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-19836
-7.109938
-7.100623
6.886159
other
Tb3Tl1C1
5
221
179.45
mp-975521
7.087687
8.615982
-1.177618
other
Nd1Mg1O3
5
221
59.72
mp-1094009
7.054898
8.429004
-1.631079
other
Y1Ag1O3
5
221
86.75
mp-975274
7.060315
8.728913
-2.035844
other
Rb1Na1O3
5
221
92.82
mp-1185303
7.925229
8.499834
-2.923095
other
Li1Ge1O3
5
221
51.78
mp-1183925
6.8668
8.609802
-1.992927
other
Cs1Cd1O3
5
221
93.64
mp-4950
8.232196
0.777262
1.662223
other
K1Ca1F3
5
221
90.02
mp-1213855
-8.391829
-4.605696
2.556741
other
Ce8Pd24Pb1
33
221
617.21
mp-624739
-2.236194
-8.455969
1.707296
other
Sc1Ir3C1
5
221
102.84
mp-1111868
8.375327
0.816044
0.618694
other
K1Au1F3
5
221
90.18
mp-1187479
12.068875
10.255002
2.362757
other
Yb1Ta1O3
5
221
64.16
mp-8397
8.14852
0.765888
1.6989
other
Cs1Sr1F3
5
221
108.07
mp-8398
8.202065
0.787747
1.756893
other
Cs1Yb1F3
5
221
91.66
mp-1068577
10.537221
10.329402
3.21331
other
Zr1Pb1O3
5
221
74.56
mp-1184833
9.569974
10.209469
0.841152
other
Ho1Rh1O3
5
221
61.04
mp-1017466
6.474864
11.985379
1.209061
other
Sr4Mn4O12
20
221
231.65
mp-1183821
9.709019
10.262655
0.86467
other
Dy1Rh1O3
5
221
61.18
mp-1016820
10.050172
9.512824
0.374528
other
Mg1Sn1O3
5
221
65.22
mp-21022
-7.322208
-6.261696
5.800253
other
Nd3In1N1
5
221
127.13
mp-1206517
1.405573
2.151465
1.21387
other
Cu3Pd1N1
5
221
58.35
mp-10185
-7.13035
-11.887241
5.847791
other
Mg3Zn1C1
5
221
85.59
mp-1207081
3.4336
-0.740901
-2.495412
other
Cs1Tm1H3
5
221
88.23
mp-1184959
7.096982
8.587865
-1.554611
other
K1Sr1O3
5
221
113.85
mp-571068
-6.656708
-8.77904
4.007066
other
K3Mg20In14
37
221
959.14
mp-552676
7.710573
11.082549
1.557117
other
La1Fe1O3
5
221
61.97
mp-1183160
8.250417
8.613247
-1.322371
other
Al1In1O3
5
221
51.26
mp-758371
7.563251
8.638324
-2.519297
other
Yb1Al1O3
5
221
51.07
mp-1183139
6.845345
11.045238
0.981623
other
Ac1Ni1O3
5
221
58.36
mp-1040471
12.072232
11.127377
-2.124461
other
Na1Mo1O3
5
221
61.58
mp-10674
-7.141689
-6.727049
6.883878
other
Sm3Al1N1
5
221
163.52
mp-1186812
12.384174
9.891296
2.265996
other
Pu1Ti1O3
5
221
60.12
mp-1183544
7.201307
8.445862
-0.731814
other
Ca1Y1O3
5
221
82.06
mp-1184942
7.095915
9.989585
-1.424376
other
K1Au1O3
5
221
71.88
mp-2464440
1.522215
2.657789
-5.640725
other
K1Ag1Cl3
5
221
134.88
mp-983564
10.48067
9.107381
-0.539125
other
Eu1As1O3
5
221
63.93
mp-9721
-5.273962
-5.862701
3.07606
other
Ca3Ge1O1
5
221
104.81
mp-11733
-7.49125
-6.250567
5.628516
other
Lu3In1N1
5
221
100.43
mp-1187425
12.324108
9.31069
0.998666
other
Th1Si1O3
5
221
58.59
mp-19958
-7.082016
-7.183228
6.94209
other
Gd3Pb1C1
5
221
193.98
mp-1184234
5.433369
10.69339
-2.303285
other
Fe1Ag1O3
5
221
57.62
mp-1183414
6.676023
9.089879
-2.328458
other
Be1Au1O3
5
221
45.54
mp-1184937
9.433362
8.457074
-2.203928
other
K1As1O3
5
221
56.78
mp-1147638
4.51651
2.328444
-2.881793
other
Cs1V1C6
8
221
148.86
mp-1099246
14.837974
9.658146
4.178526
other
Mg3Bi1O4
8
221
103.15
mp-977112
6.957685
8.707287
-1.993337
other
Na1Sr1O3
5
221
74.53
mp-19881
-7.731431
-6.542037
6.389137
other
Dy3In1C1
5
221
117.88
mp-7104
8.206736
0.737008
1.752276
other
Cs1Ca1F3
5
221
92.38
mp-1183917
11.41153
11.049609
-2.20746
other
Cs1Mo1O3
5
221
70.6
mp-981934
6.652538
9.026178
-1.781181
other
La1Be1O3
5
221
50.97
mp-1184503
9.395305
10.348861
0.843862
