4
225
63.25
mp-1187965
-6.666542
-6.992497
3.841579
other
Yb2Tl1In1
4
225
115.38
mp-5149
-7.057257
-1.132377
3.597012
other
Nb1Al1Co2
4
225
52.6
mp-861940
-6.128975
-6.902354
3.312036
other
Ca2Cd1Sn1
4
225
111.98
mp-1187463
-5.38878
-1.485036
4.306912
other
Ti1Be2Pt1
4
225
46.56
mp-1113822
8.172342
0.821003
1.76442
other
Rb3Sc1F6
10
225
197.78
mp-1187193
-7.627862
-7.577107
3.642049
other
Sr1Ce1Hg2
4
225
116.87
mp-864772
-8.29374
-5.444786
4.742075
other
Li1Sc2Au1
4
225
76.61
mp-1211289
6.008091
0.566106
-3.293522
other
Li2B6H6
14
225
127.78
mp-865547
-6.764568
-7.122224
6.151419
other
Pm2Cu1Si1
4
225
91.48
mp-864629
-7.649489
-7.362144
5.78276
other
Pm2Tl1Cd1
4
225
113.2
mp-866106
-5.706422
-7.13273
2.992849
other
Ba2Hg1Pb1
4
225
154.65
mp-862710
-8.080607
-4.65689
5.16222
other
Sc2Cd1Tc1
4
225
75.82
mp-867257
-7.706248
-7.016641
4.766725
other
Ca1Pr1Cd2
4
225
113.61
mp-984627
-8.294866
-7.093896
5.481656
other
Dy2Zn1Hg1
4
225
98.09
mp-557324
8.796503
0.459849
0.645118
other
Cs2Cr1F6
9
225
192.26
mp-866159
-7.662119
-2.672703
5.030991
other
Y1Zr1Ru2
4
225
73.3
mp-1187520
-8.199876
-6.749679
3.944285
other
Yb1Sm1Ag2
4
225
98.99
mp-861995
-8.034409
-2.296938
3.069918
other
Pa1Ni2Sn1
4
225
68.85
mp-1186944
-8.2764
-4.07891
4.765797
other
Sc2Co1Rh1
4
225
64.84
mp-975892
-8.324389
-6.78462
3.635543
other
Pr1Mg1Ag2
4
225
91.36
mp-1184161
-8.184107
-8.189969
3.412396
other
Er1Cd1Hg2
4
225
89.5
mp-862758
-8.082299
-8.034902
3.489601
other
Pr1Mg1Hg2
4
225
98.18
mp-865986
-5.994172
-6.635738
3.79189
other
Li2Ca1Ge1
4
225
70.86
mp-10686
-6.514832
-6.989248
3.115125
other
Li2Cd1Ge1
4
225
67.14
mp-541853
-7.943106
0.310016
3.798246
other
U2Co21B6
29
225
294.08
mp-22685
-9.128022
-4.982655
4.295813
other
Tb1In1Cu2
4
225
71.73
mp-862877
-7.986336
-6.70532
2.814193
other
Pm1Ag2Sn1
4
225
88.38
mp-1017516
-2.879043
-3.666979
0.91711
other
Mg1Si1P2
4
225
64.35
mp-865811
-8.161476
-6.710034
3.941803
other
La1Yb1Ag2
4
225
105.48
mp-865459
-9.105825
-6.031372
6.650553
other
Lu2Ag1Ru1
4
225
78.95
mp-865514
-8.783058
-6.269482
2.760231
other
Y1Sn1Au2
4
225
85.57
mp-1185537
-5.504334
-4.376721
-1.947091
other
Cs2Hg1Te1
4
225
182.94
mp-1205847
-0.68775
1.343352
-4.696865
other
Cs2Pd1Br6
9
225
311.12
mp-865968
-8.256715
-6.586886
3.713551
other
Ce1Al1Ag2
4
225
85.64
mp-977574
-6.629752
-4.354553
0.600641
other
Ho1Sb1Pd2
4
225
78.74
mp-862613
-6.862155
-7.61936
5.128575
other
Li1Ac2Ga1
4
225
124.64
mp-1187958
-6.868219
-6.570077
3.653758
other
Yb2Zn1Sn1
4
225
104.78
mp-864917
-8.833865
-6.063343
6.750523
other
Dy2Ni1Ru1
4
225
76.42
mp-865256
-8.886865
-6.50807
5.079618
other
Lu1Mg1Zn2
4
225
74.2
mp-865785
-8.288074
-3.711204
4.410186
other
Yb1Hf1Ir2
4
225
71.85
mp-34047
10.535507
11.14776
-3.121537
other
H1W2O6
9
225
115.67
mp-689925
9.016781
0.428139
0.09868
other
Cs2Ni1F6
9
225
173.85
