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-1095005
-5.193908
-7.361323
3.953485
other
Ca4Mg2
6
12
213.4
mp-638253
-6.823106
-6.619804
3.343174
other
Eu2In8
10
12
278.73
mp-1097059
0.692428
3.074294
1.553841
other
Cr28N56
84
12
2,015.39
mp-570451
-5.450804
-2.065763
-1.45864
other
Nb4Te6
10
12
251.37
mp-1091391
-6.31405
-7.330492
2.528332
other
Ba2Tl8
10
12
325.69
mp-755769
10.812991
10.094021
3.767267
other
Zr4O8
12
12
178.35
mp-1205447
0.200061
2.205805
2.273444
other
Mo8N8
16
12
181.66
mp-18922
8.635415
14.703414
-1.18031
other
Mn5O8
13
12
135.66
mp-1186686
-7.362609
-6.902303
7.004089
other
Pr4Mg2
6
12
194.74
mp-1094901
-7.367933
-7.10599
2.538078
other
Mg2Cd4
6
12
126.85
mp-655547
6.256195
8.705115
-1.44472
other
Pb4O6
10
12
165.41
mp-13363
-7.356926
-3.440428
3.055904
other
Si2Pt6
8
12
119.33
mp-1094635
-7.041885
-10.617619
5.057586
other
Mg4Ga2
6
12
122.53
mp-1181909
6.705822
8.621682
-2.227964
other
Ca1O2
3
12
42.13
mp-976262
-6.2375
-9.238059
4.455423
other
Li3Mg3
6
12
122.2
mp-1102510
-2.655686
-2.783153
-5.44535
other
Ho5S7
12
12
268.32
mp-1039108
-6.309628
-10.422593
5.79571
other
Ca2Mg4
6
12
171.25
mp-1198423
-7.780098
1.052847
4.996075
other
Ho3Fe29
32
12
411.44
mp-1248087
-3.69691
-4.91023
5.938373
other
Si6Ag2
8
12
133.9
mp-32564
6.955187
8.340085
-2.49299
other
Nd2O6
8
12
111.81
mp-1206891
-0.988176
2.437839
-3.368379
other
Rh2I6
8
12
277.33
mp-27258
-3.27446
-3.685811
0.295807
other
P6Au4
10
12
191.61
mp-1077948
-5.867203
-3.184036
-1.504974
other
Te4Pt3
7
12
275.72
mp-1073593
-2.526627
-5.387709
7.105384
other
Mg4Si8
12
12
210.26
mp-555159
9.69327
8.473639
3.114865
other
Pr6O9
15
12
243.08
mp-1185867
-5.683909
-5.661517
3.11356
other
Mg2Ge4
6
12
122.73
mp-27708
-1.238566
1.186442
-3.515453
other
Bi8I8
16
12
691.92
mp-1185877
-7.475036
-7.462906
2.087562
other
Mg2Hg4
6
12
133.58
mp-1207735
-7.305824
-6.394437
6.258371
other
Y32Te12
44
12
1,320.26
mp-27397
-0.554349
1.192312
-4.183207
other
Ir2Br6
8
12
220.12
mp-1217971
-5.334745
-2.228014
3.40096
other
Ta2H1
3
12
38.19
mp-21042
-6.029751
-2.964552
-1.356753
other
Te4Pt3
7
12
242.09
mp-583168
-6.453669
-6.580756
2.174121
other
Na8Sn16
24
12
707.92
mp-1102847
-2.64757
-2.853868
-5.401994
other
Tm5S7
12
12
260.41
mp-1186484
-7.181892
-7.191485
6.499158
other
Pm4Mg2
6
12
186.41
mp-1077116
-5.007918
-2.230416
2.007684
other
Nb2P4
6
12
97.24
mp-1073083
-2.25668
-5.645016
7.339967
other
Mg4Si6
10
12
179.01
mp-1095187
12.968073
10.025539
1.915157
other
Nb4O6
10
12
119.2
mp-1207439
-9.295837
-5.60249
4.09785
other
Zr5Zn39
44
12
661.75
mp-569141
-7.801179
-6.332679
6.439566
other
Lu33Te12
45
12
1,208.62
mp-1094369
-6.958883
-8.703848
6.533636
other
Mg4Ti2
6
12
122.21
mp-568172
1.69873
1.683239
1.368279
other
Ca9N6
15
12
259.09
mp-1179363
9.710971
11.290995
-4.068376
other
V3O8
11
12
160.28
mp-1099574
-4.233374
-4.960875
-3.403287
other
Ce16Se32
48
12
4,527.84
mp-1217312
-1.104132
2.166177
-3.14082
other
Te1I4
5
12
232.25
mp-1179239
-2.249829
-8.37468
2.091083
other
Tb2Fe4
6
12
147.6
mp-1218017
-4.052146
-0.219245
-3.364805
other
Ta5S8
13
12
240.13
mp-568306
-2.181733
-5.821769
7.418179
other
Mg5Si6
11
12
197.51
mp-27630
1.793639
2.596084
-4.941847
other
Cr2Cl6
8
12
186.87
mp-1104327
-5.421533
-1.620442
