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-504570
8.510205
10.00447
0.231569
other
K6Fe2O6
14
12
250.15
mp-540969
9.955767
12.415893
-3.844079
other
V2Zn1O6
9
12
98.74
mp-1217052
12.653785
9.667781
2.158441
other
Ti6P2O1
9
12
124.26
mp-1272466
8.890015
12.740288
-0.809561
other
Zn4Co4O8
16
12
160.97
mp-1218548
-8.428192
-6.426455
2.53209
other
Sr3Sn3Au8
14
12
339.27
mp-975605
0.750973
1.068166
-3.819917
other
Pr6Ir1Cl11
18
12
494.78
mp-1102922
-6.123016
-6.041875
3.938122
other
Eu4Zn2Ge6
12
12
280.67
mp-1638910
6.891065
19.69799
-0.23269
other
Li14Mn10O24
48
12
445.89
mp-1224473
-4.169444
-0.868147
-4.580882
other
Hf2Ni1S4
7
12
125.49
mp-1215001
8.275212
1.268068
-0.044078
other
Ba3Cr1F12
16
12
389.34
mp-1208893
-1.182319
2.472014
-3.372744
other
Sn7S2I6
15
12
548.28
mp-570390
-5.481356
-6.173282
3.782548
other
Ba10Al4Ge14
28
12
822.75
mp-569431
-5.431993
-3.310324
0.528508
other
Tb3P4Pd7
14
12
233.58
mp-1218590
-5.797594
-6.569606
4.073545
other
Sr2Al2In2
6
12
166.69
mp-1201459
-8.324176
-4.430676
3.797512
other
U4Ga20Pd11
35
12
610.34
mp-777677
10.009302
0.57591
0.393046
other
Li4Fe4F16
24
12
325.73
mp-1100490
7.148721
19.632526
-0.120249
other
Li9Mn7O16
32
12
297.23
mp-1104567
10.322383
8.917595
-6.332087
other
V2P2O10
14
12
162.78
mp-28867
7.718065
10.425972
0.780597
other
Ba7Ir6O19
32
12
471.74
mp-1210872
8.58762
11.714956
-0.698503
other
Li3Ir3O6
12
12
122.23
mp-556550
5.948327
12.775932
-1.618591
other
Li4Ni2O6
12
12
94.06
mp-1219140
-2.950853
-3.791249
-3.494965
original
Sm3Y1S4
8
12
178.26
mp-29857
-4.51896
-2.761656
-3.581207
other
Bi6Se8Br2
16
12
486.44
mp-1215794
6.024426
12.858184
-2.50297
other
Zn1Co4O10
15
12
163.57
mp-579544
-6.592879
-6.47177
3.108794
other
Ca6Cu2Sn7
15
12
401.34
mp-567572
-0.601947
0.725054
-2.429648
other
Gd2C2Br2
6
12
137.96
mp-1103249
-8.06299
-5.311372
3.30124
other
Ho3Cu4Sn4
11
12
223
mp-1639208
6.261189
13.041435
-2.773328
other
Co8O12F4
24
12
236.77
mp-1181665
6.768883
7.118475
-3.81181
other
Co1Cl2O6
9
12
148.03
mp-1174498
6.720692
19.673164
-0.34122
other
Li5Mn3O8
16
12
142.6
mp-569662
-5.443168
-1.360336
-3.341154
other
V2Ni1Se4
7
12
131.95
mp-1225023
0.204002
2.197001
2.282008
other
Fe3Mo5N8
16
12
155.61
mp-1104777
11.168673
8.609068
2.589521
other
Gd6Sb2O6
14
12
270.5
mp-1175390
4.22744
19.437668
-1.829663
other
Li9Co7O16
32
12
284.66
mp-1232191
-2.956283
-2.38464
-5.877786
other
Tm4Mg4S12
20
12
508.53
mp-755368
1.829029
1.734944
2.768697
other
Zr6N6O3
15
12
187.37
mp-761530
5.89088
12.872821
-2.578444
other
Fe1Co2O6
9
12
104.29
mp-1246179
0.887606
2.277768
1.975303
other
Li2Os1N2
5
12
45.47
mp-765607
8.224552
14.63501
-1.092775
other
Na5Mn7O16
28
12
329.08
mp-1197016
-8.15874
-3.180024
4.313336
other
Lu4Ga21Ni10
35
12
529.99
mp-10985
-4.621288
-1.669639
-5.653329
other
Rb2Cu6S4
12
12
222.61
mp-1222509
6.773991
11.47189
-1.457343
other
Li4W1O6
11
12
114.44
mp-1214669
8.347956
14.051384
-0.427951
other
Ba2Mn5O10
17
12
214.88
mp-1215621
-8.14115
-5.896857
3.100233
other
Yb2Ge2Au2
6
12
126.53
mp-555287
8.420831
9.646255
-0.065983
other
Rb12Fe4O12
28
12
560.35
mp-1210283
8.315804
1.309233
-0.241921
other
Rb3Ta1F12
16
12
422.71
mp-27680
9.235597
0.578388
0.532841
other
Ba4Ni6F20
30
12
417.5
mp-752578
8.470724
7.277186
-3.660469
other
V4I4O16
24
12
445.8
mp-760758
9.545799
8.374532
-0.546567
other
Bi6O8F2
16
12
283.79
mp-1105656
-6.75762
-4.885602
5.087666
