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-1219729
-3.551435
1.774621
2.979665
other
Pr1Sm1B12
14
123
140.46
mp-1094065
6.348487
11.331599
0.287752
other
Sr2Co2O5
9
123
116.32
mp-1223799
10.741967
8.876659
3.165798
other
Ho1Pa1O4
6
123
76.34
mp-1183257
12.261591
10.627355
0.833293
other
Al2Tc2O5
9
123
94.52
mp-1207257
-5.026067
-6.19674
0.65221
other
K2Cd1Sb2
5
123
199.58
mp-1206224
-5.328096
-4.537833
5.502999
other
Ho2Si3Pt3
8
123
161.11
mp-1216351
-8.172698
-1.379926
2.555686
other
V1Ga1Ni6
8
123
87.42
mp-1207133
-2.950704
-8.300194
1.336724
other
Sr2Bi3Pd3
8
123
980.85
mp-1206974
-5.130129
-4.206767
2.857422
other
U2P1Se2
5
123
111.22
mp-1078100
-7.631219
-4.313839
1.413483
original
Cd1P1Pd5
7
123
108.93
mp-726245
10.25609
11.417069
2.905824
other
La1Nb2O7
10
123
164.33
mp-1207047
-2.686139
-8.317796
1.396912
other
Tm2Ag1Sb3
6
123
3,203.39
mp-1224398
-8.816662
-4.738288
4.258497
other
Hf1In1Cu2
4
123
67.71
mp-1229003
-5.795897
-3.493243
-2.017182
other
Ag1Sb1Te2
4
123
105.13
mp-1216922
-9.005828
-4.771082
4.03061
other
Ti1In1Cu2
4
123
63.01
mp-1225262
-7.460342
-5.939406
3.44542
other
Dy1Ag1Sn2
4
123
93.34
mp-1212355
1.196127
1.698395
-3.676707
other
Ho2Cl2O1
5
123
208.69
mp-1025353
-7.873034
-3.129845
2.440019
other
Tl1As1Pt5
7
123
120.48
mp-1102011
2.858229
-0.436458
-1.774503
other
Ti4H6Pd2
12
123
109.44
mp-1206158
-5.3868
-4.64298
5.524987
other
Pr2Si3Pt3
8
123
169.09
mp-1226805
9.574904
9.119674
2.630654
other
Ce3Sn1O8
12
123
157.49
mp-1401956
6.123466
11.241445
-1.152943
other
Ba2Ni3O8
13
123
180.63
mp-1021383
-6.919935
-10.920066
6.449111
other
Rb1Mg6Ti1
8
123
212.51
mp-1220476
-8.051156
-1.553074
2.61692
other
Nb1Al2Ni9
12
123
135.8
mp-1207471
-4.701986
-4.46316
4.218477
other
Zr2Si1Se2
5
123
124.05
mp-1225893
8.66797
0.927706
0.644702
other
Cs1H1F2
4
123
77.32
mp-1025176
-7.796214
-4.040185
5.008846
other
Hf1Ga5Ni1
7
123
115.12
mp-1226954
-7.026251
-6.09453
5.248702
other
Ce2Mg1Zn1
4
123
102.59
mp-1217921
-7.831713
-1.534963
2.594336
other
Ta1Ga1Ni6
8
123
92.21
mp-1207983
-4.676432
-4.012791
1.584257
other
U2Br2N1
5
123
169.71
mp-1206678
-3.728762
-6.247166
1.625863
other
Th2P1Se2
5
123
166.68
mp-1186029
10.247045
10.116355
3.672334
other
Na2Zr2O5
9
123
132.83
mp-1222275
7.046574
9.872654
-0.934553
other
Li1Tl1O2
4
123
49.22
mp-1228186
-8.07449
-2.024048
2.913164
other
Al4Ni3Pt1
8
123
101.37
mp-1223176
-7.218576
-5.673329
3.637304
original
La1Ce1Sn6
8
123
216.66
mp-1221139
-5.461236
-3.623503
-2.915455
other
Na4Te1Se1
6
123
173.25
mp-1102278
-7.913409
-4.201055
5.601144
other
Tm2Ga8Co1
11
123
189.47
mp-19961
-8.033257
-5.524954
4.516714
other
Ce1In5Co1
7
123
160.28
mp-1206277
-2.872988
-8.252337
1.361894
other
Tb2Zn1Sb3
6
123
3,391.02
mp-1215496
-8.167153
-6.677048
2.308534
other
Zn1Cd1Ag2
4
123
68.49
mp-1206461
-2.842516
-8.286463
1.343744
other
Sm2Mn1Sb3
6
123
3,432.48
mp-675460
1.223969
2.023452
-4.794163
other
Li1Ti1Cl3
5
123
124.4
mp-5347
9.034569
0.721098
1.386233
other
K1Al1F4
6
123
80.35
mp-1228135
-6.364712
-1.518697
5.178131
other
Al5Cu1Mo2
8
123
117.44
mp-1208235
-5.849354
-2.502291
4.794104
other
Ti4Nb3Al9
16
123
263.25
mp-1214086
1.374838
1.69308
-3.737899
other
Ca2H1Cl2
5
123
349.37
mp-1186387
12.194391
9.173987
2.221205
other
Pa2Cr2O5
9
123
159.77
mp-1228906
-6.940743
-0.179005
4.055267
other
Al1Cr1Fe2
4
123
45.62
mp-1214821
-4.937776
-6.84125
3.48674
other
Ba2Mg1Ge2
5
123
180.33
mp-1218874
-5.626823
-7.052906