-3.798401
other
Cr5Se8
13
12
266.14
mp-1079159
12.841491
9.88142
1.869912
other
Ta4O6
10
12
117.53
mp-1185878
-7.426041
-7.526489
2.05519
other
Mg2Hg4
6
12
139.07
mp-2623
-5.828626
-1.670826
2.044881
other
V8As6
14
12
219.2
mp-1039319
-7.225358
-10.730184
4.694072
other
Mg4Cd2
6
12
129.6
mp-27770
1.767542
2.592146
-4.582762
other
Rh2Cl6
8
12
183.45
mp-1205852
0.670318
1.056054
-3.520736
other
Tb4Cl6
10
12
264.52
mp-1100461
-2.50821
-5.407053
7.085241
other
Mg2Si4
6
12
106.86
mp-15670
-2.683646
-2.762385
-5.445845
other
Y5S7
12
12
274.73
mp-1180106
-3.558764
-1.796253
-4.159035
other
Na1S1
2
12
302.71
mp-1203015
-0.941314
1.01789
-3.783392
other
Ta6Br30
36
12
1,210.14
mp-1039008
-6.415866
-5.927599
5.700344
other
Ce4Mg2
6
12
148.45
mp-1078708
1.590498
2.5958
-4.435054
other
Tc2Cl6
8
12
190.22
mp-1073294
-2.589513
-5.41701
6.978743
other
Mg4Si8
12
12
224.44
mp-30985
-0.248753
0.518189
-2.80411
other
Tb6Br7
13
12
390.54
mp-1077889
-4.115304
-0.036262
2.192454
other
Ir2C4
6
12
70.05
mp-1039467
-5.192077
-7.360062
3.967752
other
Ca4Mg2
6
12
210.28
mp-28704
-6.068826
-1.639329
1.651841
other
Cr8As6
14
12
210.74
mp-727323
-3.290874
-2.105577
-5.548062
other
Pb2S2
4
12
198.8
mp-1075771
-2.878931
-7.736985
7.545614
other
Mg6Si4
10
12
199.06
mp-1551
-6.22126
-2.426248
-0.56613
other
Te6Ir3
9
12
218.24
mp-1185928
-6.303545
-7.017206
2.365205
other
Mg2Pb4
6
12
172.79
mp-570920
-7.378069
-0.056437
4.289074
other
Ga10Fe12
22
12
290
mp-32749
6.736088
8.73951
-2.403886
other
Nd2O6
8
12
95.35
mp-714929
9.273506
13.500908
-1.962155
other
Cr2O4
6
12
69.92
mp-1094489
-7.665624
-10.805447
4.948935
other
Mg4Zn2
6
12
119.54
mp-1094600
-6.930086
-11.046674
5.517204
other
Li2Mg4
6
12
129.09
mp-601823
-5.437833
-2.188245
-1.414832
other
Ta3Te6
9
12
250.14
mp-7281
-8.156447
-6.196826
6.397954
other
Dy6Ni4
10
12
221.12
mp-1065846
-0.007877
0.645507
-2.938426
other
Zr2Br2
4
12
104.62
mp-1221495
1.818101
2.961925
-4.501343
other
Mo4Cl12
16
12
384.42
mp-643542
-5.719993
-5.829212
3.649886
other
Ca1Ge2
3
12
72.56
mp-1147
12.804614
11.469286
1.920771
other
Ti6O10
16
12
173.76
mp-1092293
-6.886987
-4.66056
0.482247
other
Bi2Pt1
3
12
83.41
mp-9907
-4.881204
-4.787855
0.298051
other
Sr2As6
8
12
204.16
mp-1237483
-3.504166
-7.61957
6.83307
other
Mg8Si6
14
12
556.55
mp-1192044
1.221513
1.969811
-4.403043
other
Zr6Cl18
24
12
1,025.69
mp-1179649
-3.369494
-7.142011
0.878721
other
Sn4As3
7
12
1,387.3
mp-583234
-6.153543
-5.472821
0.248854
other
Bi16I4
20
12
769.94
mp-1073413
-2.644926
-5.322224
7.051498
other
Mg4Si8
12
12
208.14
mp-1101463
12.813802
10.083787
1.955321
other
Ti11O14
25
12
255.61
mp-1211583
-0.301315
0.625044
-0.135009
other
K2C4
6
12
143.89
mp-1215090
-7.172724
-2.496108
5.903892
other
Al38Co12
50
12
706.26
mp-2500
-8.870141
-4.298454
4.47088
other
Al5Cu5
10
12
136.38
mp-1185779
-7.801445
-8.873528
6.294361
other
Mg4Sc2
6
12
139.29
mp-1025442
-1.130367
2.32422
-3.248696
other
Ir2I6
8
12
279.59
mp-7048
12.535045
7.509878
0.494433
other
Al4O6
10
12
93.38
mp-7598
-5.508236
-2.485971
2.164762
other
Nb2As4
6
12
110
mp-1100451
-2.675078
-6.734008
7.654402
other
Mg6Si6
12
12
211.83
mp-1096912
0.688127
3.078468
1.554265
other
Cr14N28
42
12
966.39
mp-1072645
-5.730677
-2.208083
5.23705
other
Si4Os2
6
12
84.94