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-1279456
6.609757
14.034902
-1.434518
other
Li4Co2Ni2O8
16
21
141.18
mp-1219647
-4.803619
-5.031664
0.193959
other
Rb2Zn3Ge1As4
10
21
258.32
mp-1281672
12.799106
12.320707
0.138242
other
Li8Ti4V4O16
32
21
295.1
mp-1284127
7.080215
16.381685
-0.708338
other
Li4Mn2Ni2O8
16
21
141.78
mp-1177138
10.698001
9.151926
3.045494
other
Li4Y3Zr1O8
16
21
195.23
mp-753300
10.249804
7.524676
-2.490606
other
Li4Si8Ni4O24
40
21
551.6
mp-1219160
-4.149745
-3.59995
0.508598
other
Sm6Cu8P8O3
25
21
405.37
mp-756449
8.525935
10.270013
1.926686
other
Li16Y12Fe4O32
64
21
776.06
mp-616616
7.59359
10.679649
0.883339
other
Sr30Fe20Bi20O92
162
21
2,502.01
mp-704097
7.076089
11.016171
0.871842
other
Sr24Co16Bi8O60
108
21
1,556.14
mp-756514
9.638052
9.966068
2.604811
other
Li16Y12Cr4O32
64
21
764.26
mp-1233576
14.213624
7.543245
-4.185029
other
Ca1Y3P3O12
19
21
271.7
mp-753647
11.445026
7.483432
-2.521347
other
Li4Fe4Si2O12
22
21
313.85
mp-1223862
-4.793092
-5.047598
0.216415
other
K2Zn3Si1As4
10
21
242.43
mp-756980
10.667285
9.812441
2.028944
other
Li16Y12V4O32
64
21
771.69
mp-1078823
-6.004776
-3.425374
-1.978789
other
Cs2Zr1Ag2Te4
9
21
338.71
mp-759216
9.942842
10.67065
1.679636
other
Li1Y3W1O8
13
21
198.24
mp-1216053
10.830019
12.340546
-3.553849
other
Y1Er3V4O16
24
21
326.23
mp-1273921
8.461203
13.886
-0.669486
other
Li4Cr2Ni2O8
16
21
140.89
mp-756303
8.732585
10.326105
1.983967
other
Li16Y12Mn4O32
64
21
782.49
mp-752930
14.09136
7.115052
-6.012093
other
Li1Cu1P2O6
10
21
134.7
mp-1224710
10.769506
12.244956
-3.5321
other
Gd3Y1V4O16
24
21
339.16
mp-1223875
-4.820308
-5.008636
0.164682
other
K2Zn3Ge1As4
10
21
248.65
mp-1218962
8.696049
0.980503
1.528434
other
Sr30Al12O4F96
142
21
2,060.9
mp-1272200
8.296505
12.51368
-0.692145
other
Li8Ni4Bi4O16
32
21
352.07
mp-1224509
10.729617
12.229308
-3.479463
other
Gd1Y3V4O16
24
21
334.89
mp-755289
9.839979
9.136273
3.465839
other
Li3Y3Zr1O8
15
21
204.1
mp-1219867
-4.204509
-3.544576
0.573376
other
Pr6Cu8P8O3
25
21
421.77
mp-1216059
8.480605
10.547154
-3.33876
other
Y1Lu3Cr4O16
24
21
315.8
mp-1233278
14.297416
7.348574
-4.664346
other
Y3Mg1P3O12
19
21
270.76
mp-752617
12.000626
7.0195
-1.826972
other
Li1Fe1Si2O6
10
21
141.28
mp-1222077
10.490659
9.50507
-2.038233
other
Mn5Cu3Te16O40
64
21
1,027.94
mp-1216617
-5.256396
-2.762495
-4.259983
other
Tl2Ga1Cu3Se4
10
21
224.11
mp-1216747
-5.520691
-1.858713
