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-2665409
10.678577
4.633717
-4.200327
other
Co1H2O2
5
12
43.73
mp-780121
7.763552
6.720662
-1.529903
other
Fe8O10F6
24
12
272.25
mp-1174351
6.994121
19.680769
-0.158857
other
Li8Mn6O14
28
12
260.36
mp-11184
-6.565669
-3.740697
0.809571
original
Nd3Sb4Pt7
14
12
292.82
mp-1246437
5.142161
2.178955
-3.0315
other
Ru2C3N6
11
12
145.48
mp-560358
14.31754
5.189208
-7.571781
other
Zr4P4O18
26
12
344.72
mp-8436
-4.616234
-1.062266
-3.189385
other
Ta2Pd1Se6
9
12
211.44
mp-1287495
6.252913
13.444266
-1.357576
other
Li4Ni4O8
16
12
136.12
mp-1228517
7.332228
9.194759
-1.657135
other
Ba2Ti4O13
19
12
275.74
mp-543045
8.398225
3.851351
-6.706877
other
Tl4C2O6
12
12
214.84
mp-23474
-4.056847
-1.932059
-5.157659
other
Ag2Bi6S10
18
12
448.87
mp-4909
-5.181357
-0.031377
-4.358638
other
V2Ni1S4
7
12
103.07
mp-1219228
-7.067723
-1.486065
6.397631
other
Sm1Al9Fe3
13
12
197.5
mp-1226800
-8.62407
-4.82734
4.434472
other
Ce2Cu2Ni2
6
12
104.29
mp-774235
12.080533
12.027725
0.388303
other
Li1Cr3O4
8
12
86.5
mp-733604
3.372663
-0.674097
-2.545406
other
Ba4Mg6H20
30
12
383.49
mp-1100484
7.083336
19.5844
-0.123518
other
Li9Mn7O16
32
12
298.4
mp-1226088
-7.031303
-4.370688
5.658647
other
Dy10Al4Ge11
25
12
537.3
mp-1100342
-3.499373
-1.494039
-5.76789
other
Ca2Sn3S8
13
12
326.37
mp-1328802
12.039287
11.165375
-2.097405
other
Y8Mo12O42
62
12
856.39
mp-1101069
-4.134584
-2.054315
-3.448527
other
Cr2P2Se6
10
12
233.48
mp-1078615
6.405858
5.69879
-4.035333
other
Mg1Cl2O6
9
12
253.6
mp-504646
-4.003702
-1.569186
-5.492484
other
In10Bi6S24
40
12
957.14
mp-1100488
7.145559
19.645176
-0.129145
other
Li9Mn7O16
32
12
299.01
mp-610687
-7.784813
-4.226332
3.907791
other
Ce4Sn4Ru4
12
12
274.77
mp-9177
-4.95724
-4.22786
6.42227
other
Y2Al3Si2
7
12
133.02
mp-731755
9.812975
10.218155
-3.872281
other
Mo6N2O18
26
12
388.03
mp-1201895
-8.821438
-0.13045
2.599831
other
Er3Ni19B10
32
12
326.66
mp-1246334
5.359325
2.211085
-2.860951
other
Re2C3N6
11
12
134.48
mp-29326
10.323601
10.543457
1.647797
other
La3Re2O10
15
12
200.67
mp-760949
14.296638
12.80956
-1.270873
other
V8O12F4
24
12
255.37
mp-675733
11.065286
10.227068
1.836576
other
Y5Re2O12
19
12
249.58
mp-568728
-5.265847
-3.771112
6.027322
other
Er4Co2Si4
10
12
182.02
mp-849641
14.315559
12.902787
-1.29806
other
V8O12F4
24
12
265.81
mp-754792
8.174129
11.024543
-3.122263
other
Cr4Fe4O16
24
12
301.27
mp-1246764
1.607576
2.455876
1.123658
other
Mn2Cd8N8
18
12
283.26
mp-756644
7.469767
13.713319
-0.911564
other
Li8Fe7O15
30
12
274.62
mp-1220460
-4.545076
-0.927436
-3.019385
other
Nb4Cu1Se8
13
12
276.42
mp-1226651
-3.499755
-1.475764
-5.152875
other
Cs6Sb10S18
34
12
1,091.1
mp-1198628
7.935639
11.686608
0.057247
other
Na12Ru4O16
32
12
370.55
mp-15827
-7.469332
-3.174267
5.301343
other
Ho4Ge4Os2
10
12
202.53
mp-1176471
8.939278
12.922201
-0.893443
other
Mn1Co9O10
20
12
202.15
mp-1407797
12.850616
11.218805
-0.826704
other
Mg2Mo3O8
13
12
160.86
mp-1245641
0.075819
2.765244
1.916698
other
Mn1Fe10N8
19
12
172.93
mp-29315
0.758215
1.063631
-3.808537
other
Sc7C2Cl10
19
12
387.54
mp-1078257
-6.909811
-7.009409
2.35633
other
Sr2Sn4Hg4
10
12
284.62
mp-1412672
11.203299
11.603516
0.2247
other
Mn4Zn4O8
16
12
209.21
mp-766823
11.641031
12.614346
1.697646
other
Li7Ti11O24
42
12
439.51
mp-753691
6.531169
8.792545
-0.42625
other
Y2Bi2O7
11
12
204.21
mp-760903
8.735252
15.49345
