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-1045129
6.660047
12.458178
-1.260598
other
Y4Ni12O24
40
12
484.96
mp-850192
6.436151
13.236999
-2.375717
other
Co5Sn1O12
18
12
210.16
mp-1174274
4.223134
19.122713
-1.875685
other
Li7Co5O12
24
12
209.17
mp-675073
8.079606
10.258706
-0.340886
other
Na8Pt2O8
18
12
243.01
mp-2218824
12.782819
12.713137
-1.118979
other
Mg1V4O8
13
12
148.24
mp-1210428
8.197015
1.498325
-0.500465
other
Rb3Ru1F12
16
12
335.78
mp-1180275
6.953561
6.291111
-3.824941
other
Na2Sn1O6
9
12
116.11
mp-1226622
-8.009038
-6.074111
4.343524
other
Ce2Ga2Ag2
6
12
134.14
mp-29607
-8.879524
1.726411
-3.272973
other
Ag1Te6Mo6
13
12
342.57
mp-1215935
-5.378599
-4.143419
5.424409
other
Y2Si2Pd2
6
12
114.25
mp-1232998
12.441593
12.623849
-1.893512
other
Li1V4O8
13
12
158.78
mp-1030752
1.546456
1.88111
1.382762
other
Sr8Co3N8
19
12
358.61
mp-1203076
-8.159858
-3.23145
4.354727
other
Tm4Ga21Ni10
35
12
542.34
mp-1245848
-1.081333
-0.317406
-4.014783
other
Sb4S3N2
9
12
214.33
mp-676666
9.458591
8.300475
1.146252
other
Rb4Ce2O6
12
12
230.04
mp-1216815
9.371968
5.161771
-6.539508
other
Tl3S2O8
13
12
211.35
mp-1078190
-3.137722
0.609797
2.638938
other
Er2Cr2C3
7
12
90.89
mp-1272454
10.345265
10.610725
0.311353
other
Na8Mn4O8
20
12
295.88
mp-560181
8.472493
10.904361
-3.305714
other
Cr3In1O8
12
12
158.79
mp-1225581
-8.259632
-4.772259
3.6817
other
Dy2Ge2Pd2
6
12
119.61
mp-1178419
10.154056
11.144832
-0.849061
other
Cr1Sb2O6
9
12
113.64
mp-3776
-3.497182
0.465903
2.731682
other
Er2Mo2C3
7
12
101.03
mp-754719
13.76007
8.874886
-1.184907
other
V4Si4O14
22
12
246.14
mp-1080182
6.857626
7.023524
-3.981483
other
Co1Cl2O6
9
12
159.4
mp-1285961
6.34469
13.859505
-2.169441
other
Li2Co6O12
20
12
209.82
mp-770997
10.015596
11.366435
2.357405
other
Li2Hf1O3
6
12
60.51
mp-1272250
12.801289
6.104179
-3.439632
other
Fe4H8O8
20
12
178.62
mp-756453
5.19555
11.621927
-2.343904
other
Fe6O10F2
18
12
194.36
mp-755053
12.072141
7.79426
-0.441233
other
Ga4Si1O8
13
12
141.11
mp-1048365
7.280157
8.785586
-1.734832
other
Y2Cu3O6
11
12
185.81
mp-1211506
8.698016
1.158952
1.897035
other
K4Tm8F28
40
12
528.66
mp-1100491
7.130597
19.67379
-0.116466
other
Li9Mn7O16
32
12
296.52
mp-1047060
12.748404
9.926595
0.603103
other
Mg4W4O8
16
12
207.24
mp-761157
9.352775
13.707977
-1.046222
other
Mn4Te1O8
13
12
175.66
mp-561221
7.889161
10.439046
-3.652798
other
Tl2Cr6O16
24
12
361.67
mp-1002570
8.506306
13.508586
0.258459
other
K4Mn4O8
16
12
225.86
mp-1104362
7.718695
9.072561
-0.077489
other
La2Ta2O9
13
12
194.21
mp-33670
-4.316072
-0.140285
-4.087811
other
Nb1Ir1S4
6
12
122.22
mp-761164
9.011862
1.894374
1.269019
other
Li4Nb4F20
28
12
395.66
mp-568196
-5.243204
-3.971868
6.090823
other
Er6Co2Si6
14
12
263.94
mp-8435
-3.956972
-0.025446
-4.018571
other
Ta2Pd1S6
9
12
184.34
mp-1210229
1.151648
2.321036
-4.223084
other
Nb6In4Cl18
28
12
760.72
mp-1095296
-2.627789
-2.58772
-5.582179
other
Dy4Te3S4
11
12
304.69
mp-1245751
0.092833
2.739628
1.898403
other
Fe10Ni1N8
19
12
175.02
mp-770649
9.677069
12.009604
0.877916
other
Li5Nb1O5
11
12
111.63
mp-1176695
10.060814
0.581264
0.370941
other
Li1Fe1F4
6
12
78.3
mp-11706
9.968755
8.537583
2.855618
other
Ho4Hg2O8
14
12
204.06
mp-1222442
8.80891
12.242711
-0.155127
other
Li5Au1O4
10
12
100.8
mp-1233731
8.672832
14.836667
-0.889697
other
Mg1Mn3O6
10
12
118.66
mp-1277880
7.008182
12.101647
-1.209334
other
Ni4Ag4O8
