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-861716
13.822512
7.956746
-0.932783
other
Li12Fe12Si18O54
96
145
1,095.73
mp-1044526
8.782559
0.841843
1.087044
other
Ba6Y3Cu6F33
48
145
747.12
mp-1044800
9.467761
2.204363
1.641058
other
Ba6Al3V6F33
48
145
706.16
mp-1044845
9.386534
1.509489
1.565241
other
Ba6Al3Fe6F33
48
145
698.63
mp-1044573
9.154681
2.151734
1.722521
other
Ba6Ti6Al3F33
48
145
682.77
mp-1049234
8.838882
1.657542
1.55556
other
Ba6Y3Cr6F33
48
145
766.17
mp-772645
13.585147
7.437772
-0.887558
other
Li12Mn12Si18O54
96
145
1,123.74
mp-558753
13.594499
4.592867
-2.339435
other
Bi3B6O12F3
24
145
260.89
mp-1044893
9.175283
2.22736
1.674817
other
Ba6Y3V6F33
48
145
756.64
mp-776389
10.686344
2.997457
1.852693
other
Li3V6O3F15
27
145
328.7
mp-1221472
9.781305
1.827541
1.67951
other
Na12Mn6V6F42
66
145
926.21
mp-1044915
8.910757
0.823164
1.007332
other
Ba6Y3Ni6F33
48
145
722.42
mp-1048842
9.051771
2.285604
1.603573
other
Ba6Y3W6F33
48
145
815.6
mp-561318
9.016414
0.758454
0.97971
other
Ba6Al3Cu6F33
48
145
684.35
mp-1049241
9.178253
1.540208
1.608298
other
Ba6Y3Fe6F33
48
145
745.78
mp-1049278
8.973489
0.901528
1.231784
other
Ba6Y3Co6F33
48
145
739.82
mp-776587
14.476192
5.307878
-2.715416
other
Li6Mn9B9O27
51
145
558.24
mp-1044546
8.787658
1.698104
1.405379
other
Ba6Al3Sn6F33
48
145
822.47
mp-1265127
12.490133
7.156012
-1.425027
other
Li12Si18Ni12O54
96
145
1,047.55
mp-1044611
9.010767
2.097139
1.709001
other
Ba6Y3Ti6F33
48
145
728.42
mp-1044860
9.17361
2.31954
1.611162
other
Ba6Al3W6F33
48
145
783.27
mp-1044569
8.677753
1.740543
1.508145
other
Ba6Y3Sn6F33
48
145
839.06
mp-1261131
13.816011
7.952296
-0.929838
other
Li12Fe12Si18O54
96
145
1,098.45
mp-771878
14.067276
9.057514
-6.830525
other
Mn1V5P6O24
36
146
453.9
mp-774535
14.305962
6.054385
-7.079861
other
Ti1Nb3P6O24
34
146
496.51
mp-770858
14.285809
9.023086
-6.37414
other
V5Cr1P6O24
36
146
445.16
mp-2218730
-5.297125
-1.418311
-3.581042
other
Mg1Ni4As4S4
13
146
209.42
mp-763497
14.669207
7.902234
-5.577159
other
Li4V4P12O36
56
146
875.96
mp-772128
11.839304
8.123926
-8.075593
other
Mn5Nb1P6O24
36
146
469.04
mp-1221822
9.835281
12.07495
-1.401972
other
Mn3Co3Te2O12
20
146
242.66
mp-2217145
11.558779
13.267012
-1.651421
other
Mg1V2Ni1O6
10
146
101.92
mp-1216346
-2.82076
-2.473619
-5.893134
other
Y18Al2Ge6S42
68
146
1,467.32
mp-775437
11.564591
9.253192
-7.051602
other
V3P6W1O24
34
146
466.81
mp-1218365
9.21427
11.73836
0.830948
other
Sr1Cr2Bi1O6
10
146
123.45
mp-769514
8.186355
14.505545
-1.084772
other
Li9Mn12Cu3O32
56
146
569.79
mp-2218665
-6.372873
-2.766228
-0.336883
other
Mg1Ni4Sb4S4
13
146
239.74
mp-774344
11.177606
8.177071
-8.030285
other
Mn5Sn1P6O24
36
146
462.61
mp-850365
9.928033
8.012269
-6.558522
other
Ni5Te1P6O24
36
146
446.05
mp-1235435
9.94904
8.427504
2.456225
other
Li1Gd6In2O12
21
146
314.62
mp-1215303
11.144193
11.093188
-3.457834
other
Zr3Mo3W3O24
33
146
525.45
mp-1218518
10.217663
10.571746
3.428128
other
Sr3La1Nb3O12
19
146
262.62
mp-773066
14.482961
5.122226
-6.979293
other
K3Ta6P3O24
36
146
532.13
mp-1223523
1.2613
2.190883
-3.977195
other
K1Lu1Nb6Cl18
26
146
650.92
mp-1047200
12.529445
11.509392
-0.831504
other
V1Zn2W1O6
10
146
113.87
mp-1222711
9.657501
11.208358
-1.152145
other
Li2Ge1Te1O6
10
146
109.02
mp-773874
11.531361
7.364283
-7.065375
other
Cu1Sb3P6O24
34
146
471.44
mp-773504
12.85869
8.886639
-7.246832
other
V3Sb2P6O24
35
146
481.61
mp-1236208
12.259679
10.66327
0.574738
other
Li1Sm4Mo4O14
23
146
302.24
mp-1233060
9.759465
8.556672
-0.42892
other
Mg1Al1Bi12O20
34
146
560.8
mp-651087
11.330914
7.626978
0.81714
