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-754782
6.637733
8.77529
-1.845132
other
Na4Cd2O6
12
12
160.07
mp-684083
13.039641
6.926075
-6.391886
other
Sb2P8O24
34
12
564.93
mp-762271
12.78165
13.40265
-0.950861
other
Li4V6O12
22
12
228.23
mp-754752
12.045454
11.213055
3.19388
other
Nb4N4O4
12
12
168.9
mp-759736
8.791558
14.554626
-1.105212
other
Mn13Cu11O32
56
12
607.21
mp-1214486
9.34019
0.792534
0.87212
other
Ba7Fe7F34
48
12
773.81
mp-30240
8.355712
10.706533
1.388876
other
Ca2Co1O3
6
12
118.43
mp-568782
-7.751078
-3.130486
2.251633
other
Dy1P2Pt8
11
12
178.47
mp-763206
10.448282
0.685054
-0.680365
other
Co6O2F10
18
12
212.34
mp-783902
11.782222
11.631307
-0.743212
other
Dy2V2O7
11
12
165.3
mp-1222978
6.400646
13.989696
-1.941478
other
Li2Co4O8
14
12
143.26
mp-1190934
-2.447623
0.388306
2.318701
other
Gd8Rh5C12
25
12
379.95
mp-1223298
-2.137423
0.439631
2.401028
other
La1Ho4C10
15
12
216.18
mp-1025230
-3.205666
0.325392
2.633201
other
U2Re2C3
7
12
95.8
mp-1276532
12.32696
11.774294
-1.186708
other
V2Re2O8
12
12
124.81
mp-677548
6.409862
5.716431
-4.135111
other
Na1N2O4
7
12
117.27
mp-1232154
-4.395278
-3.91678
-3.797936
other
Sm4Mg4Se12
20
12
560.58
mp-755520
8.641376
14.93229
-0.193149
other
Na2Mn2O4
8
12
92.48
mp-776201
2.050962
1.787598
2.522426
other
Zr8N8O4
20
12
291.84
mp-30945
-0.505175
1.289253
-4.244881
other
Ga2Pd1Br8
11
12
376.38
mp-1174012
4.073864
19.132324
-1.875253
other
Li5Co3O8
16
12
137.15
mp-1214826
8.667904
8.639812
-1.942674
other
Al5Sb3O16
24
12
251.12
mp-1220975
-5.763261
-0.262049
3.424198
other
Ni24W48C8
80
12
1,079.32
mp-758558
10.896779
9.337639
-0.81218
original
Sb2N2O2
6
12
119.65
mp-997089
7.600406
10.360984
-1.178041
other
Na1Au1O2
4
12
53.04
mp-30254
-6.381241
-6.734943
2.866621
other
Ba3Li4Sn8
15
12
429.43
mp-1238813
-5.473011
0.034386
-5.511736
other
Li1Cr2S4
7
12
108.65
mp-1215571
-6.712826
-5.641013
4.023696
other
Yb2Zn2Ge2
6
12
122.65
mp-1192620
-4.087752
-3.622398
-2.738172
other
U8V1Se17
26
12
663.99
mp-757454
8.504522
14.352551
-1.404795
other
Mn12Pb2O24
38
12
414.37
mp-1208065
-0.503439
1.31556
-4.25025
other
Tl1Hg5Br11
17
12
622.41
mp-1213758
8.086132
0.781559
1.211053
other
Cs3Bi1F6
10
12
413.72
mp-1210834
12.153931
6.887784
-0.969741
other
Mg7Si8O24
39
12
461.54
mp-3195
-5.360809
-5.966037
0.7477
other
Sr11Cd6Sb12
29
12
966.82
mp-687234
12.241302
8.548532
-5.962579
other
P4W2O16
22
12
278.19
mp-34326
0.006625
1.762004
-4.025786
other
Li6Br3N1
10
12
191.43
mp-754483
7.830445
10.070906
-0.162864
other
Na3Cu2O4
9
12
117.05
mp-766079
7.177289
9.847316
0.957007
other
Sr8Cu8O17
33
12
438.27
mp-1206889
-0.31416
0.790083
-2.868881
other
Y2C2Cl2
6
12
122.81
mp-581730
-8.139768
-3.274697
4.392012
other
Ho4Ga21Ni10
35
12
538.63
mp-1407035
7.225584
11.078064
-0.937206
other
Zn2Cu4O8
14
12
147.78
mp-760391
10.784816
10.8117
0.117124
other
Mn4Cd6O10
20
12
256.29
mp-1245461
1.568936
2.379259
1.199396
other
Cd8Ru2N8
18
12
307.18
mp-31029
-6.362363
0.792267
2.655777
other
Nd2Ni5B4
11
12
135.57
mp-781048
13.125724
0.590527
1.693838
other
Fe8O6F10
24
12
284.62
mp-765944
12.888062
8.800364
-0.074044
other
Al15Fe9O32
56
12
562.11
mp-22044
-7.660284
-3.601019
5.584949
other
Sm4Ge4Ru2
10
12
216.83
mp-632417
6.78721
7.853889
-3.282764
other
Li2H2O4
8
12
78.68
mp-1218329
-6.201315
-7.002925
3.532019
other
Sr2Cd2Ga2
6
12
163.47
mp-1232288
-2.976056
-2.212809
-5.689953
other
