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-680432
10.795677
7.996666
2.309866
other
Sr40Al24O76
140
15
2,136.74
mp-5466
7.375433
9.050647
-1.506007
other
Yb2Nb2O8
12
15
153.37
mp-1259106
12.808473
10.163883
0.431391
other
Al2W4O8
14
15
163
mp-729131
7.344236
6.464875
-4.413993
other
U4S4O38
46
15
842.59
mp-756227
10.268248
2.76047
1.630703
other
Li2V4F14
20
15
221.8
mp-5038
-3.624109
-1.296522
-5.603709
other
Cs2Ga2S4
8
15
251.95
mp-28713
10.293431
9.279801
-1.955022
other
Na8Te8O20
36
15
539.96
mp-1393890
9.495804
1.151278
0.747411
other
Zn2Cr2F10
14
15
183.33
mp-19255
8.697948
13.519012
-1.103108
other
Ti2Fe4O10
16
15
174.09
mp-698114
3.399229
-0.742727
-2.521004
other
Ba8Al4H28
40
15
570.87
mp-768578
6.731861
13.176756
-1.762221
other
Cd4Co4O12
20
15
236.99
mp-1237850
6.837146
6.038771
-3.683471
other
Rb6Np2O18
26
15
495.65
mp-555088
-2.310723
-2.237743
-5.155455
other
Nd8S6Br12
26
15
732.14
mp-1181814
6.522616
6.119833
-3.764207
other
Cr2Cl6O12
20
15
349.8
mp-37873
-0.329644
1.059676
-4.209746
other
Li6Er2Br12
20
15
516.94
mp-1274785
12.972256
12.445031
-0.66804
other
V4Fe2O8
14
15
157.4
mp-1246250
0.648078
2.376589
2.139489
other
Ta4Mn8N12
24
15
270.14
mp-1245715
0.630785
2.289324
2.127353
other
Cr6Ga4N8
18
15
201.54
mp-1261118
-5.937742
-3.610289
3.91404
other
Zr16Al4Ni8
28
15
571.46
mp-1225378
9.124331
13.300488
-1.066553
other
Fe14Co4O24
42
15
465.88
mp-25828
14.090795
8.871917
-4.742038
other
Mo4P6O22
32
15
427.49
mp-1301803
6.324753
11.412968
0.769627
other
Sr6Co4O12
22
15
277.84
mp-29228
4.848762
3.007268
-3.384875
other
Cs2Sr2N18
22
15
384.2
mp-25830
10.201988
8.357713
-7.131279
other
Mn4P6O22
32
15
405.82
mp-3324
11.279071
11.465317
2.354094
other
Nb4Sn2O12
18
15
239.3
mp-1195215
11.465883
11.061213
-4.005023
other
Gd12Mo20O78
110
15
1,710.94
mp-1180687
7.106339
5.993808
-4.441651
other
Mg2S2O16
20
15
239.82
mp-765572
10.335254
6.453474
-3.853975
other
Co4B4O12
20
15
231.93
mp-1094021
-4.075107
-1.38358
-5.953759
other
Zn6Ga12S24
42
15
887.11
mp-1246796
1.168114
2.4588
1.634104
other
Y4Ni6N8
18
15
238.75
mp-773192
11.294006
11.170064
-2.518949
other
Gd4W6O24
34
15
493.28
mp-1199685
-3.174783
0.84844
-3.79743
other
Cu8Re12S24
44
15
902.91
mp-557426
9.681275
0.465528
0.616471
other
Ca2Mn2F10
14
15
202.56
mp-556748
9.270571
1.121387
1.100088
other
Ca2Cr2F10
14
15
198.2
mp-680246
-3.433925
-1.033251
-5.091859
other
Cs8Zr6S28
42
15
1,249.98
mp-1246370
1.830118
1.710586
1.396137
other
Sr8Ge2N8
18
15
335.32
mp-27553
10.78737
11.750419
2.220554
other
Ta4Sn2O14
20
15
214.79
mp-541057
-3.036928
0.792277
-3.905275
other
Rb8Re12S26
46
15
1,150.17
mp-1208980
11.619596
3.787135
-7.769197
other
Sm4S6O24
34
15
460.24
mp-21885
-7.898333
-4.882419
3.406478
other
Ca4In2Pt4
10
15
227.22
mp-555156
10.346532
1.155489
1.397552
other
Mn2Cr2F10
14
15
179.26
mp-695863
7.331855
6.753648
-4.220084
other
Mn2C2O6
10
15
116.32
mp-556202
7.33623
3.301568
-5.030759
other
Cu2C8O8
18
15
255.35
mp-22334
13.286805
8.591596
-1.131448
other
Fe4Ge4O12
20
15
225.78
mp-1193021
-5.81869
-3.767229
-1.81025
other
Cs12Sn4Te12
28
15
1,349.5
mp-778451
9.456614
8.89207
0.098187
other
Na12Sn4O14
30
15
462.9
mp-29700
4.717907
3.085857
-3.984557
other
C8S24N8
40
15
1,034.23
mp-753544
6.786174
9.958696
-1.208765
other
Li8Bi4O12
24
15
288.7
mp-777423
10.327118
10.021101
1.34087
other
Na12Ti4O14
30
15
428.12
mp-1105847
7.875553
6.379146
-4.941846
other
Zr2S2O14