mp-974943
-6.090242
-1.918325
4.218573
other
Hf1Zr1Tc2
4
225
69.43
mp-1184403
-7.621106
-6.600274
6.449572
other
Gd2Al1Cd1
4
225
101.78
mp-16501
-8.566438
-4.622509
2.922536
other
Hf1Al1Pd2
4
225
64.88
mp-505781
-8.362111
-3.763435
2.072759
other
Mn1Ge1Pd2
4
225
60.23
mp-1025456
8.32153
1.297292
1.224043
other
Ca1Zr1F6
8
225
155.53
mp-1183165
-8.51199
-4.223434
3.641667
other
Al2Cu1Pd1
4
225
54.33
mp-978537
-8.540866
-6.931143
5.382545
other
Sm1Ho1Zn2
4
225
91.52
mp-864644
-7.810982
-7.93753
3.061495
other
Ac1Cd1Hg2
4
225
108.9
mp-631694
-3.816186
-4.946126
5.947386
other
In1Co1Si2
4
225
63.5
mp-19877
-7.834293
-2.459139
2.802932
other
Zr1Ni2Sn1
4
225
63.06
mp-865444
-8.040816
-4.640499
4.634472
other
Li1Sc2Pt1
4
225
71.5
mp-1120715
-0.515994
1.170071
-4.258377
other
Ag3Bi1Br6
10
225
349.33
mp-862725
-5.914407
-1.077029
4.108771
other
Sc1Tc2W1
4
225
62.73
mp-541854
-7.853771
0.342209
3.744165
other
Zr2Co21B6
29
225
297.44
mp-1113630
9.008224
0.271413
0.594366
other
Rb3Co1F6
10
225
174.19
mp-31363
1.331854
2.355542
-5.014544
other
K2Ta1Cl6
9
225
240.8
mp-571126
-8.174694
-2.014188
3.755413
other
Ti2B1Rh6
9
225
120.64
mp-973734
-8.157005
-6.791664
5.792248
other
Lu2In1Hg1
4
225
97.28
mp-864933
-7.914602
-5.43156
3.118546
other
Mg2Ag1Rh1
4
225
64.27
mp-862735
-8.056475
-6.67281
2.951973
other
Sm1Ag2Sn1
4
225
90.07
mp-3576
-7.694332
-1.561409
3.840829
other
Hf1Ga1Co2
4
225
53.38
mp-867326
-7.687577
-2.028765
4.188185
other
Al2Ru1Rh1
4
225
52.7
mp-865221
-9.058305
-5.842709
6.357173
other
Dy2Ir1Pd1
4
225
81.35
mp-1238793
-0.594758
0.913346
-4.399172
other
Cs2Hf1Br6
9
225
329.57
mp-1113477
9.260541
0.61446
0.111361
other
Na3Ni1F6
10
225
124.84
mp-570990
1.539912
2.940075
-5.399838
other
Cs2Mo1Cl6
9
225
277.15
mp-977392
-8.053762
-6.576685
6.043591
original
Ho2Mg1In1
4
225
103.25
mp-861902
-6.432751
-7.292752
3.15081
other
Eu1Tl2Cd1
4
225
109.33
mp-636698
-5.691667
-4.719656
4.144279
other
Y1Hf2Pb1
4
225
102.02
mp-865216
-9.029072
-6.009689
6.608773
other
Dy2Pd1Ru1
4
225
80.51
mp-1187698
-7.461349
-0.838273
3.408883
other
V1Zn1Co2
4
225
46.05
mp-1184159
-7.748161
-2.719195
5.06946
other
Er1Hf1Ru2
4
225
70.5
mp-861877
-8.281161
-2.764556
3.082988
other
Cd1Sn1Rh2
4
225
65.72
mp-865210
-8.007146
-9.076818
6.984538
other
Tm1Lu1Mg2
4
225
103.5
mp-865219
-9.112757
-5.831416
6.582991
other
Dy2Ir1Ru1
4
225
77.88
mp-865151
-8.52777
-4.49199
4.885806
other
Yb1Nd1Rh2
4
225
81.74
mp-1185961
-8.883843
-6.09472
4.867675
other
Mg1Sc1Zn2
4
225
69.93
mp-1185314
-7.958164
-6.551004
2.981134
other
Li1Cd2Cu1
4
225
65.11
mp-1110575
8.708348
0.984577
1.312262
other
Li3Y1F6
10
225
142.7
mp-1080110
8.041911
2.357738
-1.219818
other
Ti1N3F6
10
225
126.38
mp-1187430
-7.155456
-1.902488
4.314023
other
Ti2Ir1Ru1
4
225
59.64
mp-972640
-8.481195
-6.926661
5.437786
other
Sm1Dy1Zn2
4
225
92.07