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-644203
3.351446
-0.710443
-2.507121
other
Cs1Ca1H3
5
221
98.69
mp-1185614
11.117262
8.990922
2.098788
other
Mg1U1O3
5
221
55.44
mp-22364
8.991179
12.957387
-0.628087
other
Cr1Pb1O3
5
221
60.1
mp-10039
-7.297769
-6.678244
6.817675
other
Pr3Al1C1
5
221
135.58
mp-1183285
6.989882
8.623639
-1.431157
other
Ba1Ca1O3
5
221
88.98
mp-1018635
-8.409638
-4.270646
2.130852
other
Sc1Pd3C1
5
221
74.75
mp-1183919
6.890068
8.51491
-1.407768
other
Cs1Pr1O3
5
221
107.51
mp-1186392
12.029567
9.053658
2.157493
other
Pa1Be1O3
5
221
46.96
mp-1186198
6.358287
8.936685
-2.265652
other
Na1Zn1O3
5
221
59.65
mp-2976
-8.69712
-4.513146
2.335047
other
Pr1B1Pd3
5
221
85.04
mp-5893
11.385168
8.362881
0.698118
other
Ca1Si1O3
5
221
46.97
mp-1183403
7.170037
8.805652
-1.927623
other
Be1Bi1O3
5
221
49.58
mp-1183418
6.573849
8.741225
-2.487377
other
Be1Cd1O3
5
221
47.25
mp-27294
-0.090593
1.196032
-3.600766
other
Ca3As1Br3
7
221
208.79
mp-1016883
7.653844
8.793891
0.441397
other
Zr1Zn1O3
5
221
71.12
mp-10602
-7.569885
-6.571035
6.758479
other
Sm3Ga1C1
5
221
125.16
mp-1186600
7.00599
8.62268
-1.240125
other
Pm1Mg1O3
5
221
57.37
mp-1075902
6.704858
10.61236
0.070021
other
Eu1Cu1O3
5
221
56
mp-1017556
0.212942
2.305704
1.68495
other
Cu1Ni3N1
5
221
50.74
mp-21850
-6.917982
0.188477
3.41933
other
Fe3Sn1C1
5
221
58.92
mp-22496
-7.10397
-6.903552
6.286961
other
Nd3Tl1N1
5
221
198.52
mp-6951
8.382697
0.858215
1.070551
other
Rb1Cd1F3
5
221
86.64
mp-1020638
9.20041
8.935905
-0.095597
other
Na8P1O3
12
221
209.16
mp-975296
6.930499
8.477421
-1.439366
other
Rb1Ho1O3
5
221
90.99
mp-975380
6.812596
8.629352
-2.046103
other
Rb1Cd1O3
5
221
89.06
mp-10606
-7.704064
-6.822719
6.627996
other
Sm3Tl1C1
5
221
128.18
mp-7143
11.28073
8.662832
2.525355
other
Ba1Pu1O3
5
221
84.09
mp-2998
9.549627
10.597249
3.227141
other
Ba2Ti2O6
10
221
128.74
mp-1183977
7.621146
9.190167
-1.027503
other
Cs1Ti1O3
5
221
69.27
mp-1184562
12.008942
8.922101
-0.41443
other
Ge1Bi1O3
5
221
61.53
mp-1206341
11.599646
9.206282
1.006916
other
Nd1Sb1O3
5
221
78.49
mp-1183701
12.393382
9.776546
1.679611
other
Ce1Ta1O3
5
221
66.66
mp-1207183
-6.441549
-0.220249
3.492557
other
Mn3Au1N1
5
221
55.87
mp-1187147
7.267861
8.405012
-0.382303
other
Sr1Er1O3
5
221
81.45
mp-973136
6.631015
8.595075
-1.632376
other
Li1Sm1O3
5
221
52.1
mp-1183971
7.60908
10.964592
0.008058
other
Cs1Ru1O3
5
221
67.44
mp-1184992
6.668012
8.718086
-2.096002
other
K1Cd1O3
5
221
81.74
mp-22537
-7.199188
-6.742793
6.805316
other
Er3Sn1C1
5
221
171.21
mp-1016929
8.480424
10.71887
-0.562966
other
Mg1Rh1O3
5
221
59.33
mp-980537
7.108949
8.669596
-1.763997
other
Rb1Yb1O3
5
221
93.7
mp-1013588
-4.57562
-6.030195
1.093912
other
Sr3Sb1P1
5
221
189.12
mp-1076070
6.992894
10.422642
1.193906
other
La1Cu1O3
5
221
58.04
mp-574239
-7.019298
-6.795038
7.027928
other
Tm3Al1C1
5
221
149.01
mp-1206999
-8.367977
-4.840176
2.559124
other
Sm1Ge1Pd3
5
221
104.79
mp-8399
8.332767
0.701115
1.112753
other
Cs1Cd1F3
5
221
90.33
mp-1020590
1.966592
2.333268
0.82884
other
Na8N3O1
12
221
193.94
mp-1112987
-0.594212
1.495775
-4.65706
other
Cs1Au1Br3
5
221
163.9
mp-1187744
12.217566
10.781298
0.215013
other
V1Bi1O3
5
221
61.15
mp-1186597
9.700862
8.798753
2.387914
other
Pm1In1O3
5
221
71.27
mp-1023129
1.434548
2.505197
-5.762819
other
