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-1207798
0.547297
0.751122
-3.183665
other
Y12B4Cl12
28
214
643.25
mp-1209858
-0.114561
0.496991
-2.78687
other
Pr12Ir4Br12
28
214
891.19
mp-1208487
0.589006
0.916604
-3.330726
other
Tb12B4Cl12
28
214
648.2
mp-1212738
-0.076417
0.658003
-2.659328
other
Gd12Si4Br12
28
214
799.78
mp-29998
-0.978098
0.850781
-1.557404
other
La12Sb4I12
28
214
1,085.87
mp-1209814
-0.112709
0.506109
-2.960684
other
Pr12Os4Br12
28
214
885.04
mp-1211485
-1.011117
0.870062
-1.522509
other
La12Au4I12
28
214
1,058.14
mp-29997
-1.123304
0.936067
-1.246414
other
La12As4I12
28
214
1,014.56
mp-1213927
-0.310393
0.257486
-2.832443
other
Ce12P4Br12
28
214
851.08
mp-30232
-0.15828
0.575139
-2.820263
other
Tb12Si4Br12
28
214
775.24
mp-1210981
-0.309961
0.372973
-2.654902
other
La12P4Br12
28
214
879.16
mp-1207808
-0.163439
0.595326
-2.884406
other
Y12B4Br12
28
214
707.54
mp-640274
-7.663383
-4.604415
3.089295
other
La24Sn104Rh32
160
214
3,851.03
mp-1208807
-0.941235
1.901129
-1.765012
other
Sr12Sb4I12
28
214
1,213.56
mp-1211457
-0.280494
0.64898
-2.861063
other
La12Si4Cl12
28
214
855.01
mp-31317
-0.964201
0.846293
-1.519621
other
La12Pb4I12
28
214
1,108.6
mp-1211402
-0.902443
0.913838
-1.567017
other
La12Si4I12
28
214
1,030.15
mp-1210173
-0.051155
0.511893
-2.878563
other
Pr12Co4Br12
28
214
863.96
mp-1214080
-1.034838
2.016849
-2.097209
other
Ca12Sb4I12
28
214
1,050.96
mp-1209799
-0.157592
0.445603
-2.766597
other
Pr12C4Br12
28
214
761.77
mp-1211477
-0.312112
0.426231
-2.809665
other
La12As4Br12
28
214
906.43
mp-1211495
-1.005014
0.947721
-1.437142
other
La12Pt4I12
28
214
1,037.26
mp-1209785
-0.232356
0.474144
-2.687481
other
Pr12Pt4Br12
28
214
903.24
mp-1214632
-0.967143
1.95239
-1.728744
other
Ba12Sb4I12
28
214
1,433.49
mp-3172
-4.563626
-2.425198
-4.248676
other
Ag12Au4Se8
24
214
505.34
mp-1192912
-0.12528
0.470167
-2.89578
other
La12Ru4Br12
28
214
910.8
mp-1209777
-0.266379
0.441951
-2.48488
other
Pr12P4Br12
28
214
848.62
mp-1214087
-1.076174
1.719937
-2.070223
other
Ca12As4I12
28
214
977.78
mp-1192721
-0.162539
0.437177
-2.794999
other
La12Ir4Br12
28
214
920.44
mp-1208486
-0.168573
0.492327
-2.949704
other
Tb12B4Br12
28
214
711.95
mp-1211508
-1.011754
0.983134
-1.555125
other
La12Ir4I12
28
214
1,023.55
mp-1192762
-1.052752
1.146537
-1.744735
other
Ce12Ir4I12
28
214
971.93
mp-1212672
-0.2613
0.540445
-2.852648
other
Gd12B4Br12
28
214
737.69
mp-1209846
-1.006826
1.018324
-1.459263
other
Pr12Ir4I12
28
214
992.58
mp-1214037
-0.906012
1.113086
-1.780904
other
Ce12Si4I12
28
214
952.82
mp-29995
-0.15108
0.620636
-2.705918
other
La12Si4Br12
28
214
919.74
mp-28133
0.445502
0.76927
-3.00812
other
Gd12C4Cl12
28
214
626.62
mp-1079594
-4.723811
-3.430711
-3.987065
other
Ca3Zn1Se4
8
215
259.92
mp-1078780
-4.219633
-1.480778
-5.797413
other
Zn1Cd3S4
8
215
191.06
mp-21855
-5.425263
-2.631761
-3.922001
other
V1Cu3Se4
8
215
173.29
mp-985440
-3.288286
-3.86053
0.612639
other
Cr1Ga3P4
8
215
165.58
mp-850275
-3.531509
-1.19383
-5.48248
other
Li3Sb1S4
8
215
233.98
mp-1080726
-4.97301
-1.306695
-6.578661
other
Zn3Cr1S4
8
215
163.43
mp-5245
4.075805
2.173395
-3.0849
other
Zn2C4N4
10
215
210.27
mp-1178991
8.200636
7.464892
-4.108679
other
Ti4Si3O24
31
215
494.33
mp-1193623
7.935011
7.597843
-4.117697
other
Al4As3O23
30
215
451.9
mp-1029265
2.340837
2.656054
-2.521386
other
Mg4Zn2N4
10
215
412.6
mp-1120718
-4.594303
-1.602071
-6.368499
other
Mg1Zn3S4
8
215
162.31
mp-4043
-5.177951
-2.614264
-3.97656