3.299362
other
Sr12Sn4N3
19
123
584.29
mp-1184129
11.029729
8.544448
2.462725
other
Dy2Y2O5
9
123
149.8
mp-1206654
-4.979589
-4.062702
5.055376
other
Hf2V1Si2
5
123
100.75
mp-1206210
-5.366343
-3.667806
1.82877
other
U2Te2O1
5
123
138.28
mp-1222763
-3.562092
1.803621
2.985831
other
La1Sm1B12
14
123
141.51
mp-505078
12.98925
10.281438
2.269591
other
Ba1Nb7O9
17
123
224.58
mp-1184138
11.656577
8.795386
2.209834
other
Er2Sc2O5
9
123
120.67
mp-1209608
-4.308238
-2.780309
-3.54172
other
Rb2Li1Se2
5
123
207.98
mp-571163
-7.841726
-2.49909
2.625854
other
Mn1Sb1Rh2
4
123
63.06
mp-1206198
-6.11968
-5.252449
3.609875
other
Sm2Ge3Ir3
8
123
170.62
mp-1207321
-2.971033
-8.182677
1.382905
other
Pr2Cu1Sb3
6
123
4,237.53
mp-1226475
1.616558
1.526118
2.295198
other
Ce1U1N2
4
123
59.98
mp-1222110
-8.263143
-1.38451
2.593353
other
Mn1Ga2Ni9
12
123
133.02
mp-1217098
-5.884007
-3.109243
3.796128
other
Ti4Cu1Ag1
6
123
96.87
mp-1221572
-8.169228
-2.288195
3.403197
other
Mn1In1Rh2
4
123
62.83
mp-1183901
11.673263
8.700665
1.875714
other
Cs2U2O5
9
123
187.18
mp-2459381
2.40471
2.071288
-3.882748
other
W2Br4O4
10
123
266.43
mp-2828744
-6.933569
-10.495659
6.407725
other
K1Hf1Mg6
8
123
206.64
mp-1228554
-8.429174
-1.503024
2.615606
other
Al2Ni9Pd1
12
123
139.74
mp-1211777
-5.23472
-5.517251
0.879745
other
Li3Nd2Sb3
8
123
243.33
mp-1187634
9.931503
10.020324
0.996808
other
Tm2Pd2O5
9
123
111.33
mp-1226353
-2.400731
-8.311837
1.706993
other
Cr2Pt2C1
5
123
113.95
mp-1207157
-7.977536
-5.438567
4.477147
other
Ce2In8Ir1
11
123
281.56
mp-1078338
-7.77721
-6.049612
3.922208
other
Tb1In5Co1
7
123
164.27
mp-1206161
-8.165833
-5.371464
4.280762
other
Tm1In5Rh1
7
123
157.73
mp-1217561
-3.368985
1.295995
2.799895
other
Tb1Co1C1
3
123
45.84
mp-1226501
-8.375698
-4.458687
2.536124
other
Ce1Sc1Pd6
8
123
133.37
mp-1206616
1.00915
1.53549
-3.47961
other
Ho2Br2O1
5
123
220.32
mp-1216158
11.497828
11.120564
-2.740473
other
W1C1O2
4
123
63.71
mp-1221105
1.89962
2.317288
-0.709221
other
Na1C1N1
3
123
56.47
mp-1219240
10.981906
8.94745
3.155513
other
Sc1Pa1O4
6
123
71.47
mp-1215228
-5.445967
-1.949582
4.263136
other
Zr1Ti4Be5
10
123
132.21
mp-1206491
-5.625979
-4.159789
2.979074
other
U2As1S2
5
123
109.27
mp-5841
-0.4257
0.674353
-0.219746
other
Rb1Cu1C2
4
123
101.98
mp-1025348
-7.846073
-4.397053
1.428271
other
Tl1P1Pd5
7
123
111.42
mp-1215336
-6.495099
-2.272461
5.780642
other
Zr1Al6Mo1
8
123
130.55
mp-1218196
16.829851
9.702287
7.126862
other
Sr1Mg3O4
8
123
97.88
mp-1224791
-8.086501
-1.886706
2.704255
other
Ga1Ni2Pt1
4
123
50.01
mp-1023161
-7.859756
-11.189939
6.32419
other
Ca1Mg6Mo1
8
123
177.07
mp-1207254
-3.209862
-2.484071
-3.49318
other
Tb2S2F1
5
123
143.27
mp-505517
13.024004
10.296756
2.256949
other
Ba1Nb4O6
11
123
147.68
mp-672257
-7.880085
-4.077783
5.783501
other
Tm2Ga8Fe1
11
123
198.16
mp-1224829
-7.583312
-0.141565
3.365183
other
Ga2Co6C1
9
123
98.13
mp-1219931
-7.546818
-6.425429
6.61933
other
Pr2Al1Zn1
4
123
103.93
mp-1226616
-2.197813
0.483782
2.372481
other
Ce1Dy1C4
6
123
86.6
mp-8159
-4.7849
-1.608542
-5.783427
other
Tl1Cu4S3
8
123
139.49
mp-1206074
-3.567024
-6.15675
1.28988
other
Nd2P3Rh3
8
123
166.68
mp-1095324
-7.799273
-5.287774
4.661163
other
U2In8Rh1
11
123
262.79
mp-644280
-8.175102
-2.940387
2.952668
other
Ga1Cu1Pt2
4
123
55.95
mp-1217672
-8.456553
-6.436992
5.551223
other
Tb2Zn1Cu1
4
123
86.43
mp-981808
10.205138
9.259933
1.297384
other
Sm2As2O5
9
123
139.64