Pm2Mg2S6
10
12
273.01
mp-676370
6.867409
8.499508
-2.790363
other
Yb3Ti3O14
20
12
244.79
mp-755972
6.029408
13.194125
-1.474716
other
Li3Ni4O8
15
12
131.6
mp-758720
10.04215
0.788664
1.4642
other
Li5Cu1F6
12
12
110.64
mp-17625
-4.630443
-1.638523
-5.774542
other
Na4Cu8S6
18
12
299.54
mp-1095591
-8.045382
-5.339754
3.311961
other
Tm3Cu4Sn4
11
12
219.49
mp-1042297
7.189052
10.991775
-0.980779
other
Mg2Cu4O8
14
12
152.45
mp-1203754
-8.102621
-5.04608
4.016893
other
Sm4In20Ni11
35
12
675.61
mp-1222889
-6.293992
-4.418843
1.007829
other
La2Sb2Pt2
6
12
167.89
mp-1219899
-7.234171
-3.921944
5.961076
other
Pr3Al28Cu8
39
12
643.61
mp-1397123
10.843023
12.444973
2.094839
other
Mg2Ti3O8
13
12
145
mp-1179274
-3.610469
-1.505157
-5.560197
other
Tl1In1S2
4
12
121.67
mp-1177904
6.432421
14.252152
-1.805227
other
Li3Co4O8
15
12
138.61
mp-675770
10.771497
8.712783
2.59344
other
Nd3U2O10
15
12
203.42
mp-1445003
6.586547
9.117452
-1.118819
other
Zn2Bi3O8
13
12
193.42
mp-18914
11.410354
10.93341
-3.463579
other
K4Mo2O8
14
12
252.21
mp-1396010
8.261896
13.21314
-1.148204
other
Zn2Fe4O8
14
12
169.76
mp-754326
6.748877
9.966087
-1.367025
other
Na1Ag1O2
4
12
51.3
mp-1080031
6.584711
5.805527
-3.912766
other
Co1Cl2O6
9
12
146.82
mp-989643
1.385905
2.456953
1.329321
other
La2Co2N6
10
12
156.92
mp-1273830
16.591501
9.761555
5.695449
other
Mg8Fe2O10
20
12
196.7
mp-1078160
-5.636894
-1.46512
-3.719573
other
Cr2Co1Se4
7
12
128.38
mp-996978
7.349059
11.048432
-1.095525
original
Cu1Au1O2
4
12
50.33
mp-1209903
-0.681505
1.407537
-4.055731
other
Re6Br18O4
28
12
855.76
mp-1216915
-7.362258
-4.140903
3.510444
other
U2Ge2Au2
6
12
125.11
mp-13128
10.959683
7.942079
-4.267794
other
Cu2As2O7
11
12
135.63
mp-780097
12.958056
0.74601
2.022531
other
Fe6O4F8
18
12
213.35
mp-1104024
-4.585704
-2.8332
-3.542861
other
Cs4Ge2Se8
14
12
522.74
mp-505263
10.612981
12.055761
-3.874041
other
V4In4O16
24
12
333.64
mp-1190239
12.448336
11.146829
1.97325
other
Na6Ti6O13
25
12
312.87
mp-759195
6.800967
10.503818
-1.602713
other
Na8Co4O12
24
12
347.13
mp-690561
9.708806
11.330644
-1.014286
other
Mn4Sb8O24
36
12
444.62
mp-1232259
-4.307717
-4.029864
-3.639251
other
Ce2Mg2Se6
10
12
286.57
mp-752979
10.474999
0.963622
-1.355336
other
Co6O4F8
18
12
206.2
mp-19402
9.895698
12.445619
-3.962185
other
V4Ag2O11
17
12
203.25
mp-19290
12.43107
7.804649
-5.109194
other
Mn4As4O14
22
12
260.55
mp-556595
9.633358
8.794077
2.850303
other
Nd4Cu2O7
13
12
195.74
mp-25956
9.874564
8.125239
-6.597226
other
Mn2P4O14
20
12
253.63
mp-753469
5.951663
13.091766
-2.273076
other
Co4Ni2O12
18
12
197.28
mp-1232139
-3.01827
-2.317458
-5.930359
other
Ho2Mg2S6
10
12
252.62
mp-1215372
-5.862748
-3.260894
4.205699
other
Zr8Nb2Al6
16
12
319.61
mp-753693
11.80718
7.254179
0.268696
other
Ho2Ge2O7
11
12
153.06
mp-27330
7.895398
10.607382
1.507547
other
La3Os2O10
15
12
197.37
mp-1190193
6.807237
5.237401
-4.341618
other
Zr2N2O12
16
12
272.29
mp-1100825
12.938213
11.034589
-0.328351
other
Zn3Mo3O8
14
12
173.94
mp-1202770
10.930355
10.779111
-3.611852
other
Rb3Mo10O30
43
12
663.14
mp-21679
9.529097
0.859582
0.658553
other
Fe7Pb7F34
48
12
678.18
mp-767704
8.448809
14.813164
-1.05366
other
Li9Mn15O32
56
12
552.75
mp-1246028
1.217959
2.371598
1.677249
other
Mn3Zn8N8
19
12
257.6
mp-1080020
12.985989
11.456209
-0.061031
other
Li2Mo2O4
8
12
80.79
mp-1181711
12.20688
11.573945
-1.362012
other
Cr2W2O8
12
12
136.41