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-1038949
-7.736992
-9.733191
6.48321
other
Ce1Mg5
6
189
155.84
mp-33056
-3.971509
-6.299912
2.201462
other
Rb6C5
11
189
421.87
mp-1094448
-7.671707
-10.805691
4.973445
other
Mg4Zn2
6
189
118.88
mp-972954
-7.343957
-7.101049
2.532125
other
Mg2Cd4
6
189
127.08
mp-1094656
-7.074098
-10.687279
5.069301
other
Mg4Ga2
6
189
124.48
mp-1094392
-7.156772
-6.80563
6.960885
other
Y5Mg1
6
189
186.72
mp-864996
-7.51435
-10.184656
6.335834
other
Ac1Mg5
6
189
163.78
mp-1094702
-5.111162
-7.350101
3.834737
other
Ca5Mg1
6
189
234.75
mp-567244
-6.686915
-10.107874
4.363602
other
Mg6Tl3
9
189
207.81
mp-1094462
-9.274536
-5.935784
3.485063
other
Mg1Zn5
6
189
90.4
mp-9063
-4.706679
-2.825212
-3.781642
other
Rb6Se6
12
189
473.25
mp-20061
-7.84624
-3.317721
2.667711
other
Ge3Pt6
9
189
139.47
mp-778
-6.434535
-0.378171
2.303154
other
Fe6P3
9
189
98.26
mp-1185852
-8.543366
-5.855933
1.98618
other
Mg1Au5
6
189
104.64
mp-1554
-5.925133
-3.518338
-1.918067
original
K6Te6
12
189
518.81
mp-1039084
-6.256101
-6.042004
5.771895
other
Ce5Mg1
6
189
159.41
mp-30839
-8.330781
-4.916677
3.453643
other
Th3Pd5
8
189
178.07
mp-1094498
-7.752292
-10.073939
6.559082
other
Mg5Ti1
6
189
131.12
mp-1094983
-7.274379
-11.209835
4.341097
other
Mg5Bi1
6
189
148.23
mp-568536
-1.251481
1.915573
-1.511971
other
Ba3I6
9
189
388.43
mp-1185887
-7.43209
-7.481028
1.800202
other
Mg1Hg5
6
189
145.89
mp-1185814
-7.451363
-10.397913
4.878403
other
Mg5Hg1
6
189
127.54
mp-1102993
-4.916938
-5.132249
0.483458
other
Eu6As6
12
189
342.24
mp-1094371
-4.990157
-3.053494
4.125032
other
Mg2Ti4
6
189
112.09
mp-1094334
-6.070042
-10.71387
5.679176
other
Sr2Mg4
6
189
195.58
mp-1094541
-6.907268
-10.04478
3.212898
other
Mg4Sb2
6
189
145.62
mp-1185816
-7.706078
-10.171973
5.204343
other
Mg5Pd1
6
189
115.49
mp-1094747
-7.247069
-10.736796
4.715343
other
Mg4Cd2
6
189
128.38
mp-1101926
-4.918134
-5.13521
0.489634
other
Eu6As6
12
189
344.16
mp-1094540
-7.220041
-11.162284
4.542394
other
Mg5Sb1
6
189
141.04
mp-578
-8.000576
-6.688538
2.287573
original
Ga3Ag6
9
189
150.82
mp-1025404
-8.445274
-4.971896
3.306408
other
Ce3Pd5
8
189
172.26
mp-1185629
-6.609941
-6.833078
2.885653
other
Mg2In4
6
189
146.83
mp-1094517
-6.921773
-10.464911
4.230327
other
Mg4Sn2
6
189
144.43
mp-1094254
-5.641596
-3.872665
3.72302
other
Zr5Sn1
6
189
138.12
mp-571598
-8.514003
-5.849697
2.088205
other
Ga6Au21
27
189
463.6
mp-1185801
-7.395877
-10.308033
4.764536
other
Mg5Ag1
6
189
123.2
mp-9062
-3.697667
-1.400594
-5.268763
other
Rb6S6
12
189
418.74
mp-1094264
-4.85504
-7.440998
3.556011
other
Sr4Mg2
6
189
257.62
mp-1207128
-8.183602
-4.172162
3.358933
other
Th3Pt5
8
189
176.33
mp-1039528
-6.308428
-10.431279
5.825454
other
Ca2Mg4
6
189
172.82
mp-11584
-7.611878
-6.523808
6.795354
other
Lu8Te1
9
189
257.13
mp-1038834
-6.393107
-7.090288
1.181505
other
Mg4Bi2
6
189
157.3
mp-9064
-5.957305
-3.615785
-1.822206
other
Rb6Te6
12
189
581.42
mp-2849
-3.092535
-2.623657
-3.959675
other
U3S6
9
189
186.61
mp-1039288
-6.619872
-6.059137
5.485845
other
Ce4Mg2
6
189
162.54
mp-888
-4.768887
-5.298805
0.507496
other
Ca6As6
12
189
319
mp-1094223
-6.407204
-6.246385
2.130487
other
Mg2Sn4
6
189
150.09
mp-13446
-6.565894
-0.484138
1.88255
other
Co6P3
9
189
94.76
mp-30218
