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-1233339
7.877782
11.130422
-0.200333
other
Ca1Ag4Ru4O12
21
160
278.07
mp-1222649
10.804976
12.610578
1.806063
other
Li2Mg1Ti3O8
14
160
150.97
mp-1228150
9.958093
10.538708
3.369205
other
Ba3La1Nb3O12
19
160
275.18
mp-1221889
-6.482991
-3.013013
0.743229
other
Mn2Cu1Ni1Sb2
6
160
108.51
mp-1182357
8.078549
0.553011
-4.333119
other
B1H12C3N1
17
160
176.66
mp-1217741
-9.203924
-4.426581
3.977844
other
Th1U4Cu20Pd5
30
160
442.85
mp-2228220
-5.132591
-0.69017
-4.713705
other
Mg1Fe1Ag1S2
5
160
86.68
mp-1215703
8.745515
13.209279
-1.096227
other
Zn1Fe4Ni1O8
14
160
148.74
mp-1224279
0.729029
1.683129
2.626701
other
Hf1Ti1C1N1
4
160
44.26
mp-1215669
10.332478
10.065535
1.458138
other
Zr3Te1Pb4O13
21
160
321.39
mp-1216358
-6.221897
-2.897317
-2.346383
other
V1Cu3Te3Se1
8
160
197.45
mp-1222536
-6.098456
-6.335935
0.919907
other
Li3Mg5Bi3Pb1
12
160
324.89
mp-2222762
12.508793
9.618556
1.715951
other
Sm1Mg1Ti1O3
6
160
80.72
mp-1225495
10.015793
12.227592
0.48334
other
Er1Mn1Fe1O4
7
160
88.68
mp-773330
8.64323
14.932657
-0.76892
other
Li2Mn3Sn1O8
14
160
154.8
mp-2228617
-5.046908
-0.018104
-5.232033
other
Mg1V4Cu2S8
15
160
255.33
mp-2210757
12.504313
9.906529
1.927158
other
Eu1Mg1Ti1O3
6
160
80.33
mp-759907
5.69619
11.973551
-1.847481
other
Li2Fe3Cu1O8
14
160
146.23
mp-1219089
9.97179
9.234368
-0.623737
other
Sn3Te1Pb4O13
21
160
312.59
mp-1225270
-5.371696
-2.514232
-3.931305
other
Fe1Cu2Sn1Se4
8
160
194.21
mp-1221969
8.659587
13.348693
-1.056491
other
Mg1Fe4Ni1O8
14
160
154.82
mp-1218892
-5.551201
-3.487329
-2.461593
other
Sn1Te1Pb1Se1
4
160
126.66
mp-1217996
-5.281085
-2.584688
-4.170316
other
Ta1Cu3Se3S1
8
160
181.92
mp-1229140
-4.662099
-2.752274
-3.853662
other
Ag2Sn1Bi1Se4
8
160
200.49
mp-1236132
11.846869
11.887027
-0.16866
other
Li1Ti1Fe5O8
15
160
170.79
mp-1226894
-4.569559
-2.114952
-4.968869
other
Cd1In2Se2S2
7
160
204.84
mp-2227022
10.40585
12.934143
-0.516422
other
Mg1Fe1Au1O2
5
160
66.09
mp-1226759
-8.259891
-6.101642
2.372062
other
Cd1In2Sn1Au2
6
160
149.65
mp-1219543
9.723597
9.816478
-0.416424
other
Sb3Rh1Pb4O13
21
160
301.92
mp-777624
12.298158
11.479946
-1.284702
other
Li9V3W7O28
47
160
625.33
mp-1219895
-1.108611
2.827955
-3.118119
other
Rb15Bi3I30O6
54
160
2,362.56
mp-1246349
-5.382287
-0.05804
-5.549519
other
Mg1V1Cr3S8
13
160
246.22
mp-1247153
-4.898468
0.244325
-5.3462