-1.465634
other
Mn8O12F4
24
12
251.65
mp-3849
-4.595629
-1.091426
-5.024066
other
Tl2Fe2S4
8
12
184.53
mp-777463
9.614601
0.698844
-0.384902
other
Li2Fe1F6
9
12
97.16
mp-765749
9.70803
1.019688
-0.52207
other
Ni6O2F10
18
12
204.7
mp-1105859
-4.851408
-1.713104
-3.099685
other
Cs1Ti5Se8
14
12
314.81
mp-574159
-6.339202
-4.041168
0.869941
other
Ce3As6Pd9
18
12
330.85
mp-1025269
-4.356786
-0.201235
-4.462562
other
Ti2Co1S4
7
12
114.68
mp-768240
8.580963
1.29318
1.954962
other
Ba1Y2F8
11
12
154.23
mp-7064
12.33876
6.596732
0.205907
other
Er2Si2O7
11
12
139.71
mp-1404033
12.781619
11.218846
1.771659
other
Ti4Zn2O8
14
12
158.35
mp-996963
7.845728
9.673618
-1.32412
other
Cd2Ag2O4
8
12
109.58
mp-1025174
-3.48262
0.325087
2.631521
other
U2Mo2C3
7
12
97.42
mp-1209214
1.369334
2.325762
-5.237648
other
Rb1Hg5Cl11
17
12
491.02
mp-18721
14.035651
7.635962
-6.975988
other
Mn2P2O7
11
12
125.22
mp-540977
9.418024
8.357242
-0.463769
other
Bi10I2O14
26
12
498.4
mp-996992
6.677536
10.120451
-1.287699
other
Li1Ag1O2
4
12
45.94
mp-1045021
8.941367
14.924352
-0.583679
other
Mn12Al4O24
40
12
456.18
mp-1080464
-4.678008
-5.295791
0.549664
other
Ba3Cd2As4
9
12
273.01
mp-1226051
-5.439276
0.013202
3.114753
other
Cr6C3N1
10
12
89.21
mp-773104
5.523946
10.828776
-0.380256
other
Sr24Fe16O55
95
12
1,249.6
mp-1247532
0.666736
2.198671
2.216787
other
Nb2W2N6
10
12
137.76
mp-1235362
11.665193
12.233495
1.990059
other
Li1Ti4O8
13
12
148.37
mp-1232163
-2.969179
-2.33304
-5.86488
other
Dy2Mg2S6
10
12
259.95
mp-29364
9.684732
11.713083
-0.070102
other
Li5Sb1O5
11
12
105.67
mp-1045642
12.746427
9.98466
1.938547
other
Ca2Ti9O13
24
12
250.25
mp-1221008
-7.715244
-4.627978
2.918701
other
Nd9Ni24Sn49
82
12
1,747.33
mp-1192858
-6.756871
-4.845453
4.695176
other
Ce5Mg8Ge8
21
12
495.51
mp-1103967
8.634445
9.713119
-3.714973
other
Mn1Re2O10
13
12
240.93
mp-1045644
6.382544
14.577869
-1.764701
other
Li3Co4O8
15
12
146.84
mp-1100493
7.057918
19.664413
-0.125665
other
Li9Mn7O16
32
12
299.75
mp-2408760
7.217846
10.68354
-0.686037
other
Na2Cu4O6
12
12
132.46
mp-1045636
12.776567
9.961905
1.904541
other
Mg2Ti9O13
24
12
238.02
mp-37315
9.789109
4.918754
-4.326983
other
Mg3H2O6
11
12
131.25
mp-1194150
-0.675251
1.435218
-3.957637
other
Re6Br20N2
28
12
846.48
mp-5813
11.582913
11.171963
3.203389
other
Ta4N4O4
12
12
162.11
mp-756085
13.107965
12.537472
-0.666708
other
Na2V10O16
28
12
329.52
mp-505526
12.157886
11.008588
-2.806683
other
Fe4Mo4O16
24
12
319.02
mp-30019
-6.088745
-2.924385
-2.069241
other
Zr2Cu4Te6
12
12
304.95
mp-680480
-5.855128
-7.064623
2.275659
other
K18Cd3Pb24
45
12
1,749.93
mp-559766
8.402719
0.628434
1.288132
other
Cs6Li2F8
16
12
354.44
mp-10412
-4.10164
-1.076372
-5.219706
other
Mn2Sb4S8
14
12
344.57
mp-1174291
4.375322
19.037176
-1.869985
other
Li8Co6O14
28
12
241.92
mp-1402513
1.561943
2.117618
2.0697
other
Mg4Ti2N4
10
12
126.3
mp-555439
9.194675
0.7034
1.377329
other
Cs2Li6F8
16
12
216.66
mp-770101
6.700814
13.487064
-1.223211
other
Li5Mn1O5
11
12
102.16
mp-1272198
11.707043
4.78425
-4.021556
other
Mn4H8O8
20
12
190.61
mp-31360
1.452734
2.361065
-4.006426
other
K4Ta6Cl18
28
12
729.59
mp-780664
11.595861
-0.238364
1.420802
other
Mn6O2F10
18
12
234.11
mp-10998
-7.724343
-3.948609
4.260933
other
Yb4Ge4Ir2
10
12
212.44
mp-1079047
-7.57454
-4.053647
5.529099
other
Sm4Co2Ge4
10
12
210.99
mp-1401213
12.803648
10.857975
1.76568
other
Mg2Ti4O8
14
12
161.96