18
15
328.53
mp-17464
11.778601
7.25121
-0.26568
other
Sr6Ge6O18
30
15
480.6
mp-1200225
7.856535
7.306506
-4.111924
other
Nd4Se6O24
34
15
592.94
mp-773513
11.244495
11.278456
-2.679021
other
Er4W6O24
34
15
472.56
mp-1189009
-5.214528
-3.226849
5.865467
other
U4Si10Rh6
20
15
332.31
mp-768314
10.792987
6.272808
-3.250574
other
Bi4B8O20
32
15
393.79
mp-680578
-5.625503
-4.213027
5.141646
other
Sm8Si6Pd8
22
15
448.23
mp-759084
11.260489
7.869425
-7.258907
other
Cr2P8O24
34
15
428.86
mp-755377
9.888573
1.618762
-0.814251
other
Fe4O4F6
14
15
171.9
mp-1351781
12.611732
8.447532
-7.455448
other
Cr8P8O32
48
15
609.17
mp-753556
9.497376
7.745883
-5.905528
other
Cr2P4O16
22
15
289.91
mp-1208011
1.967881
2.738187
-4.971641
other
Tl2Sb2Cl12
16
15
453.05
mp-1247518
1.29494
1.872869
2.040271
other
Ca6Nb4N8
18
15
317.63
mp-1211499
-3.554197
-1.780716
-5.453441
other
K8Tl8S16
32
15
995.12
mp-1180610
9.053988
6.1273
-3.986881
other
Li4B20O52
76
15
954.08
mp-1198289
9.010609
7.985604
-4.831378
other
Mn10As8O40
58
15
762.32
mp-760228
8.579524
2.303427
-1.036737
other
Cr8O8F32
48
15
763.62
mp-17185
-5.430538
-4.790244
4.874508
other
Ca8Si6Pd8
22
15
438.49
mp-756465
11.272614
13.208192
-1.569129
other
V4Ga8O20
32
15
332.08
mp-1188286
-8.003707
-3.063078
4.585182
other
Tb4Ge10Rh6
20
15
365.36
mp-1105926
8.327666
7.154613
-3.59145
other
Ca2B4O12
18
15
222.32
mp-1204773
-3.351815
-1.637516
-5.493567
other
Ba12Sn14S40
66
15
1,899.22
mp-650137
-3.062444
0.517302
-3.44611
other
Cs8Re12Se26
46
15
1,328.88
mp-1215771
8.397164
1.554764
0.485062
other
Yb2Zr6F30
38
15
526.06
mp-28368
1.786582
2.67094
-5.130644
other
Tl2Au2Cl8
12
15
343.38
mp-1104788
13.460868
4.994538
-2.658548
other
Co4B8O16
28
15
227.05
mp-1398579
9.405877
0.629658
-0.058544
other
Ca2Co2F10
14
15
205.62
mp-23395
8.713399
8.351994
-1.586601
other
Hg8Cl4O4
16
15
352.99
mp-1202567
14.051129
7.07235
-5.946544
other
U8P32O96
136
15
1,929.9
mp-1194394
7.692172
5.192091
-5.588567
other
Na6C4O16
26
15
387.15
mp-754506
11.528946
12.503944
-3.351139
other
V4Cr2O12
18
15
243.81
mp-1024042
11.52994
7.790281
1.672248
other
La8Al12O30
50
15
695.82
mp-1245802
0.866937
2.763306
1.79678
other
Cr4Cd6N8
18
15
310.71
mp-1182450
7.418458
5.723592
-4.602803
other
Ba2S4O16
22
15
405.68
mp-1196650
-3.080641
0.532107
-3.4399
other
Na8Re12Se24
44
15
1,044.23
mp-1246411
0.781988
2.115279
1.958124
other
Ca6V4N8
18
15
247.89
mp-559219
13.27044
6.188733
-7.241487
other
Zr8P32O96
136
15
1,769.45
mp-1181255
8.967309
6.231673
-5.777429
other
Li16P16O68
100
15
1,605.97
mp-17702
8.425681
7.617634
-2.623915
other
Yb8Si4O20
32
15
443.63
mp-1188676
-4.066317
-3.622201
-2.911131
other
U4Fe2Se10
16
15
362.87
mp-675111
-3.618335
-3.983656
0.818867
other
Ce4Ag4P8
16
15
331.53
mp-1182817
8.454326
6.040421
-4.993715
other
Ba6P12O52
70
15
1,077.72
mp-755703
10.711294
9.49796
-0.296505
other
Li2Sb2O4
8
15
124.24
mp-1106201
12.853867
8.218766
-1.062873
other
Mn4Ge4O12
20
15
236.29
mp-556735
9.40967
8.581102
-0.408674
other
Rb16Bi32O56
104
15
2,194.59
mp-1245440
1.813442
1.784791
2.496466
other
Zr8Ga4N12
24
15
335.59
mp-680571
5.59224
3.269264
-4.580861
other
Tc4C20O20
44
15
775.11
mp-1180585
7.550452
5.072978
-5.315862
other
Na6C4O16
26
15
334.32
mp-755083
1.094482
1.810701
-5.259411
other
Ba2Y2Cl10
14
15
522.19
mp-776239
1.8628
1.754803
2.812151
other
Zr12N12O6
30
15
395.81
mp-558768
9.958607
9.297139
-2.082797
other
Ag12Te6O24
42
15
571.4