-3.245358
other
Tl2Co3Ni1Se4
10
21
204.06
mp-1220842
8.086984
11.590403
0.828398
other
Nd6Y6Fe20O48
80
214
1,017.35
mp-1227996
12.158571
7.622747
-1.787665
other
Ca6Fe14Si12O48
80
214
871.98
mp-1215938
8.694395
8.42761
-1.269111
other
Yb6Y6Al20O48
80
214
889.12
mp-555961
9.751091
9.637066
-0.71254
other
Ca12Zn12Te8O48
80
214
1,094.8
mp-568923
1.928752
2.024762
1.007486
other
Ba24B12N24Cl12
72
214
1,647.84
mp-667353
6.248742
4.912285
-4.569053
other
Rb12Ce8N36O108
164
213
2,729.98
mp-557970
10.283117
9.450536
-1.948597
other
Sr12Cu12Te24O72
120
213
2,014.5
mp-878729
6.110126
13.164438
-1.644989
other
Li8Fe12Co4O32
56
213
587.24
mp-14390
13.211131
6.479189
-6.814589
other
Na12Ga4P32O92
140
213
1,780.48
mp-887677
6.025479
13.286592
-1.691226
other
Li8Co4Ni12O32
56
213
541.63
mp-14391
13.877879
7.398804
-6.69531
other
Na12V4P32O92
140
213
1,805.85
mp-1203748
12.726656
7.069409
-7.211576
other
Na12Fe4P32O92
140
213
1,788.46
mp-1213357
6.245362
4.93496
-4.57152
other
K12Sm8N36O108
164
213
2,547.02
mp-16140
13.96342
6.937616
-6.244702
other
Na12Ti4P32O92
140
213
1,812.51
mp-14389
13.18936
6.361008
-6.928509
other
Na12Al4P32O92
140
213
1,767.61
mp-1210983
12.679322
7.08225
-7.320845
other
Na12Mn4P32O92
140
213
1,793.36
mp-1210326
10.65856
10.37009
1.586655
other
Nb12Zn8Bi12O56
88
213
1,214.15
mp-1199661
8.28021
3.707029
-6.363425
other
K24Fe8C48O96
176
213
2,720.71
mp-8343
13.362738
7.04041
-6.939666
other
Na12Cr4P32O92
140
213
1,671.37
mp-1212001
3.262588
2.310136
1.218254
other
K12Si24H24N44
104
213
1,298.11
mp-1211002
11.716711
12.165634
1.818529
other
Li4Ti12Zn8O32
56
213
611.38
mp-680063
6.249253
4.947826
-4.581305
other
K12La8N36O108
164
213
2,590.16
mp-679958
6.272576
4.950637
-4.590665
other
Na12Nd8N36O108
164
213
2,329.92
mp-667318
6.25035
4.900825
-4.55791
other
K12Ce8N36O108
164
213
2,555.94
mp-1181068
-5.183385
-2.924549
-4.286505
other
In1Cu3Pb1Se4
9
215
237.24
mp-1179715
-5.087515
-2.992997
-4.08984
other
Rb1Hf1Cu3Se4
9
215
251.07
mp-1181585
-5.044186
-3.01763
-4.087387
other
Cs1Hf1Cu3Se4
9
215
264.86
mp-1179901
-5.361292
-2.738697
-4.283354
other
Na1Cu3Ni1Se4
9
215
198.8
mp-1180284
-5.418148
-2.799835
-4.297331
other
Mg1Cu3Ni1Se4
9
215
187.75
mp-1224666
8.511868
7.764593
-3.98124
other
Ge7H1N3O20
31
215
471.27
mp-1179060
-5.019551
-3.093849
-4.273594
other
Sr1Tl1Cu3Se4
9
215
251.53
mp-644264
3.174708
-0.580269
-2.097802
other
Ca4Mg4Fe3H22
33
215
298.79
mp-1180817
