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-554278
10.529341
12.393619
2.077281
other
Ti4O8
12
12
146.71
mp-1073254
-2.591597
-5.37318
7.006282
other
Mg2Si4
6
12
108.1
mp-1071565
-3.611783
-7.494477
2.063102
other
Ca2C4
6
12
2,404.73
mp-1094822
-6.309264
-5.726335
0.549136
other
Mg2Bi4
6
12
173.67
mp-27455
1.219669
1.883331
-5.140343
other
Y2Cl6
8
12
255.58
mp-1094274
-4.942836
-7.479499
3.869835
other
Sr2Mg2
4
12
147.23
mp-1077305
2.002212
2.66359
-4.159439
other
Tl2Cl4
6
12
2,316.07
mp-1969
-5.834528
-3.302651
1.641532
other
Nb2Sb4
6
12
137.99
mp-12561
-5.351023
-2.568408
2.203993
other
Ta2As4
6
12
108.45
mp-1185756
-7.639923
-9.435739
3.863937
other
Mg4Ag2
6
12
119.85
mp-1185905
-6.622126
-6.847326
2.878736
other
Mg2In4
6
12
145.34
mp-1072660
-5.919604
-2.119357
1.486571
other
V2As4
6
12
96.2
mp-1203
12.745186
9.913888
2.12885
other
Ti5O5
10
12
107.45
mp-1343966
6.958833
13.206421
-1.933326
other
Co9O13
22
12
247.09
mp-1863
-4.396985
-5.15773
0.505773
other
Si6As6
12
12
288.36
mp-684711
-3.923357
-1.432464
-3.56875
other
Zr15S20
35
12
695.47
mp-971673
-3.864602
-1.63673
-5.176666
other
Bi4S8
12
12
298.25
mp-1038906
-6.466741
-7.194642
1.317231
other
Mg4Bi2
6
12
157.47
mp-1094501
-4.264324
-3.768704
4.588714
other
Mg2Ti2
4
12
76.49
mp-567929
-7.085993
-2.221194
6.22893
other
Al13Os4
17
12
258.93
mp-1061823
-3.636551
-7.553842
2.04782
other
Ca1C2
3
12
2,689.16
mp-1181781
7.249059
7.811775
-3.098989
other
Co1O2
3
12
133.09
mp-27182
-0.515315
0.706834
-3.685601
other
Gd2Br6
8
12
302.46
mp-1094458
-7.698832
-10.75726
4.92423
other
Mg4Zn2
6
12
119.67
mp-647924
7.409532
9.18683
0.148684
other
Eu6O9
15
12
223.97
mp-2717
-8.625857
-1.529652
2.970986
other
Zr4Ni14
18
12
227.11
mp-1094152
-4.273327
-4.977953
-3.418503
other
Ce14Se28
42
12
3,536.72
mp-1063764
-4.614657
-3.140166
-3.617435
other
Bi2Se2
4
12
222.91
mp-1080371
-4.269955
-4.97711
-3.421322
other
Ce28Se56
84
12
7,549.58
mp-2647063
1.942773
2.692645
-4.602145
other
Ru4Cl12
16
12
405.24
mp-1245211
12.584643
7.509742
0.535467
other
Al16O24
40
12
366.88
mp-1207993
-8.098598
-6.172548
6.326122
original
Tm10Ga6
16
12
391.31
mp-1722
-9.604874
-5.281839
3.269804
other
Zn13Fe1
14
12
197.29
mp-1180210
6.887122
5.788
-3.551001
other
Na2O10
12
12
169.45
mp-558573
10.041959
8.498386
3.247502
other
Y6O9
15
12
206.12
mp-1078796
-4.951429
-4.70382
0.265639
other
Eu2As6
8
12
191.57
mp-1203489
-7.545435
-3.274738
5.597844
other
Al39Rh12
51
12
803.91
mp-541594
-5.622627
-4.712256
1.771038
other
Sc32Te12
44
12
1,055.13
mp-1094621
-6.648064
-9.349725
4.800576
other
Mg2Ga2
4
12
77.89
mp-1213313
-6.032108
-7.154182
3.990193
other
Eu10Ga6
16
12
515.05
mp-1399565
9.268841
13.458932
-1.967694
other
Cr2O4
6
12
70.33
mp-1094419
-7.23288
-6.87755
6.666635
other
Y4Mg2
6
12
180.81
mp-1094110
1.044645
2.243102
-4.727314
other
Ni5Cl6
11
12
187.1
mp-504759
8.999067
2.631711
0.213872
other
Mo4F20
24
12
336.52
mp-1187902
-6.089803
-7.364587
4.566801
other
Yb4Mg2
6
12
206.45
mp-1095302
-4.514178
-2.788517
-3.581323
other
Bi4Se8
12
12
348.06
mp-27871
-0.521432
1.241541
-4.23755
other
Rh2Br6
8
12
217.16
mp-11675
-5.416778
-2.052517
-1.528598
other
Nb3Te6
9
12
249.29
mp-1274279
12.635028
11.345061
0.135169
other
Fe4O4
8
12
84.99
mp-1193055
-5.634846
-6.426988