other
Sm4Mg7Ge6
17
12
384.84
mp-542623
-3.601144
-1.639559
-5.604365
other
Tl4Sn2S6
12
12
347.54
mp-1245495
1.319559
2.465963
1.682408
other
Mg8Fe3N8
19
12
229.6
mp-570322
-8.344299
-5.576284
3.225719
other
Yb2In13Pd6
21
12
454.05
mp-1019578
2.363022
2.069211
1.554273
other
Ca10Si4N12
26
12
369.98
mp-1214493
7.745932
4.882842
-5.834329
other
Ba2C4O10
16
12
251.34
mp-21497
10.136099
5.749946
-4.981578
other
Pb4S2O10
16
12
250.63
mp-1215351
12.449705
8.816873
2.741562
other
Zr6Fe2O1
9
12
174.56
mp-29027
-1.242179
1.599423
-3.038405
other
Ta2I4O2
8
12
224.23
mp-1175360
6.55991
20.284052
-0.224586
other
Li7Mn5O12
24
12
224.71
mp-758469
6.572811
13.119793
-1.327695
other
Li3Fe4O8
15
12
144.05
mp-1246245
1.4698
1.796255
1.288028
other
Ba8Fe3N8
19
12
428.95
mp-2227097
8.885801
14.874122
-0.313109
other
Mg1Mn2O4
7
12
78.34
mp-1220354
-5.69795
-1.520965
1.926131
other
Ni5Mo12As18
35
12
563.95
mp-1100498
7.136032
19.66152
-0.124237
other
Li9Mn7O16
32
12
298.19
mp-1180248
6.799872
6.666745
-3.67244
other
Na2Pd1O6
9
12
120.33
mp-1221262
12.207129
11.015007
-1.17717
other
Na4W5O15
24
12
289.07
mp-1224201
-7.738625
1.063068
4.99582
other
Ho2Fe17C1
20
12
261.45
mp-1225600
-8.379678
-4.951887
3.539019
other
Er2Ge2Pd2
6
12
117.95
mp-568628
1.366026
2.343871
-5.29509
other
Cs1Hg5Cl11
17
12
505.23
mp-26834
13.051085
8.161483
-7.210005
other
V2P8O24
34
12
526.12
mp-27656
-2.505751
-0.426717
-5.387516
other
Zn4P6S18
28
12
663.3
mp-1238890
-5.198133
0.264576
-5.641312
other
Cr2Hg1S4
7
12
147.41
mp-1198472
11.478438
13.34135
-3.09502
other
Li2V18O39
59
12
704.13
mp-1228785
11.137257
10.001681
1.297155
other
Ba12V4O19
35
12
657.06
mp-777472
9.846472
0.906324
0.151037
other
Li4Fe4F16
24
12
332.29
mp-1048662
-3.954754
-0.245547
-4.531469
other
Ca1Ti4S8
13
12
280.14
mp-7193
12.445292
6.511746
0.084431
other
Lu2Si2O7
11
12
135.37
mp-30521
2.202901
2.079406
1.610873
other
Th2C2N2
6
12
102.35
mp-752881
-4.455197
-1.388883
-5.735482
other
Li2Cu1S2
5
12
83.87
mp-1209916
7.854634
9.140147
0.041976
other
Nd4Ta4O18
26
12
377.47
mp-850880
7.631841
7.185956
-1.603999
other
Fe8O10F6
24
12
270.95
mp-1214886
8.547187
1.203306
0.189134
other
Ba3Si1F12
16
12
280.65
mp-8800
-5.304505
-2.896208
-4.501287
other
Tl2Cu6Se4
12
12
239.85
mp-1245549
-3.882353
-2.149266
-4.59942
other
Bi4S3N2
9
12
209.66
mp-1078162
-5.256704
-1.742817
-2.742972
other
Fe1Rh2Se4
7
12
130.62
mp-1252778
8.202806
10.882483
-1.911453
other
Al10Co6O24
40
12
400.6
mp-27480
9.183033
2.779671
1.686714
other
Sn4O2F4
10
12
185.47
mp-1210249
6.983819
8.64064
-1.321854
other
Na10Ce2O12
24
12
334.65
mp-1238845
-5.250616
-0.167289
-5.706552
other
Cs1Cr2S4
7
12
169.51
mp-31026
8.780969
1.199967
1.441988
other
Ba6Zn7F26
39
12
552.78
mp-1180396
6.511739
6.119104
-3.879649
other
Mg1Cl2O6
9
12
159.28
mp-1206355
10.784015
8.87779
3.03068
other
Ce2C2O2
6
12
90.02
mp-675372
10.626172
9.961292
3.893997
other
Ca2Zr8O18
28
12
357.01
mp-22643
-7.646893
-3.315721
5.356204
other
Tb3Co2Ge4
9
12
172.09
mp-551741
12.984088
6.299352
-6.436135
other
Zn2P2O7
11
12
123.01
mp-1215071
8.287807
1.29105
-0.168496
other
Ba3Rh1F12
16
12
374.66
mp-540544
-3.080405
-2.510123
-4.125703
other
U8Cr1S17
26
12
578.47
mp-1173492
10.864259
12.135345
2.104121
other
Nb4Ni2O12
18
12
212.64
mp-780692
12.067384
-0.653623
1.120284
other
Mn8O4F12
24
12
299.83
mp-2234285
11.333299
13.006258
1.005784
other
Ti2Mn2O6
10
12
113.84