-5.081576
-2.21788
2.614875
other
Ti6P3
9
189
132.47
mp-1094393
-7.345691
-6.836668
6.674613
other
Y4Mg2
6
189
178.29
mp-349
-4.356745
-5.19683
5.639956
other
Yb3Si5
8
189
175.24
mp-1345
-3.699681
-4.610166
0.620342
other
Ca6P6
12
189
290.25
mp-1038937
-5.167264
-7.350438
3.97535
other
Ca4Mg2
6
189
209.88
mp-1094629
-6.322366
-5.845824
3.736099
other
Mg2Ga4
6
189
111.05
mp-1094742
-7.47586
-6.938229
2.371404
other
Mg1Cd5
6
189
129.47
mp-1181016
-3.967393
-7.333076
2.389176
other
K6Re3
9
189
268.54
mp-423
-8.140599
-4.191298
1.905592
other
Ge3Pd6
9
189
135.71
mp-1849
-5.967674
-0.775537
2.038786
other
Mn6P3
9
189
103.57
mp-1185922
-6.745183
-6.578244
2.66824
other
Mg1In5
6
189
154.03
mp-1094292
-4.927723
-7.527348
3.579826
other
Sr5Mg1
6
189
291.09
mp-1084834
-3.830849
-7.324212
1.965078
other
K6Tc3
9
189
406.05
mp-1021484
-4.135271
-3.956752
-3.329195
other
Ce3Se6
9
189
218.93
mp-1094606
-7.322729
-10.864339
5.302886
other
Mg5Ga1
6
189
127.07
mp-1094156
-6.9432
-11.026987
5.551522
other
Li2Mg4
6
189
128.16
mp-1077026
-4.958185
-4.838796
5.865951
other
Y3Si3
6
189
171.55
mp-1187963
-5.966047
-7.302407
4.447009
other
Yb5Mg1
6
189
221.61
mp-573514
-4.909242
-6.169296
0.58507
other
Cs8Sb8
16
19
775.84
mp-1209240
7.538144
7.111151
-4.374276
other
S4O20
24
19
394.02
mp-729933
5.017303
3.770219
-4.516055
other
C4O4
8
19
208.84
mp-562054
7.213254
7.206156
-3.675634
other
Xe4O12
16
19
280.88
mp-1014333
5.638613
2.451169
-3.33692
other
C12N4
16
19
188.49
mp-28410
-3.694354
-4.044488
0.606234
other
Th4P28
32
19
604.4
mp-1193140
-3.254359
-0.991684
-5.136017
other
Cs8S20
28
19
929.2
mp-1181222
3.547461
-0.475456
-2.537875
other
Ge4H16
20
19
334.57
mp-542814
15.461714
5.738077
0.336677
other
Si24O48
72
19
1,071.04
mp-1214161
6.917344
8.611299
-2.97055
other
Be4O8
12
19
147.62
mp-7456
8.92698
2.07975
1.462665
other
Sn4F8
12
19
213.3
mp-7444
-4.995452
-6.138656
0.540805
other
Rb8Sb8
16
19
695.73
mp-734819
8.233312
2.177789
-0.808139
other
Sb8F48
56
19
1,011.13
mp-21858
11.235591
9.078438
1.039268
other
U4O12
16
19
220.15
mp-561224
10.344884
9.19978
-2.157777
other
Te4O8
12
19
178.49
mp-1212209
5.715971
3.612325
-3.876514
other
I4N16
20
19
300.61
mp-1096864
5.969179
2.991242
-3.304176
other
C12N4
16
19
167.28
mp-27820
6.455142
0.305998
-3.458703
other
B56H80
136
19
1,278.27
mp-734416
6.293937
5.539447
-4.301426
other
N4O24
28
19
433.17
mp-1096957
0.694219
3.069731
1.549754
other
Cr24N48
72
19
1,459.51
mp-23317
-0.486336
1.329428
-4.047807
other
As4Br12
16
19
560.74
mp-1179728
8.153399
1.500555
-0.479084
other
Rb4F12
16
19
286.11
mp-1180438
6.331834
5.558763
-4.273059
other
N4O24
28
19
444.35
mp-867934
8.112361
1.545667
-0.657676
other
K8F24
32
19
554.24
mp-558226
10.481284
3.490298
-4.112234
other
H24O12
36
19
250.26
mp-685014
-0.433188
1.221233
-4.431519
other
In32Br48
80
19
2,978.49
mp-1106142
5.608018
3.492937
-3.933305
other
Br4N16
20
19
320.92
mp-1095694
-3.957885
-1.471073
-5.506853
other
Ag8S4
12
19
219.21
mp-1180282
5.851712
4.894006
-4.334095
other
N4O4
8
19
128.66
mp-23280
2.13107
2.541399
-4.669766
other
As4Cl12
16
19
483.54
mp-32684
2.241847
2.404862
-3.797536
other
H4Br4
8
19
220.63
mp-8377
10.324108
9.196712
-2.13965
other
Te4O8
12
19
187.38
mp-7595
8.961877
2.259153
1.375364
other
Ge4F8
12
19
189.39