mp_id
stringlengths 4
38
| elements
listlengths 1
10
| atomic_numbers
listlengths 1
200
| num_atoms
int32 1
200
| num_elements
int32 1
10
| fractional_coords
listlengths 1
200
| lattice
dict | spacegroup_number
int32 0
230
| reduced_formula
stringlengths 1
24
| tier
stringclasses 3
values | is_li_containing
bool 2
classes | num_li_atoms
int32 0
104
⌀ | band_gap
float32 0
17.9
⌀ | energy_above_hull
float32 0
9.71
⌀ | formation_energy_per_atom
float32 -5.15
8.99
⌀ | is_metal
bool 2
classes | source_tags
listlengths 1
5
⌀ | source
stringclasses 4
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:OQMD_501415
|
[
"Be",
"Al",
"Pa"
] |
[
91,
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91,
91,
4,
4,
4,
4,
4,
4,
4,
4,
13,
13,
13,
13
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| 3
|
[
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0
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0.5,
0,
0
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[
0.5,
0.5,
0.5
]
] |
{
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"gamma": 90
}
| 225
|
PaBe2Al
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501427
|
[
"Be",
"As",
"Sr"
] |
[
38,
38,
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38,
4,
4,
4,
4,
4,
4,
4,
4,
33,
33,
33,
33
] | 16
| 3
|
[
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0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
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[
0.5,
0.5,
0.5
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] |
{
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"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
SrBe2As
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_y9u6VreL6-1BO_l-mKopajbR85Jn
|
[
"Be",
"K",
"Ge"
] |
[
19,
19,
19,
19,
4,
4,
4,
4,
4,
4,
4,
4,
32,
32,
32,
32
] | 16
| 3
|
[
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0.5
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[
0.5,
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0.5
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[
0.5,
0.5,
0
]
] |
{
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"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KBe2Ge
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501458
|
[
"Be",
"Ni",
"Y"
] |
[
39,
39,
39,
39,
4,
4,
4,
4,
4,
4,
4,
4,
28,
28,
28,
28
] | 16
| 3
|
[
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0.5,
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]
] |
{
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"gamma": 90
}
| 225
|
YBe2Ni
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501471
|
[
"Be",
"Ba",
"Tl"
] |
[
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56,
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4,
4,
4,
4,
4,
4,
4,
81,
81,
81,
81
] | 16
| 3
|
[
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[
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0
]
] |
{
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"gamma": 90
}
| 225
|
BaBe2Tl
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501486
|
[
"Be",
"Y",
"Lu"
] |
[
39,
39,
39,
39,
71,
71,
71,
71,
4,
4,
4,
4,
4,
4,
4,
4
] | 16
| 3
|
[
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0.75,
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[
0.75,
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]
] |
{
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}
| 225
|
YLuBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501507
|
[
"Be",
"Cr",
"Ni"
] |
[
4,
4,
4,
4,
4,
4,
4,
4,
24,
24,
24,
24,
28,
28,
28,
28
] | 16
| 3
|
[
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0.25
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[
0.75,
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0,
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
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"gamma": 90
}
| 225
|
Be2CrNi
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501525
|
[
"Be",
"Cd",
"Ce"
] |
[
58,
58,
58,
58,
4,
4,
4,
4,
4,
4,
4,
4,
48,
48,
48,
48
] | 16
| 3
|
[
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0
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0,
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[
0.5,
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] |
{
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}
| 225
|
CeBe2Cd
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501540
|
[
"Be",
"As",
"Pr"
] |
[
59,
59,
59,
59,
4,
4,
4,
4,
4,
4,
4,
4,
33,
33,
33,
33
] | 16
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|
[
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[
0.5,
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0
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[
0.5,
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0.5
]
] |
{
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}
| 225
|
PrBe2As
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501557
|
[
"Be",
"As",
"La"
] |
[
57,
57,
57,
57,
4,
4,
4,
4,
4,
4,
4,
4,
33,
33,
33,
33
] | 16
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|
[
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0
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0.5,
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[
0.5,
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]
] |
{
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}
| 225
|
LaBe2As
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501576
|
[
"Be",
"Bi",
"Pu"
] |
[
94,
94,
94,
94,
4,
4,
4,
4,
4,
4,
4,
4,
83,
83,
83,
83
] | 16
| 3
|
[
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0
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0,
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0
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0.5,
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] |
{
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}
| 225
|
PuBe2Bi
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501592
|
[
"Be",
"Cu",
"Cs"
] |
[
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55,
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55,
4,
4,
4,
4,
4,
4,
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4,
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29,
29,
29
] | 16
| 3
|
[
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]
] |
{
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}
| 225
|
CsBe2Cu
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501612
|
[
"Be",
"Cd",
"Yb"
] |
[
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70,
4,
4,
4,
4,
4,
4,
4,
4,
48,
48,
48,
48
] | 16
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|