other
Mg2Sc1W3S8
14
160
270.34
mp-755444
6.806252
13.1793
-1.319407
other
Li1Zn1Fe4O8
14
160
152.74
mp-1233935
11.981397
7.980997
-1.070816
other
Ca1In4Ge4O14
23
160
274.1
mp-2228588
-5.508881
-0.623666
-4.35688
other
Mg1Zn1Co4S8
14
160
241.56
mp-23664
8.749944
3.312087
-5.587477
other
Y1H3C3O6
13
160
127.18
mp-1247432
-5.138958
0.430078
-5.583794
other
Mg2Al1W3S8
14
160
266.1
mp-1221752
-5.627355
-0.347029
-5.791331
other
Mn1Cr8Cu3S16
28
160
488.2
mp-1225673
-3.707644
-2.715742
-2.011243
other
Cu1Ge1P1Se1
4
160
84.21
mp-2225320
11.099904
12.157579
-0.14406
other
Mg1Fe1Cu1O2
5
160
65.08
mp-831271
12.149924
0.733795
0.717742
other
Li1Fe3O3F4
11
160
141.42
mp-1222272
11.137993
8.538073
0.858323
other
Lu1Ga1Co1O4
7
160
85.7
mp-2210641
12.110887
10.605714
0.334611
other
K1Mg1Mo1O3
6
160
86.53
mp-2210611
11.298434
10.819215
0.58178
other
Na1Mg1Mn1O2
5
160
73.41
mp-2226474
9.401442
14.688821
-0.392962
other
Mg1Mn5O7F1
14
160
168.11
mp-1307013
12.741293
12.76331
-0.659208
other
Li4V6Te2O16
28
160
326.95
mp-2218134
11.114987
1.305472
2.028321
other
Mg1Fe3O1F7
12
160
162.4
mp-775319
8.172022
14.498609
-1.221264
other
Li2Mn3Ni1O8
14
160
142.42
mp-2228281
10.914414
10.822089
0.500351
other
Na1Mg1Co1O2
5
160
67.59
mp-1215297
10.648473
10.763538
2.606938
other
Zr1Ti1Pb2O6
10
160
140.21
mp-1224360
-3.591762
-0.202141
2.864279
other
Hf1Nb2V1C4
8
160
88.75
mp-1233228
13.088124
8.314482
-0.267438
other
Mg1Sc4Si4O14
23
160
218.97
mp-775190
11.342483
13.701525
-1.741093
other
Li2V3Cu1O8
14
160
145.41
mp-1222382
-5.460718
-0.178418
-5.860242
other
Li1Cr4In1S8
14
160
266.44
mp-2223688
12.041771
11.264281
0.263576
other
Na1Mg1V1O3
6
160
72.45
mp-1215264
-7.952346
-1.497703
4.01089
other
Zr1Sc1V1Ni3
6
160
87.67
mp-1215656
8.593512
13.280867
-1.113457
other
Zn1Fe4Cu1O8
14
160
154.63
mp-759115
10.748971
1.107969
1.890334
other
Li1Mn5O3F5
14
160
188.92
mp-756823
8.227082
15.696198
-0.4877
other
Li1Mg2Mn3O8
14
160
149.33
mp-1221896
-6.531064
-3.27169
0.715935
other
Mn2Cu1Sb2Pt1
6
160
118.96
mp-554051
8.901099
1.225171
-4.262139
other
H6C1N1F1
9
160
79.33
mp-777686
11.579293
11.612056
-1.742193
other
Li9Mn3W7O28
47
160
634.05
mp-1221853
9.292014
13.546042
-0.847975
other
Mn3Zn1Fe8O16
28
160
316.68
mp-1221535
-6.947154
-3.205594
0.828656
other
Mn2Sb2Pt1Rh1
6
160
119.44
mp-1222098
-5.578448
-0.432885
-5.694291
other
Mn3Cr8Cu1S16
28
160
508.77
mp-1215588
7.486667
