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-20180
-6.032119
-0.185392
3.340475
other
Mn3Ge1C1
5
221
54.58
mp-29676
-7.613043
-6.456497
6.79293
other
Dy3Al1C1
5
221
115.52
mp-11651
3.551185
2.770541
1.889391
other
Yb3Sn1O1
5
221
108.43
mp-1018641
-7.476433
-6.231434
5.835213
other
Tm3Al1N1
5
221
101.02
mp-1239170
7.282161
8.576683
-0.985126
other
Zr1Be1O3
5
221
69.74
mp-1212456
-8.086944
-2.868518
5.766713
other
Gd3Ga9Os3
15
221
264.72
mp-1183221
7.659327
6.849315
-1.548278
other
B1Ir1O3
5
221
39.85
mp-1017554
-8.110613
-0.986975
2.438114
other
Cd1Ni3N1
5
221
55.81
mp-20750
-7.105994
-6.781361
6.842141
other
Tb3Sn1C1
5
221
178.52
mp-20967
-8.654324
-4.424647
2.172135
other
Gd1B1Pd3
5
221
79.81
mp-19948
-8.459558
-4.432506
2.399231
other
Ce1B1Pd3
5
221
84.09
mp-1013643
-4.75429
-6.161202
1.224887
other
Sr3Bi1P1
5
221
192.77
mp-1079882
9.216897
8.489532
1.952855
other
Ba3Sr1O4
8
221
169.34
mp-1416619
11.704115
9.260199
0.985281
other
Y1Sb1O3
5
221
76.79
mp-1024035
13.156632
8.919893
5.011267
other
Rb1Mg3O4
8
221
100.69
mp-1207074
-7.443449
-6.709513
6.511147
other
Gd3Sn1C1
5
221
121.1
mp-1016842
10.333249
11.629133
1.534489
other
Ti1Hg1O3
5
221
60.3
mp-1102865
10.205462
11.228169
-0.003063
other
Li8Bi1O3
12
221
149.4
mp-1209191
1.345345
2.480408
-5.70868
other
Rb1Pb1Cl3
5
221
187.45
mp-1395974
12.424044
11.691171
-0.564941
other
Al1V1O3
5
221
55.87
mp-1186326
11.949795
9.775656
1.174793
other
Nd1Re1O3
5
221
64.04
mp-20362
-6.433656
-0.09424
3.462062
other
Mn3Ni1N1
5
221
56.56
mp-1184304
6.749769
8.739886
-0.710037
other
Eu1In1O3
5
221
73.63
mp-1183933
11.180738
8.496288
1.784349
other
Cs1Np1O3
5
221
84.66
mp-17424
-8.179336
-2.708837
5.541109
other
Tm3Ga9Ru3
15
221
254.08
mp-505766
5.68188
11.647174
-0.119479
other
Sr2Co2O6
10
221
117.28
mp-22120
-8.335228
-1.727824
3.020408
other
Y1Rh3C1
5
221
71.69
mp-762506
5.838765
11.331145
-0.529608
other
Sr2Ni2O6
10
221
118.5
mp-1016876
11.442329
8.612374
-0.264161
other
Zn1Si1O3
5
221
44.45
mp-1013536
-4.60061
-7.055368
2.314391
other
Sr3P1N1
5
221
182.28
mp-20423
-7.07514
-6.800255
6.920139
other
Nd3Sn1C1
5
221
197.06
mp-1183431
7.12486
10.34571
-1.757414
other
Be1Os1O3
5
221
40.62
mp-1183499
6.303258
8.909123
-2.324554
other
Be1Pb1O3
5
221
48.73
mp-998147
1.444009
2.468082
-5.482806
other
Tl1Cu1Cl3
5
221
111.99
mp-1224432
-3.34906
-3.718604
-2.774812
other
Hf1U3S3
7
221
147.9
mp-978489
11.304659
8.572242
-0.08121
other
Si1Pb1O3
5
221
52.66
mp-1206970
11.041983
8.752436
3.020464
other
K1Pa1O3
5
221
82.65
mp-19257
10.206141
11.038139
1.708039
other
Sm1Cr1O3
5
221
58.3
mp-1076782
5.731738
11.350068
-0.179535
other
Ba1Co1O3
5
221
63.12
mp-971975
6.84628
8.922742
-1.802515
other
Sr1Hg1O3
5
221
76.02
mp-1019541
9.249809
8.572568
2.038172
other
Ba1Ca3O4
8
221
133.3
mp-1110854
1.469366
2.605173
-5.726083
other
K1Au1Cl3
5
221
135.68
mp-20424
-7.762817
0.172426
3.50513
other
Mg1Co3C1
5
221
53.26
mp-1186312
10.303835
8.618865
2.920469
other
Nd1Np1O3
5
221
90.83
mp-979272
9.504214
10.059364
-2.014509
other
Te1Pd1O3
5
221
67.18
mp-984729
9.373658
8.538831
2.008331
original
Ba1Sr3O4
8
221
151.22
mp-640266
8.128359
8.483595
-0.507477
other
Ca9Al6O18
33
221
450.83
mp-510376
-9.087663
-1.965289
3.905169
other
Ce1B1Rh3
5
221
74.7
mp-1185308
6.685769
8.686261
-1.630772
other
Li1Dy1O3
5
221
49.62
mp-973613
6.987785
9.08324
