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-603694
3.028522
2.412125
1.691521
other
Si12N16
28
159
290.12
mp-672289
2.736532
2.437899
1.618302
other
Ge12N16
28
159
348.22
mp-651332
-0.534464
1.441168
-3.977387
other
Se16Br64
80
159
3,159.45
mp-1178247
12.213779
11.774345
-0.081232
other
Fe12O12
24
159
257.33
mp-1015065
0.534968
2.381203
2.111419
other
Cr12N16
28
159
339.24
mp-764115
10.321649
12.510671
-4.138598
other
V18O42
60
159
1,009.66
mp-1080190
1.47072
1.89039
2.386856
other
Ti12N16
28
159
399.49
mp-2245
2.972032
2.341357
1.690594
other
Si12N16
28
159
292.43
mp-1216517
-3.497025
1.822297
2.866335
other
V3B100
103
16
783.84
mp-1104513
6.07986
2.756692
-2.822942
other
C11N4
15
16
91.52
mp-650841
-0.362898
1.30021
-4.344272
other
Ga12Br24
36
161
1,187.86
mp-31135
-3.542621
-5.331826
6.122486
other
Si38Te16
54
161
1,176.03
mp-1172859
7.706011
5.425136
-3.390498
other
P8O20
28
161
502.59
mp-669525
-7.154657
-4.224906
0.970865
other
Sb12Pd32
44
161
791.69
mp-570738
-1.142203
2.58191
-3.003596
other
Ga12I24
36
161
1,479.44
mp-651723
4.56657
2.407171
-3.355851
other
C10N8
18
161
278.58
mp-556660
5.028449
3.781056
-4.521797
other
C8O8
16
161
361.27
mp-562613
13.494057
7.207311
-6.138017
other
P8O20
28
161
405.21
mp-1063678
4.760393
-0.177672
-2.768554
other
H3S1
4
160
32.2
mp-574663
-1.186145
2.844837
-3.005531
other
Cd4I8
12
160
508.81
mp-32899
-3.92727
-1.440792
-5.561167
other
Li22S11
33
160
508.28
mp-1224319
-4.820799
-4.548134
0.099617
other
Ge1As3
4
160
90.08
mp-1188728
-1.207318
2.840051
-3.007005
other
Cd6I12
18
160
696.46
mp-1226960
-6.625288
-6.280868
6.24689
other
Ce3Er3
6
160
182.15
mp-755483
12.595924
7.463031
0.416596
other
Al2O3
5
160
45
mp-1200836
-4.844029
-1.790367
-6.731539
other
Zn18S18
36
160
735.02
mp-1079661
5.644571
2.085627
-2.568092
other
B1C7
8
160
47.49
mp-581412
-4.841445
-1.784537
-6.727222
other
Zn12S12
24
160
486.9
mp-581601
-4.841522
-1.78473
-6.727341
other
Zn12S12
24
160
486.99
mp-1224383
0.854645
1.21656
2.752379
other
Hf3N2
5
160
70.11
mp-1220129
-7.117048
-6.939104
7.387106
other
Nd3Dy3
6
160
202.51
mp-1060143
-4.903842
-6.433118
3.877441
other
Sr1U1
2
160
116.79
mp-1228795
-3.786031
-4.005345
0.248071
other
As1P1
2
160
39.12
mp-559374
-3.92704
-0.45872
-4.474831
other
Ti1S3
4
160
126.38
mp-1196782
-4.84168
-1.786435
-6.727883
other
Zn18S18
36
160
732.06
mp-1044721
9.897696
9.807345
-0.255944
other
Sn4O8
12
160
163.11
mp-1219744
-6.952517
-6.89835
7.338274
other
Pr3Y3
6
160
210.75
mp-555280
-4.841977
-1.743625
-6.705402
other
Zn6S6
12
160
234.59
mp-1080242
6.734411
4.297774
-3.693574
other
Pb3N4
7
160
142.03
mp-1222489
-6.316507
-6.086378
3.898016
other
Li3Ga14
17
160
335.3
mp-9813
-6.07618
2.233654
-5.410832
other
W1S2
3
160
57.01
mp-1197730
-1.155769
0.551096
2.362277
other
Si17C17
34
160
350.67
mp-570572
6.110172
2.256718
-3.207948
other
C3N4
7
160
70.75
mp-1057015
-3.205872
-2.168849
-5.558885
original
Pb1S1
2
160
53.37
mp-13150
3.191987
2.478979
0.594564
other
B1N1
2
160
18.29
mp-684606
-5.527496
-2.933049
-4.299048
other
Cu27Se20
47
160
909.83
mp-1227319
-6.310104
-5.560687
0.413142
other
Bi3Sb1
4
160
141.43
mp-554405
-4.844206
-1.746344
-6.712151
other
Zn5S5
10
160
195.64
mp-543011
-4.844667
-1.786363
-6.732447
other
Zn7S7
14
160
284.34
mp-1060884
-5.788211
-4.157527
3.541303