other
Nb1Cu3Se4
8
215
181.83
mp-546320
8.258763
4.266043
-6.400045
other
Rb4C1O4
9
215
191.64
mp-1245666
4.213703
2.264343
-3.287262
other
Co2C4N4
10
215
191.28
mp-753982
-3.939676
-0.753335
-5.526699
other
Li3Cr1S4
8
215
209.46
mp-20545
-4.559022
-1.285404
-5.513746
other
Cu3As1S4
8
215
145.47
mp-1190586
5.338911
-0.487406
-2.99228
other
Na4B4H16
24
215
223.86
mp-1079533
-6.091575
-3.257134
-2.340932
other
Cr1Cd3Te4
8
215
279.45
mp-5621
-4.438294
-1.203975
-5.567917
other
Nb1Cu3S4
8
215
164.68
mp-2222869
7.064344
9.371562
-1.751553
other
Mg1Ag4O6
11
215
147.09
mp-991652
-6.289655
-2.823674
-2.14214
other
V1Cu3Te4
8
215
204.88
mp-1210972
10.372241
11.685699
-2.407756
other
Li12W7O28
47
215
615.87
mp-1246421
-1.810538
-7.523129
0.205326
other
Cr4Cd2N4
10
215
427.21
mp-1019743
2.659959
2.431315
1.575827
other
Ga3B1N4
8
215
80.08
mp-1120716
-5.946668
-3.472371
-2.383259
other
Cd1Hg3Te4
8
215
283.73
mp-1245492
4.286778
2.238436
-3.149662
other
Mn2C4N4
10
215
228.97
mp-1194890
-3.777409
-8.331078
7.002681
other
Mg63Si32Bi1
96
215
2,072.68
mp-981379
-4.580141
-1.647164
-6.410224
other
Zn3Cd1S4
8
215
167.38
mp-1019508
2.337041
2.153513
1.781003
other
Al1Ga3N4
8
215
89.42
mp-4077
4.220713
2.300581
-3.067697
other
Cd2C4N4
10
215
269.92
mp-1079702
-3.740937
-3.689246
0.774855
other
Cr3Ga1P4
8
215
161.09
mp-1079034
-5.180426
-2.81643
-4.20216
other
Zn3Cd1Se4
8
215
193.21
mp-1215060
-3.680503
1.46022
2.877877
other
Al4Cu22B26
52
215
497.9
mp-34337
9.007154
1.275671
-4.087223
other
H4N1Cl1
6
215
55.25
mp-551736
8.326726
4.151103
-6.637071
other
K4C1O4
9
215
158.51
mp-30707
-9.486464
-4.86168
3.126298
other
Zn36Ga5Ni8
49
215
698.03
mp-551886
9.006951
3.995633
-7.276806
other
Na4C1O4
9
215
106.4
mp-984629
-6.328214
-2.846367
-1.888571
other
Cr3Cd1Te4
8
215
256.71
mp-1087545
-6.252472
-3.202907
-2.277166
other
Zn3Cr1Te4
8
215
238.83
mp-4081
-5.208865
-2.581555
-4.002105
other
Ta1Cu3Se4
8
215
182.05
mp-9295
-6.081697
-2.91531
-2.120116
other
Ta1Cu3Te4
8
215
211.69
mp-1193690
8.675632
7.708271
-4.029727
other
Ge7H1O20
28
215
486.96
mp-1079228
-4.897572
-5.08283
-0.032432
other
Ga4Bi1As3
8
215
209.63
mp-1095638
-8.013971
-7.202847
4.609684
other
Li4Mg4Ir4
12
215
223.03
mp-1019378
2.393513
2.089293
1.872549
other
Al3Ga1N4
8
215
85.27
mp-1102584
-5.997883
-9.298449
4.919674
other
Ca4Mg4Fe3
11
215
297.1
mp-1245677
2.92243
2.625555
-2.926365
other
Mn4Cd2N4
10
215
405.82
mp-1198827
9.722226
10.799715
-3.138862
other
Li14W7O32
53
215
900.09
mp-1084796
-4.969065
-3.108579
-4.143353
other
Ca1Zn3Se4
8
215
212.01
mp-1019380
2.538077
2.27285
1.720686
other
Al3B1N4
8
215
75.09
mp-546202
8.882024
3.22513
-7.622311
other
Li4C1O4
9
215
70.94
mp-1105932
-3.95696
-5.465292
5.248568
other
Li8Mg4Si4
16
215
254.39
mp-1019740
3.341995
2.536661
0.711254
other
Ga1B3N4
8
215
58.13
mp-30134
-3.882311
-5.273275
5.797679
other
Li8Al3Si5
16
215
245.23
mp-760375
-3.751914
-0.575358
-5.472144
other
Li3V1S4
8
215
208.85
mp-991676
-6.107943
-2.869592
-2.103243
other
Nb1Cu3Te4
8
215
212.98
mp-1191059
5.49588
-0.479092
-3.05208
other
Zr1B4H16
21
215
211.97
mp-1095028
-5.299466
-2.475867
-4.160312
other
Zn3Cr1Se4
8
215
191.45
mp-1246873
2.667956
2.615872
-2.923321
other
Zn4Cd2N4
10
215
455.71
mp-1193500
7.463001
7.839211
-3.802346
other
Fe4As3O23
30
215
496.1
mp-1195870
8.087008
4.857162
-6.509739
other
Ni12C8O31
51
215
591.77
mp-3762
-4.570974
-1.121918
-5.519685
other
V1Cu3S4
8
215
154.84
mp-36248
8.852505
1.235727
-4.113598
other
H4Br1N1
6
215
64