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-1186948
10.302421
9.523568
-0.220591
other
Sb1Pb1O3
5
221
74.97
mp-866816
-3.300007
-1.648344
-5.549448
other
Ca1Sn1S3
5
221
125.84
mp-973681
9.862437
10.282384
0.807818
other
Lu1Rh1O3
5
221
60.42
mp-23080
11.313313
8.222644
-0.211712
other
Al1Bi1O3
5
221
54.32
mp-21862
-6.238825
-0.715151
3.525186
other
V1Ru3C1
5
221
64.16
mp-975308
6.878675
8.473634
-1.411339
other
Rb1Gd1O3
5
221
89.44
mp-1068661
-8.810059
-1.837546
3.990963
other
Zr1B1Rh3
5
221
69.59
mp-29241
-5.428857
-5.988257
3.178344
other
Ca3Sn1O1
5
221
112.43
mp-1187182
6.656959
8.701079
-1.633144
other
Sr1Mg1O3
5
221
65.24
mp-1206415
-8.805941
-0.525662
2.655667
other
Mg1Ni3B1
5
221
57.62
mp-1020578
-3.143376
-2.129368
-5.221847
other
Sr4S3O1
8
221
205.69
mp-1187310
6.95001
8.618665
-1.61714
other
Tb1Be1O3
5
221
45.99
mp-7167
-8.415929
-1.684339
3.093633
other
Sm1Rh3C1
5
221
73.28
mp-1013734
-4.475937
-6.202106
2.030465
other
Ba3As1N1
5
221
165.25
mp-1187487
9.44281
10.485188
1.5905
other
Th1Cu1O3
5
221
57.88
mp-1016886
12.08849
12.27359
-1.678378
other
Mg1V1O3
5
221
53.98
mp-974740
10.688168
8.832996
1.180133
other
Nd1Bi1O3
5
221
87.27
mp-1100777
11.893654
12.440988
-1.163802
other
V1Te1O3
5
221
60.64
mp-864636
8.987069
11.0392
1.247018
other
Ce1Fe1O3
5
221
60.86
mp-866030
12.036177
8.804589
0.76065
other
Eu1Si1O3
5
221
51.38
mp-1147771
1.720267
2.099826
1.571802
other
Al1Cu3N3
7
221
67.42
mp-1016833
7.701862
10.598262
0.106239
other
Ca1Rh1O3
5
221
61.83
mp-1206401
-8.472242
-1.900779
3.154696
other
La1Rh3C1
5
221
77.69
mp-1188011
11.876393
8.912539
1.58319
other
Zr1Be1O3
5
221
41.75
mp-1184349
8.751068
10.765433
-0.720957
other
Fe1Rh1O3
5
221
59.25
mp-570223
-0.37368
1.244266
-4.800783
other
Cs1Ge1Br3
5
221
169.42
mp-1187469
7.992258
10.573858
-0.67419
other
Ti1Cu1O3
5
221
57.1
mp-1183115
10.675412
8.456168
2.387715
other
Ac1Al1O3
5
221
57.45
mp-8218
10.600457
8.703525
2.468643
other
Pr2Al2O6
10
221
106.22
mp-555123
9.457954
0.964978
1.545232
other
K1Mn1F3
5
221
73.18
mp-998159
9.874479
1.784191
1.929895
other
Tl1Fe1F3
5
221
77.01
mp-1013561
-4.843868
-6.053101
0.828112
other
Sr3Sb1As1
5
221
200.04
mp-975159
6.347335
8.858323
-2.390884
other
Rb1Zn1O3
5
221
72.2
mp-1183772
12.482257
10.816185
-1.288733
other
Co1Mo1O3
5
221
63.22
mp-984552
6.425491
8.669536
-2.615814
other
Be1Zn1O3
5
221
42.99
mp-21233
0.597557
0.947211
2.569487
other
Ti3In1N1
5
221
73.45
mp-989564
0.933559
2.397464
1.76967
other
La1Os1N3
5
221
61.66
mp-1184935
6.16318
8.846524
-2.11467
other
K1Pb1O3
5
221
82.93
mp-1184546
12.022772
8.728955
0.820154
other
Ho1B1O3
5
221
41.88
mp-1017467
6.615113
12.253754
1.168356
other
Ca1Mn1O3
5
221
54.95
mp-1187359
11.92141
9.994556
1.260614
other
Tb1Os1O3
5
221
62.27
mp-1016930
10.926486
8.655074
-1.241381
other
Zn1Ge1O3
5
221
51.56
mp-1017577
-7.466642
-6.238653
5.940858
other
Ho3Al1N1
5
221
105.12
mp-3022
-8.691081
-4.445247
2.22579
other
Tb1B1Pd3
5
221
81.05
mp-1186199
7.160961
8.684722
-2.057574
other
Na1Yb1O3
5
221
86.78
mp-1185996
8.753129
6.64877
-2.19065
other
Mn1B1O3
5
221
39.21
mp-1183128
11.08804
12.064775
-0.481465
other
Al1V1O3
5
221
48.25
mp-1187595
5.823508
11.512693
-1.401428
other
Yb1Ni1O3
5
221
51.89
mp-1206911
-5.874738
-0.502703
3.518989
other
Er1Ru3C1
5
221
69.98
mp-1183393
6.844701
9.237103
-0.728956
other