-5.323207
-2.834057
-4.196583
other
K1Cu3Ni1Se4
9
215
220.41
mp-557524
13.908809
8.944311
-4.42357
other
Cs3Mo4P3O16
26
215
487.22
mp-1180089
-5.215049
-2.949864
-4.211577
other
Na1Zr1Cu3Se4
9
215
219.82
mp-1194354
9.057732
7.465557
-2.926372
other
K3Ti4Si3O20
30
215
481.42
mp-10413
4.376849
2.229912
-3.257025
other
Ag1B1C4N4
10
215
194.11
mp-1178710
-5.200755
-3.084394
-4.29478
other
Y1Cu3Hg1Se4
9
215
221.84
mp-1210313
9.242949
7.618228
-2.220842
other
Na8Al12S1O28
49
215
854.06
mp-1181785
-5.371005
-2.71502
-4.307141
other
Co1Cu3Hg1Se4
9
215
201.13
mp-547029
11.15387
4.216518
-7.059039
other
Na3S1O4F1
9
215
191.14
mp-1180289
-5.486027
-2.754502
-4.36456
other
Mg1Cr1Cu3Se4
9
215
192.32
mp-1179697
-5.197942
-2.79138
-4.048025
other
Rb1Ti1Cu3Se4
9
215
233.31
mp-1179168
-5.432178
-2.89522
-4.266643
other
Sr1Cr1Cu3Se4
9
215
219.23
mp-1180113
-5.380639
-2.615768
-4.024758
other
Na1V1Cu3Se4
9
215
202.99
mp-1180804
-5.402688
-2.759891
-4.186795
other
K1Co1Cu3Se4
9
215
218.6
mp-1180283
-5.3814
-2.894831
-4.272786
other
Mg1Ga1Cu3Se4
9
215
198.01
mp-1181713
-5.442292
-2.716886
-4.375515
other
Cr1Cd1Cu3Se4
9
215
200.01
mp-572621
6.475634
3.827861
-4.785968
other
Ni4P4C12O18
38
215
712.06
mp-1178645
-5.368188
-2.817949
-4.314494
other
Zn1In1Cu3Se4
9
215
201
mp-1179135
-5.328378
-3.020947
-4.253963
other
Sc1Zn1Cu3Se4
9
215
192.86
mp-1181964
-5.272276
-3.002113
-4.259083
other
Ca1Ga1Cu3Se4
9
215
215.41
mp-1181852
-5.08746
-3.073178
-4.300372
other
Ca1Tl1Cu3Se4
9
215
236.2
mp-1217833
-3.479393
-1.2057
-5.534306
other
Ta1Tl6V1S8
16
215
466.65
mp-1178984
-5.223615
-2.798687
-4.339891
other
Tl1Zn1Cu3Se4
9
215
207.53
mp-1178705
-5.3349
-3.143107
-4.162111
other
Y1Mg1Cu3Se4
9
215
212.11
mp-1179014
-5.35235
-2.799651
-4.044962
other
Sr1V1Cu3Se4
9
215
223.7
mp-1179694
-5.322755
-2.657528
-3.950955
other
Rb1V1Cu3Se4
9
215
233.64
mp-1179516
-5.27855
-2.985879
-4.279067
other
Sc1Cu3Hg1Se4
9
215
210.16
mp-13590
4.350948
2.187485
-3.265066
other
Li1B1C4N4
10
215
171.06
mp-1179714
-5.367484
-2.823862
-4.1522
other
Rb1Mn1Cu3Se4
9
215
231.58
mp-1182242
-5.08287
-3.350048
-4.057743
other
Ba1Y1Cu3Se4
9
215
273.36
mp-13589
4.382771
2.174957
-3.209233
other
Cu1B1C4N4
10
215
159.73
mp-1178644
-5.394417
-2.781277
-4.334485
other
Zn1Ga1Cu3Se4
9
215
191.34
mp-1182175
-5.13011
-3.107566
-4.178936
other
Ba1In1Cu3Se4
9
215
256.74
mp-1179860
-5.169726
-2.921933
-4.206801
other
Na1Cu3Sn1Se4
9
215
226.12