4.457581
other
Ca13Al14
27
12
698.58
mp-964
-5.55819
-0.21209
-5.470392
other
Cr6S8
14
12
242.07
mp-1069751
-7.12216
-2.418499
4.589421
other
Pr2Os3
5
12
120.71
mp-542449
0.653606
1.145594
-3.738183
other
Sc5Cl8
13
12
319.19
mp-1078239
-1.053993
1.519145
-3.873168
other
W2Br8
10
12
290.2
mp-558564
15.37138
5.73443
0.237357
other
Si12O24
36
12
687.65
mp-510285
-4.886627
-2.494836
2.570724
other
Ti33Se12
45
12
749.81
mp-1062648
-8.119367
-8.159961
3.308347
other
Tb1Hg2
3
12
76.03
mp-27153
-0.534842
0.59075
-3.680224
other
U2Br8
10
12
363.28
mp-1191079
-5.096842
-2.170364
2.563957
other
Ti14P8
22
12
326.8
mp-1179538
-3.499195
-8.130476
1.902077
other
Sr2N1
3
12
2,631.02
mp-1073656
-2.478258
-5.465856
7.046839
other
Mg4Si8
12
12
232.36
mp-1210677
-8.496119
-2.552896
4.021011
other
Mg10Ir15
25
12
407.97
mp-826024
9.005432
10.953662
-4.233312
other
V4O12
16
12
268.16
mp-1094674
-7.007219
-10.624629
5.090207
other
Mg4Ga2
6
12
124.52
mp-696673
-5.397115
-1.681358
-3.837516
other
Cr7Se8
15
12
294.6
mp-1094454
-7.873564
-9.452571
6.938997
other
Y2Mg4
6
12
156.93
mp-695850
1.320763
2.306665
-5.441058
other
Cd1Cl2
3
12
79.64
mp-1337
-5.846954
-1.762505
1.988718
other
Mo2As4
6
12
101.82
mp-27160
1.804906
2.848989
-4.541761
other
W6Cl30
36
12
990.39
mp-1179358
8.874164
10.839204
0.113698
other
Ti6O14
20
12
606.21
mp-1103057
-7.953626
-4.0736
1.687118
other
Ge2Pd10
12
12
179.94
mp-1094619
-7.050495
-10.664596
5.083378
other
Mg4Ga2
6
12
124.09
mp-9923
-5.470535
-1.340702
1.842973
other
V2P4
6
12
81.78
mp-981252
-7.706356
-9.929036
6.723677
other
Y1Mg5
6
12
146.55
mp-1104418
3.31829
-0.609253
-2.17951
other
H12W2
14
12
103.29
mp-29055
-5.321725
-5.876649
0.479681
other
K2Sb4
6
12
216.36
mp-1207855
-6.149446
-2.086699
-1.550985
other
V5Te8
13
12
329.66
mp-1262925
-2.506931
-5.54989
7.282025
other
Mg8Si12
20
12
354.25
mp-29973
1.4858
1.742058
1.378195
other
Sr4N4
8
12
172.25
mp-773019
9.887864
12.549959
-4.251773
other
V12O29
41
12
526.85
mp-1388338
7.704657
10.485484
-3.533774
other
Cr3O8
11
12
148.2
mp-569867
-3.596307
-4.13972
0.631471
other
Sr4P12
16
12
358.83
mp-637631
-2.647874
-2.842593
-5.513242
other
Tm15S22
37
12
831.11
mp-29841
-5.350066
-1.003956
-3.591485
other
Rh9S12
21
12
335.61
mp-1193047
1.875861
2.688965
-4.790822
other
Cr6Cl18
24
12
658.72
mp-1206058
1.973899
2.637406
-5.081123
other
Tl2Cl6
8
12
234.21
mp-18896
11.085116
13.280224
-3.396504
other
V12O26
38
12
434.36
mp-646039
-9.176415
-4.777719
3.705295
other
In14Cu20
34
12
548.21
mp-18622
-5.231832
-2.706855
3.101792
other
Hf14P8
22
12
390.46
mp-28910
-5.400581
0.018628
-5.559388
other
Cr2S4
6
12
202.52
mp-1178810
-7.462123
-1.428762
3.727408
other
V16Ir16
32
12
445.89
mp-618813
-0.234009
0.617234
-3.026227
other
Gd4Br6
10
12
317.03
mp-1062652
5.348843
11.305992
-2.534982
other
Fe1O2
3
12
35.6
mp-541404
12.17008
13.28308
-2.321905
other
V4O8
12
12
135.44
mp-1220830
0.52365
1.40104
2.902153
other
Nb12N11
23
12
261.72
mp-1101301
9.478171
10.365941
-2.267778
other
Te4O12
16
12
222.12
mp-11696
-5.826306
-1.446426
2.295343
other
As6W4
10
12
175.05
mp-583740
-5.192475
-2.690567
2.789843
other
Zr14P8
22
12
411.34
mp-1103125
-2.658381
-2.774389
-5.403949
other
Dy5S7
12
12
272.48
mp-569766
-5.265114
-2.144712
-2.257827
other
Te4I4
8
12
330.19