Ba1Tl1O3
5
221
82.33
mp-1183154
7.307547
8.680789
-1.821096
other
Al1Pb1O3
5
221
56.38
mp-1013562
-4.520149
-6.085878
1.171056
other
Ba3Sb1As1
5
221
240.38
mp-973930
11.036949
8.966657
1.644852
other
Np1Be1O3
5
221
45.49
mp-1207194
1.411505
2.146532
1.241273
other
Cu3Rh1N1
5
221
57.01
mp-1068377
1.128239
2.340294
-5.941936
other
Cs1Eu1Cl3
5
221
178.75
mp-998358
8.768075
0.674957
1.043943
other
Mg1Ag1F3
5
221
63.44
mp-10120
-8.734916
-4.504435
2.281169
other
Nd1B1Pd3
5
221
84.21
mp-1185847
6.999718
8.8335
-1.404811
other
Mg1Bi1O3
5
221
60.96
mp-975208
7.526281
10.947251
0.048247
other
Rb1Ru1O3
5
221
62.98
mp-1013705
-4.952348
-6.291615
1.051447
other
Sr3Bi1As1
5
221
237.96
mp-1503976
12.252865
10.1569
0.678712
other
Y1Mo1O3
5
221
68.33
mp-22549
6.7509
11.315921
1.130364
other
Sm1Co1O3
5
221
53.03
mp-971704
6.987093
8.34734
-2.333338
other
Zn1B1O3
5
221
38.57
mp-1185514
12.477215
9.300948
0.972203
other
Lu1Ge1O3
5
221
58.23
mp-1013533
-3.951994
-5.438568
1.887745
other
Ba3P1N1
5
221
161.94
mp-1017558
-7.499014
-6.123895
5.822443
other
Er3Al1N1
5
221
102.93
mp-21076
-8.570087
-1.865141
3.237607
original
Eu1Rh3C1
5
221
75.32
mp-1246929
1.01084
1.396323
2.804199
other
Zr4B1N3
8
221
101.1
mp-1185310
6.80091
8.657552
-1.738899
other
Li1Er1O3
5
221
48.84
mp-866101
9.729165
10.915792
2.250674
other
Ac1Cr1O3
5
221
61.36
mp-10133
-7.341207
-5.642953
5.084925
other
Sc3B1Pb1
5
221
102.37
mp-975373
6.04116
10.814487
-1.466365
other
Rb1Ni1O3
5
221
66.52
mp-1186106
12.381566
10.574027
-0.481838
other
Mo1Pb1O3
5
221
69.3
mp-8020
11.936496
9.754782
2.256123
other
La1Ti1O3
5
221
62.05
mp-1183395
12.276915
10.363521
0.400067
other
Ba1W1O3
5
221
72.22
mp-1016853
11.329023
11.961916
-0.327321
other
Ca1V1O3
5
221
56.2
mp-985292
7.237628
8.184119
-2.311137
other
Ag1B1O3
5
221
42.26
mp-862832
11.504642
9.179834
2.863785
other
Pa1Tl1O3
5
221
83.82
mp-20273
-5.464898
-6.462304
2.90467
other
Ca3Pb1O1
5
221
113.8
mp-1184447
11.194985
10.545364
1.058734
other
Eu1Tc1O3
5
221
62.47
mp-2647018
12.142498
9.793587
2.254014
other
Pm1Ti1O3
5
221
60.25
mp-977107
7.468283
11.131194
-0.078809
other
Na1Ru1O3
5
221
57.85
mp-1013714
-4.514902
-6.184088
1.195194
other
Ba3Sb1As1
5
221
273.73
mp-1024043
17.299322
9.799572
7.259224
other
Ca1Mg3O4
8
221
87.88
mp-1186893
7.026107
8.546998
-2.170908
other
Rb1Sn1O3
5
221
74.12
mp-10036
-6.514707
-5.764842
5.707254
other
Ce3Al1C1
5
221
124.05
mp-1070713
-8.17674
-0.910527
2.374561
other
In1Ni3N1
5
221
56.62
mp-10714
-8.346395
-1.773035
2.965842
other
Tm1Rh3C1
5
221
70.24
mp-976185
6.31301
8.928139
-2.472107
other
Na1Be1O3
5
221
46.24
mp-1016830
10.998343
11.450826
2.342792
other
Mg1Ti1O3
5
221
56.73
mp-1186349
12.398036
9.314625
1.383502
other
Np1Si1O3
5
221
54.13
mp-1185692
6.457921
8.604937
-2.570273
other
Mg1Be1O3
5
221
42.53
mp-978493
11.906926
8.923434
-0.406754
other
Si1Sn1O3
5
221
51.16
mp-1017465
10.975761
11.638686
0.471275
other
Ba1V1O3
5
221
63.16
mp-1013542
-5.533609
-7.13941
2.805987
other
Ca3Bi1N1
5
221
200.2
mp-1207179
11.716232
9.262791
1.056094
other
Sm1Sb1O3
5
221
77.8
mp-1206344
8.664831
1.377078
0.228476
other
Mn1Ag1F3
5
221
85.76
mp-1018636
-8.184865
-4.324458
1.770754
other
Sn1Pd3C1
5
221
76.92
mp-1206988
-8.445408
-2.024434
3.850763
other
Nb1B1Rh3
5
221
69.56
mp-1078554
3.325928
-0.689444
-2.360773
other
K1Na3H4
8
221
134.11