16
12
191.83
mp-1217528
-8.366372
-6.448134
4.767955
other
Tb2Ga2Ag2
6
12
126.26
mp-937703
2.073422
1.671279
1.631172
other
Sr2Ce2N4
8
12
140.6
mp-1208536
-6.795205
-4.461524
5.096375
other
Tb4Al2Ge12
18
12
374.73
mp-1190197
-7.974227
-6.280466
6.041022
other
Er14Te4Au4
22
12
590.64
mp-1095372
-4.080104
-1.780149
-5.204031
other
Mn1Bi4S7
12
12
296.47
mp-1225900
-8.215465
-4.80377
4.571904
other
Er6Ga17Pd5
28
12
509.53
mp-754843
10.786165
11.890473
2.356281
other
Na2Ti2O5
9
12
121.4
mp-756685
7.02862
11.717113
-1.362922
other
Co1Cu4O8
13
12
150.84
mp-26614
9.434159
8.009027
-5.921386
other
Fe2P4O14
20
12
259.4
mp-776099
10.032292
0.530459
0.467458
other
Li11Fe6F29
46
12
574.53
mp-1265576
9.499233
1.007301
0.17894
other
Al2Fe3F15
20
12
266.76
mp-1219234
-7.71325
1.106785
5.042074
other
Sm2Fe17N1
20
12
264.85
mp-540540
-0.117881
0.823656
-4.022223
other
Pa2Br6O2
10
12
311.1
mp-28163
8.392673
1.134678
0.514483
other
K2Pd1F4
7
12
119.32
mp-755794
9.17487
8.50549
0.482979
other
Rb6Lu2O6
14
12
322.28
mp-1025279
-5.224607
-1.688724
-3.560771
other
Ti1Cr2Se4
7
12
140.95
mp-15761
11.06666
11.931603
2.422393
other
Ba8Ti24O54
86
12
1,098.54
mp-1078200
-5.405086
-1.258984
-3.224924
other
V2Co1Se4
7
12
119.14
mp-1247046
0.31319
2.575292
1.905962
other
Fe1Co10N8
19
12
168.26
mp-555272
8.655671
1.209938
1.237826
other
Na5Zr2F13
20
12
261.58
mp-1226120
-6.307274
-3.490368
0.778283
other
Co2Ni2Sb12
16
12
384.78
mp-504578
7.897653
10.022851
-3.910967
other
Mg4Cr4O16
24
12
310.21
mp-27512
-5.848813
-0.457368
-4.755907
other
Cr2Ni1S4
7
12
98.94
mp-568887
1.43677
2.521553
-5.62132
other
Rb2Cr2Cl6
10
12
277.23
mp-1176521
9.826662
12.913045
-3.603978
other
Li2V2O6
10
12
104.9
mp-1392653
12.896815
11.2397
0.133872
other
Mg4V4O8
16
12
181.33
mp-568866
-5.746262
-7.025901
2.804068
other
Na6Zn1Sn2
9
12
250.77
mp-1174158
3.967047
19.673687
-1.806764
other
Li6Co4O10
20
12
178.61
mp-867545
11.403845
11.23283
-2.423794
other
Ba2W12O36
50
12
679.74
mp-1223067
-6.663091
-0.126378
4.362673
other
La2Fe16Si10
28
12
354.64
mp-1192848
-3.089352
-2.483146
-4.168581
other
U8Mn1S17
26
12
585.77
mp-1212932
3.837528
3.424978
-3.850643
other
Ru6N36Cl18
60
12
1,534.45
mp-1245862
1.080843
2.445057
1.643183
other
Li6Mn3N6
15
12
151.04
mp-1224896
-6.319768
-3.787644
0.67161
other
Fe2Sb12Pd2
16
12
394.46
mp-866025
-6.409738
-2.837461
-1.765761
other
Cs1Cr5Te8
14
12
395.39
mp-1103182
-8.157142
-0.189667
2.440206
other
Zn2Ni6B4
12
12
113.24
mp-1078325
-3.107361
0.290306
2.66509
other
Pu2W2C3
7
12
94.2
mp-1194282
10.790523
12.222686
2.292367
other
K4Ti8O18
30
12
400.18
mp-1200754
-8.361713
-5.442114
3.407721
other
Nd4In21Pd10
35
12
770.74
mp-14434
-3.529649
-1.478173
-5.448256
other
K6Ge2S6
14
12
397.03
mp-773114
11.444816
8.476597
2.247736
other
Ce2U3O10
15
12
201.75
mp-1097314
-2.0601
-8.355824
1.914934
other
Mn1Ga1Fe2
4
12
995.38
mp-1176629
10.558275
0.030962
0.310502
original
Li2Mn2F8
12
12
160.64
mp-1205775
2.24961
2.00942
1.813514
other
La4B2N5
11
12
164.37
mp-755630
10.37767
12.810172
-3.78266
other
Li2V6O15
23
12
277.16
mp-22681
11.203585
10.45668
-2.164459
other
Pb4W2O10
16
12
301.12
mp-1542042
1.299773
2.304048
-5.322956
other
Cs1Hg5Cl11
17
12
593.97
mp-1225240
9.488054
8.159249
-5.850966
other
Fe3P2O10
15
12
178.65
mp-1246103
0.415938
2.534721
1.931931
other
Mn10Cd1N8
19
12
218.64
mp-1193035
9.215772
10.871095
-0.030348
other
Fe6Bi6O18
30
12
379.31