9.816896
-1.126067
other
Yb1Ga1Cu1O4
7
160
86.48
mp-2227658
13.946202
8.026209
-2.286019
other
Mg1Co1H1O2
5
160
56.09
mp-1224914
9.884388
9.646687
-0.246925
other
Ga1Sb3Pb4O13
21
160
298.82
mp-776015
10.492723
13.039652
1.171189
other
Li8Ti12Ni4O32
56
160
604.56
mp-1217933
0.990119
1.726461
2.655641
other
Ta1Nb1C1N1
4
160
45.04
mp-1226870
-9.064667
-1.561589
2.864388
other
Ce1Y1Mg2Ni8
12
160
170.9
mp-1228183
8.717659
10.750757
0.837101
other
Ba4Re2Ni1O12
19
160
282.1
mp-1234638
10.853974
9.234324
0.525008
other
Dy6Mg1Sb10O24
41
160
651
mp-1219723
2.108612
1.624829
1.822621
other
Pr1Th1C1N1
4
160
74.32
mp-1233058
7.738394
11.258105
0.356537
other
Ca1Yb4Ru4O14
23
160
283.09
mp-557510
-4.468565
-1.380823
-5.669187
other
Cu3Te1S3Cl1
8
160
162.98
mp-1217313
-6.127622
-2.253205
4.070626
other
Ti8Ga3Co4Si1
16
160
223.54
mp-2226109
11.16821
10.428242
1.101735
other
Eu1Mg1Fe1O3
6
160
87.22
mp-1219436
11.346286
8.677386
3.010431
other
Sc2Al4C3O3
12
160
139.78
mp-1224742
-5.495379
-0.861256
-4.049541
other
Fe2Cu1Rh3S8
14
160
224.59
mp-1228399
11.018745
11.897703
-3.262124
other
Ba2Sr1V2O8
13
160
208.89
mp-1236209
6.704099
5.67863
-3.179012
other
Li1Ag1Cl1O4
7
160
140.86
mp-1221893
-6.663485
-3.134945
0.859881
other
Mn2Co1Ni1Sb2
6
160
109.99
mp-1222426
5.033503
2.672756
-3.714313
other
Li1C1N1O1
4
160
44.58
mp-2232210
9.894606
12.533543
-0.62387
other
Na1Mg1Fe5O8
15
160
180.82
mp-1222618
-3.41843
-4.20473
0.67528
other
Li2Zn1Cd1P2
6
160
102.9
mp-1223553
8.98914
0.680413
0.873456
other
K1Ba2Ni2F9
14
160
207.18
mp-1221617
-4.732646
-1.989799
-4.909588
other
Mn1In2Se2S2
7
160
183.78
mp-2223672
10.080635
8.873002
0.460231
other
Rb1Mg1Sb1O3
6
160
129.05
mp-1174300
3.19501
21.972275
-1.685392
other
Li5Mn1Co2O8
16
160
148.88
mp-757140
7.515594
9.589264
-3.301886
other
K3Mn1Cr1O8
13
160
215.43
mp-1246453
-5.276691
0.436899
-5.492265
other
Mg2Fe1W3S8
14
160
258.24
mp-2218203
10.894051
1.238009
1.907664
other
Mg1Fe3O1F7
12
160
160.86
mp-2242203
12.052094
10.542773
0.333569
other
Rb1Mg1Mo1O3
6
160
90.15
mp-1226842
-4.807121
-4.793708
0.03066
other
Cd1Ga4As4S1
10
160
242.05
mp-1216424
-7.886746
-1.032002
3.375995
other
V1Co1Ni1Pd1
4
160
50.56
mp-1219599
8.976037
0.632325
0.872928
other
Rb1Ba2Ni2F9
14
160
211.74
mp-1215744
7.48872
10.981251
-1.165467
other
Yb1Ga1Co1O4
7
160
85.55
mp-761669
10.555441
13.097705
1.181387
other
Li8Ti12Co4O32
56
160
600.77