other
Gd1Rh1O3
5
221
62.28
mp-977408
11.278586
11.407538
2.685668
other
Nb1Tl1O3
5
221
69.35
mp-1076317
6.576344
10.959191
-1.230123
other
Mg1Cu1O3
5
221
51.94
mp-1102124
9.341894
8.917675
-0.090139
other
Na8Bi1O3
12
221
236.9
mp-1019800
8.667313
8.271896
0.101779
other
K8N3O1
12
221
305.92
mp-22502
-6.387901
-0.208062
3.458936
other
Mn3Ir1N1
5
221
59.64
mp-1017446
8.878182
8.941921
1.293707
other
Hf1Cd1O3
5
221
68.83
mp-865758
10.75472
8.871372
0.774291
other
Yb1Ge1O3
5
221
52.14
mp-7604
9.179122
2.408807
2.218157
other
Mg3N1F3
7
221
74.15
mp-1104461
-8.17358
-2.733993
5.548923
other
Tb3Ga9Ru3
15
221
261.14
mp-1016882
10.014972
10.918373
0.358504
other
Cd1Os1O3
5
221
61.3
mp-975384
6.033663
8.932629
-1.583523
other
Rb1Bi1O3
5
221
77.3
mp-546910
7.046997
8.843389
-1.427894
other
Ca1Sn1O3
5
221
82.31
mp-984357
6.950103
8.582117
-1.751257
other
Cs1K1O3
5
221
90.71
mp-1076360
7.422933
10.802159
-2.479755
other
Rb1Cr1O3
5
221
61.49
mp-1186747
11.986598
9.508137
2.448612
other
Pr1Hf1O3
5
221
70.23
mp-1184445
7.650567
10.370015
0.296003
other
Eu1Ir1O3
5
221
64.5
mp-1184954
6.901378
8.479608
-1.460294
other
K1Dy1O3
5
221
89.23
mp-1184557
8.612005
8.676291
-2.6558
other
Ge1Pd1O3
5
221
53.48
mp-1186400
11.732931
10.308956
1.434128
other
Pa1Co1O3
5
221
54.1
mp-974842
7.569057
10.149991
-1.325267
other
K1Pt1O3
5
221
66.25
mp-21028
-6.938159
-7.066056
6.589962
other
Er3Tl1C1
5
221
172.49
mp-19817
-7.493681
-6.413166
6.231158
other
Y3In1C1
5
221
118.97
mp-22540
8.861272
8.641903
1.482044
other
Ce1Ga1O3
5
221
85.97
mp-1013713
-4.368553
-6.385637
1.675764
other
Ba3Bi1P1
5
221
279.88
mp-1184348
5.984727
8.572256
-0.773142
other
Eu1Pb1O3
5
221
78.67
mp-1194936
-3.794717
-8.329485
6.991253
other
Mg64Si32Bi1
97
221
2,075.38
mp-9061
8.369555
1.171011
0.446476
other
K1Pd1F3
5
221
80.02
mp-14099
8.801498
0.927676
0.665555
other
Zn1Ag1F3
5
221
67.57
mp-6952
8.169849
0.76828
1.730214
other
Rb1Yb1F3
5
221
88.04
mp-636273
-7.389827
-6.713847
6.667875
other
Nd3Ga1N1
5
221
166.83
mp-978862
7.139327
8.651886
-1.895549
other
Sr1Al1O3
5
221
56.44
mp-977412
6.014383
11.52109
-0.206934
other
Eu1Ni1O3
5
221
54.55
mp-1104851
-8.184958
-2.969949
5.598628
other
Gd3Ga9Ru3
15
221
264.3
mp-1184369
7.213057
9.830761
-0.69048
other
Eu1Pd1O3
5
221
65.42
mp-1186126
5.420377
11.51115
-1.822544
other
Na1Co1O3
5
221
53.3
mp-541365
3.381075
-0.681009
-2.342496
other
Li1Eu1H3
5
221
51.34
mp-1187715
7.149229
8.649117
-1.190666
other
Yb1Eu1O3
5
221
74.7
mp-1185941
12.098644
10.262887
0.496199
other
Mg1Re1O3
5
221
60.35
mp-1186097
6.43804
8.679547
-2.458558
other
Na1Al1O3
5
221
52.92
mp-1184309
7.347105
8.559922
-0.321833
other
Eu1Lu1O3
5
221
77.18
mp-561598
6.968777
8.694898
-1.720023
other
Ba1Pb1O3
5
221
101.86
mp-1185015
11.4029
8.657529
1.926954
other
K1Np1O3
5
221
78.7
mp-1183292
6.642702
8.682417
-1.672923
other
Ba1Cd1O3
5
221
79.65
mp-5827
9.907474
11.183877
3.055491
other
Ca1Ti1O3
5
221
58.84
mp-1207172
11.465056
8.820321
2.6293
other
Sr1Pu1O3
5
221
83.06
mp-1187655
12.443466
9.265866
1.033517
other
Tm1Ge1O3
5
221
58.73
mp-1183920
10.94562
8.837382
2.881888
other
Cs1Pa1O3
5
221
86.93
mp-1016843
10.983625
10.590261
0.484378
other
Mg1Os1O3
5
221
60.09
mp-1187226
11.829224
10.294555
0.818788
other
Sr1Re1O3
5
221
63.85
mp-754940
-4.635488
-6.827397
3.174971
other
Ba3Si1O1
5
221
159.56