-0.688324
other
Li1Ce1O3
5
221
49.97
mp-9060
8.349117
1.05166
0.506694
other
Rb1Pd1F3
5
221
82.07
mp-1013704
-5.302948
-6.247522
0.887923
other
Ca3Bi1Sb1
5
221
201.23
mp-568727
-8.346873
-1.697019
2.94501
other
Er1Rh3C1
5
221
70.64
mp-1421498
7.430594
12.49194
-1.40626
other
Al1Fe1O3
5
221
54.92
mp-1184751
12.680717
9.240655
0.503745
other
In1Si1O3
5
221
49.15
mp-985586
8.712451
9.070214
-0.339167
other
Na3Br1O1
5
221
93.15
mp-983513
10.315119
10.545609
1.241811
other
Pm1Ru1O3
5
221
62.28
mp-9834
7.159374
8.493741
-1.262433
other
Nd1Ga1O3
5
221
95.06
mp-28171
-0.556232
2.401143
-3.352526
other
K3I1O1
5
221
148.39
mp-1183686
6.845666
12.992898
-1.917846
other
Co1Au1O3
5
221
54.83
mp-975284
7.545871
10.640384
-0.590868
other
Rb1Ir1O3
5
221
64.44
mp-976775
6.448174
8.780202
-2.369169
other
Na1Mg1O3
5
221
64.85
mp-9964
0.548068
0.882081
2.849824
other
Ti3Tl1N1
5
221
74.83
mp-1183447
6.844124
8.593934
-2.617716
other
Be1Pd1O3
5
221
42.82
mp-3020
12.118505
10.007464
2.373389
other
Ba1Nb1O3
5
221
70.63
mp-18462
-8.10393
-2.718787
5.753088
other
Tb3Ga9Os3
15
221
261.57
mp-975588
8.559606
10.326035
0.086299
other
Pu1Pt1O3
5
221
66.65
mp-21017
-7.211208
-6.378541
6.36749
other
Y3Pb1C1
5
221
118.34
mp-1101820
2.905238
-0.369264
-1.787068
other
Mg1Ti3H8
12
221
88.74
mp-1016903
11.319754
8.151403
-1.353374
other
Cd1Ge1O3
5
221
54.12
mp-1186346
11.949445
9.181093
1.397892
other
Np1Sn1O3
5
221
71.96
mp-1206912
-7.695421
-6.259122
6.535884
other
Lu3Ga1C1
5
221
102.88
mp-1147716
4.549208
2.337168
-2.961545
other
Cs1Mo1C6
8
221
161.38
mp-1016879
11.390256
8.678204
-0.319607
other
Cd1Si1O3
5
221
47.43
mp-1187483
6.803856
11.082479
-1.329113
other
Tl1Cu1O3
5
221
56.75
mp-1185387
6.69309
8.579638
-1.603196
other
Li1Nd1O3
5
221
53.67
mp-1013543
-5.223883
-7.04642
2.801458
other
Ca3As1N1
5
221
158.47
mp-1184799
10.853316
10.809599
0.580084
other
In1Os1O3
5
221
62.73
mp-1186980
8.312244
11.442069
0.345434
other
Sc1Co1O3
5
221
49.1
mp-1206844
10.977988
8.728064
2.964658
other
Rb1Pa1O3
5
221
84.09
mp-1187202
7.694163
10.170258
-0.361691
other
Sr1Pt1O3
5
221
67.04
mp-1435808
7.75955
12.778913
-1.454623
other
Al1Co1O3
5
221
50.43
mp-1070599
1.26616
2.488692
-5.97207
other
Cs1Yb1Cl3
5
221
159.73
mp-28593
9.769315
11.172944
-0.818996
other
Li3Br1O1
5
221
61.57
mp-975346
5.936457
11.560548
-0.909568
other
Rb1Mn1O3
5
221
65.9
mp-644483
2.738287
-0.514195
-1.547624
other
Ti3Sn1H1
5
221
72.3
mp-3654
8.218525
0.756378
1.710798
other
Rb1Ca1F3
5
221
88.38
mp-1187750
12.074086
10.288027
0.373843
other
V1Os1O3
5
221
59.88
mp-1079248
3.308323
-0.529447
-2.349532
other
K3Na1H4
8
221
168.52
mp-1206123
-7.067551
-0.319763
3.35307
other
Al1Fe3H1
5
221
50.63
mp-21058
-2.529991
-8.038559
1.50889
other
Mn3In1C1
5
221
131.21
mp-977176
10.013748
10.964583
-0.007358
other
Na1Tc1O3
5
221
55.54
mp-1013553
-4.469035
-5.934976
1.101192
other
Sr3As1P1
5
221
185.19
mp-1183310
7.156032
8.826292
-0.224627
other
Ba1Eu1O3
5
221
87.37
mp-1206915
8.150809
1.743373
-0.477918
other
Co1Ag1F3
5
221
84.24
mp-1185498
11.043962
8.594627
2.570655
other
Lu1Np1O3
5
221
74.01
mp-1099588
8.222314
11.069081
1.35457
other
Sm1Fe1O3
5
221
59.74
mp-1417649
12.622937
9.89865
0.697974
other
Al1W1O3
5
221
61.36
mp-978503
6.715631
8.874019
-1.707845
other
Sm1Be1O3
5
221
47.7
mp-22345
6.584812
9.58632
-1.14944
other
Ti1Cd1O3
5
221
68.68