K1Cu1Cl3
5
221
110.46
mp-22979
10.933761
8.54746
-0.41821
other
Ga1Bi1O3
5
221
57.2
mp-4079
-3.375004
-0.634058
3.238151
other
Sc3Al1C1
5
221
91.7
mp-1076638
10.091629
12.032534
-3.196398
other
Rb1V1O3
5
221
60.01
mp-1070375
1.373576
2.661784
-5.89371
other
Cs1Sn1Cl3
5
221
172.32
mp-1183053
10.545231
8.735483
2.079386
other
Ac1Ga1O3
5
221
61.46
mp-20325
-5.252177
-2.337393
3.601337
other
Ti3In1C1
5
221
75.99
mp-1099259
7.597797
8.993316
-1.401474
other
Li1Mg3O4
8
221
75.66
mp-978506
12.489297
9.225024
0.71484
other
Sm1Si1O3
5
221
53.52
mp-978504
10.371941
8.784632
1.893733
other
Sm1Ga1O3
5
221
57.61
mp-1013530
-4.709035
-6.263657
1.2858
other
Sr3Bi1P1
5
221
236.47
mp-973892
7.228841
8.610697
-1.460416
other
Eu1Al1O3
5
221
53.5
mp-1013733
-5.290363
-6.212392
0.867422
other
Ca3Bi1Sb1
5
221
196.12
mp-19025
8.049916
11.506936
2.194551
other
La1Mn1O3
5
221
61.37
mp-1185490
9.223764
10.30529
0.272679
other
Lu1Pd1O3
5
221
62.28
mp-22087
-6.263447
-0.837014
3.74152
other
Ta1Ru3C1
5
221
66.71
mp-1207093
-5.907769
-0.534245
3.538016
other
Lu1Ru3C1
5
221
69.04
mp-1023920
13.049819
9.549331
2.132352
other
Mg3Nb1O4
8
221
84.95
mp-510377
-9.204191
-1.646024
3.921689
other
Eu1B1Rh3
5
221
75.46
mp-864911
8.105328
11.436177
2.290789
other
Ac1Mn1O3
5
221
62.24
mp-1183445
7.577226
8.429587
-2.566611
other
Be1Si1O3
5
221
42.05
mp-975421
6.811993
9.417727
-1.62367
other
Rb1Ag1O3
5
221
77.08
mp-1184033
5.432859
11.598648
-2.100613
other
Ga1Fe1O3
5
221
55.36
mp-984356
7.495087
10.613812
-0.722014
other
Cs1Ir1O3
5
221
68.6
mp-8577
-3.160218
-0.351135
3.415481
other
Sc3Ga1C1
5
221
89.57
mp-1102223
8.797702
8.787037
-0.066952
other
K8Sb1O3
12
221
349.48
mp-600089
-0.290706
1.355011
-4.582001
other
Cs1Pb1Br3
5
221
210.5
mp-977184
12.111764
9.848339
1.471739
other
Np1Tc1O3
5
221
62.79
mp-510624
5.19838
10.871429
-1.266359
other
Sr1Fe1O3
5
221
56.13
mp-973830
6.853147
8.495193
-1.562356
other
K1Er1O3
5
221
86.73
mp-781625
9.622348
10.585796
0.813322
other
Ba1Os1O3
5
221
67.13
mp-10373
-4.799222
0.053481
3.354072
other
Cr3Pd1N1
5
221
56.62
mp-1186557
9.866065
8.397966
3.255487
other
Pm1Er1O3
5
221
77.66
mp-570591
1.381867
2.625369
-5.819668
other
Cs1Hg1Cl3
5
221
157.71
mp-1187562
6.510285
10.589515
-1.210896
other
Yb1Cu1O3
5
221
52.56
mp-1183706
8.814052
11.19123
1.845389
other
Ce1Mn1O3
5
221
60.37
mp-1183449
10.115748
11.441766
-1.28824
other
Be1V1O3
5
221
40.32
mp-754046
6.966668
8.567255
-1.367295
other
Pr1Tl1O3
5
221
100.23
mp-1184813
12.568628
9.268808
0.767844
other
Ho1Si1O3
5
221
51.05
mp-1099258
12.990088
9.557364
2.143948
other
Hf1Mg3O4
8
221
86.28
mp-1183923
7.306523
8.618961
-1.209351
other
Cs1Ac1O3
5
221
115.52
mp-1020032
1.876
2.743837
0.920912
other
Li8N3O1
12
221
110.97
mp-10140
-7.391297
-5.703784
5.08519
other
Sc3Tl1B1
5
221
103.18
mp-505571
-6.202615
-0.170919
3.404844
other
Mn3Sn1N1
5
221
58.36
mp-1017580
3.389324
-0.424231
-2.472459
other
K1Mg1H3
5
221
87.28
mp-20978
-7.055893
-7.169549
6.691431
other
Ho3Tl1C1
5
221
173.65
mp-1183479
12.635944
10.550152
-0.138412
other
Bi1Mo1O3
5
221
69.76
mp-1101846
3.339381
-0.607393
-2.223607
other
Mg3Ti1H8
12
221
98.88
mp-1184957
7.280231
8.600935
-1.708019
other
K1Rb1O3
5
221
125.2
mp-7159
-7.188051
-6.594179
5.985175
other
La3Tl1C1
5
221
143.94
mp-1147682
4.395647
2.315409
-3.092098
other
Cs1Nb1C6
8
221
177.61