other
Gd13Ge6O31F1
51
146
722.68
mp-776341
12.741765
8.652146
-6.295523
other
Mn1P6W3O24
34
146
499.07
mp-1221899
9.967163
12.804122
-0.629511
other
Mn2Fe1Sb1O6
10
146
115.54
mp-757955
11.670768
7.687223
-8.01502
other
Li9Mn3P6O24
42
146
466.73
mp-850286
12.299477
8.610626
-6.160634
other
Ni1P6W3O24
34
146
488.46
mp-775219
10.032068
8.168362
-6.421533
other
Cr3P6W1O24
34
146
467.77
mp-790062
14.505157
8.912064
-6.024375
other
V5Sn1P6O24
36
146
463.12
mp-775436
9.722393
7.80374
-5.889003
other
Ti3Fe1P6O24
34
146
478.83
mp-780106
9.412704
8.169585
-6.014369
other
Fe3Ni3P6O24
36
146
446.87
mp-778504
14.622332
8.050523
-4.964947
other
Ti5Ni1P6O24
36
146
428.24
mp-771940
9.126251
7.989666
-5.725214
other
Cr1Ni5P6O24
36
146
439.64
mp-885510
14.561883
8.93388
-5.8252
other
Ti1V5P6O24
36
146
452.96
mp-768351
9.522974
8.334891
-6.24227
other
V1Ni5P6O24
36
146
408.95
mp-774586
14.129
6.214715
-6.985169
other
Nb3Sb1P6O24
34
146
519.91
mp-1221959
11.459331
12.652854
1.555359
original
Mg2Ti4Mn2O12
20
146
217.76
mp-771903
10.36309
8.252945
-6.983483
other
Fe5Cu1P6O24
36
146
437.11
mp-775217
11.541781
7.535695
-7.146055
other
Co1Sb3P6O24
34
146
464.25
mp-550745
10.722393
10.004795
0.615038
other
Ti4Fe4Bi8O24
40
146
530.18
mp-1176461
9.978523
8.324862
-6.880316
other
Mn3Cu3P6O24
36
146
435.27
mp-1220763
13.995866
5.524907
-7.748343
other
Nb3Al1P6O24
34
146
486.7
mp-771947
10.757932
8.361774
-7.795094
other
Mn5Fe1P6O24
36
146
448.54
mp-2224191
9.620818
8.646461
-0.014948
other
Mg1Cd2Bi2O6
11
146
172.72
mp-26577
11.966271
7.51718
-7.495694
other
Li6Ni6P6O24
42
146
500.89
mp-1120818
6.123913
11.635376
-1.371553
other
Na1Ni2Bi1O6
10
146
106.73
mp-2217870
7.988379
13.370445
-0.733782
other
Mg1Zn2Fe2O6
11
146
117.46
mp-2240231
9.608974
8.644551
-0.427308
other
Mg1Hg2Bi2O6
11
146
172.98
mp-1228984
-3.922546
-2.437181
-3.613045
other
Al1Cu1P2Se6
10
146
236.87
mp-775489
13.134871
8.661311
-6.142265
other
Cr1P6W3O24
34
146
486.53
mp-2217094
11.743163
1.745043
2.236617
other
Mg1Fe3O3F3
10
146
116.5
mp-775202
12.279454
7.170022
-7.115562
other
Cr1Sb3P6O24
34
146
474.17
mp-11016
6.375174
5.049822
-4.486807
other
Rb1Cd1N3O6
11
146
166.38
mp-11018
6.458239
5.050808
-4.475081
other
Tl1Cd1N3O6
11
146
165.89
mp-1047226
11.320408
10.60106
-0.087939
other
Ca2Bi1W1O6
10
146
155.34
mp-11017
6.381051
5.051897
-4.457313
other
K1Cd1N3O6
11
146
161.99
mp-2228497
10.5981
7.873464
-3.562355
other
Mg1Ag3As2O8
14
146
240.39
mp-1224434
-2.766581
-2.460065
-5.815412
other
La18In2Si6S42
68
146
1,638.33
mp-771988
10.076017
8.425756
-7.108794
other
Mn3Co3P6O24
36
146
438.28
mp-2217287
12.670415
11.365312
1.165482
other
Mg1Ti2Mn2O6
11
146
121.36
mp-768296
13.156329
6.109156
-7.182899
other
Ti3Bi2P6O24
35
146
484.31
mp-1280692
11.598979
13.527963
-1.597005
other
Li4V6Co2O16
28
146
296.5
mp-776740
8.645514
12.770931
-1.611181
other
Li4Mn2W2O12
20
146
199.91
mp-1272744
11.053999
11.855686
-1.781518
other
Zn4Co2W2O12
20
146
224.08
mp-1219290
-2.880677
-2.466117
-5.882419
other
Sm18Al2Si6S42
68
146
1,498.95
mp-772023
9.827891
7.883316
-6.329907
other
Nb1Ni5P6O24
36
146
450.59
mp-1120815
8.836224
13.159451
-1.305357
other
Na1Cr2Bi1O6
10
146
115.61
mp-772995
11.581563
12.731474
1.278172
other
Li7Ti12Fe5O32
56
146
619.48
mp-1047117
10.67862
11.967764
-1.567819
other
Mg4Co2W2O12
20
146
220.87
mp-774426
13.819717
5.800318
-7.576203
other
Nb3Cr1P6O24
34
146
493.49
mp-2218868
-6.458789
-2.772216
-0.189126
other
Mg1Co4Sb4S4
13
146
226.03
mp-752647
12.528369
7.223509
-7.472246
other
Ti3Ni3P6O24
36
146
439.9
mp-1305316
13.988257
7.272991
-6.292672
other
Li1Fe1P3O9
14
146
218.96