other
U1Cd1
2
160
47.06
mp-1218000
-4.240238
-0.367664
3.123444
other
Ta4C3
7
160
86.28
mp-1200848
-1.11072
0.597826
2.33453
other
Si25C25
50
160
525.08
mp-1066400
4.853961
3.036547
-3.342582
other
Na1N3
4
160
62
mp-19907
-4.757771
-2.729315
-3.900455
other
In2Se3
5
160
145.66
mp-9947
-1.155979
0.563205
2.359862
other
Si7C7
14
160
144.4
mp-1202959
-4.844012
-1.790329
-6.731514
other
Zn18S18
36
160
734.99
mp-7581
-6.557049
1.427207
-3.98638
other
Mo1Se2
3
160
65.49
mp-1201781
-4.841695
-1.786474
-6.727906
other
Zn18S18
36
160
732.09
mp-1434
-5.219835
1.462902
-4.359889
other
Mo1S2
3
160
56.92
mp-1199343
-4.842645
-1.787016
-6.72944
other
Zn18S18
36
160
732.32
mp-19954
-6.618294
-1.698447
5.693572
other
Al16Cr10
26
160
373.36
mp-1221203
-6.102504
-7.410755
2.524355
other
Na3Tl4
7
160
217.66
mp-570804
-1.112682
0.603675
2.334242
other
Si13C13
26
160
273.17
mp-684964
-4.448662
-1.265566
-5.234226
other
Cu11S20
31
160
653.17
mp-1218916
-5.546238
-5.846012
0.656399
other
Sn1Sb1
2
160
75.78
mp-1094692
-5.960209
-8.086624
5.637898
other
Mg16Al13
29
160
576.02
mp-1044722
6.446984
8.913274
-1.328213
other
Bi4O8
12
160
174.1
mp-11713
-1.155818
0.555775
2.361305
other
Si5C5
10
160
103.14
mp-1443203
5.355813
11.217507
-2.325999
other
Fe4O8
12
160
143.98
mp-1044716
10.171654
9.839836
-0.804628
other
Sb4O8
12
160
227.37
mp-1080305
-4.239807
-4.436757
-3.408379
other
Ce2Se4
6
160
200.88
mp-1227290
-6.182539
-5.494906
0.438793
other
Bi1Sb1
2
160
68.25
mp-1222239
-9.048869
-1.561937
2.745249
other
Pr31Ni64
95
160
1,585.65
mp-1216778
-3.910666
-0.30936
-4.571764
other
Ti4S8
12
160
261.3
mp-581602
-4.842666
-1.785019
-6.729186
other
Zn12S12
24
160
486.98
mp-1070456
2.460658
2.411871
1.38352
other
Be3N2
5
160
33.98
mp-1201158
-4.84474
-1.790383
-6.732706
other
Zn18S18
36
160
734.84
mp-1220969
-3.99993
-4.896727
5.648184
other
Na1Si68
69
160
1,596.86
mp-1547
-5.500631
-1.042555
-3.925152
other
Ni3S3
6
160
81.53
mp-1408285
10.868598
12.460534
2.043722
other
Ti4O8
12
160
149.48
mp-581476
-4.841702
-1.785181
-6.727629
other
Zn12S12
24
160
487.23
mp-1091371
9.535667
8.581544
-0.561668
other
Bi4O6
10
160
182.68
mp-22691
-4.820639
-2.724556
-4.072642
other
In2Se2
4
160
122.08
mp-1011374
-4.227252
-4.363214
-3.398655
other
Ce1Se2
3
160
92.33
mp-1226250
-6.108247
-0.777201
3.53879
other
Cr1Mo3
4
160
61.16
mp-555858
-4.842865
-1.787564
-6.729471
other
Zn10S10
20
160
407.05
mp-557151
-4.841044
-1.782231
-6.726592
other
Zn8S8
16
160
323.74
mp-1225318
-7.30018
-0.808424
3.978442
other
Mn39In13
52
160
788.85
mp-32750
-1.307642
2.510764
-3.242153
other
Cu4I4
8
160
217.78
mp-27945
10.631042
8.928688
0.031995
other
Bi1O1
2
160
43.26
mp-13456
-4.842279
-1.744064
-6.706367
other
Zn5S5
10
160
195.52
mp-1217681
-7.079636
-6.758677
7.214634
other
Tb2Pr1
3
160
101.02
mp-570641
-1.115899
0.60553
2.334975
other
Si8C8
16
160
168.07
mp-556105
-4.841281
-1.783608
-6.726977
other
Zn10S10
20
160
405.31
mp-35216
-5.911645
-3.51343
-1.882656
other
Bi1Te3
4
160
133.81
mp-1216583
-3.201993
-3.887638
0.640175
other
Tl1P3
4
160
95.57
mp-1198139
-4.844008
-1.790317
-6.731504
other
Zn18S18
36
160
734.98
mp-1225560
10.140515
8.378465
3.176501
other
Er2O3
5
160
75.16
mp-7834
-4.648654
-0.847285
-2.941361
other
Ta1Se2
3
160
70.35
mp-556576
-4.84485
-1.783951
-6.732762
other
Zn8S8
16
160
323.99