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0
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0.5,
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0
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[
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]
] |
{
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}
| 225
|
YbBe2Cd
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501628
|
[
"Be",
"Sm",
"Re"
] |
[
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62,
62,
4,
4,
4,
4,
4,
4,
4,
4,
75,
75,
75,
75
] | 16
| 3
|
[
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| 225
|
SmBe2Re
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501642
|
[
"Be",
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[
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52,
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82,
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| 225
|
Be2TePb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501654
|
[
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| 225
|
Be2GeW
|
general_inorganic
| false
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external_cif_tar
|
tar:NOMAD_BzRv22tNEdlz29U7Ub3cz0G5Goep
|
[
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| 225
|
Be2NbPt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501681
|
[
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[
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| 225
|
SrBe2Zn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501693
|
[
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[
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| 225
|
TbBe2Pt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501712
|
[
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| 225
|
ZrBe2Sb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501726
|
[
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| 225
|
AcDyBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501742
|
[
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|
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| 225
|
PuScBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501757
|
[
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[
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|
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| 225
|
NpPaBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501766
|
[
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|
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| 225
|
NaPaBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501780
|
[
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[
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|
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| 225
|
PmBe2Pd
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501795
|
[
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|
[
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{
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| 225
|
Be2ReHg
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501809
|
[
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|
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| 225
|
ThBe2B
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501839
|
[
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|
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[
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[
0.5,
0,
0
],
[
0.5,
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]
] |
{
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}
| 225
|
Be2CrB
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501850
|
[
"Be",
"Sm",
"Pt"
] |
[
62,
62,
62,
62,
4,
4,
4,
4,
4,
4,
4,
4,
78,
78,
78,
78
] | 16
| 3
|
[
[
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0
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0.5,
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] |
{
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}
| 225
|
SmBe2Pt
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501864
|
[
"Be",
"Sn",
"Np"
] |
[
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93,
93,
93,
4,
4,
4,
4,
4,
4,
4,
4,
50,
50,
50,
50
] | 16
| 3
|
[
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]
] |
{
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}
| 225
|
NpBe2Sn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501880
|
[
"Be",
"Os",
"Pb"
] |
[
4,
4,
4,
4,
4,
4,
4,
4,
76,
76,
76,
76,
82,
82,
82,
82
] | 16
| 3
|
[
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]
] |
{
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}
| 225
|
Be2OsPb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501892
|
[
"Be",
"Zr",
"Sm"
] |
[
62,
62,
62,
62,
40,
40,
40,
40,
4,
4,
4,
4,
4,
4,
4,
4
] | 16
| 3
|
[
[
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[
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]
] |
{
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}
| 225
|
SmZrBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501903
|
[
"Be",
"Ta",
"Os"
] |
[
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73,
73,
73,
4,
4,
4,
4,
4,
4,
4,
4,
76,
76,
76,
76
] | 16
| 3
|
[
[
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0
],
[
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0,
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0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
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}
| 225
|
TaBe2Os
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501924
|
[
"Be",
"Ru",
"Ce"
] |
[
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58,
58,
58,
4,
4,
4,
4,
4,
4,
4,
4,
44,
44,
44,
44
] | 16
| 3
|
[
[
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0
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[
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[
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0.5,
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[
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]
] |
{
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}
| 225
|
CeBe2Ru
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501938
|
[
"Be",
"B",
"Ac"
] |
[
89,
89,
89,
89,
4,
4,
4,
4,
4,
4,
4,
4,
5,
5,
5,
5
] | 16
| 3
|
[
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0.5,
0,
0.5
],
[
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0
]
] |
{
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}
| 225
|
AcBe2B
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501954
|
[
"Be",
"Pd",
"Te"
] |
[
4,
4,
4,
4,
4,
4,
4,
4,
52,
52,
52,
52,
46,
46,
46,
46
] | 16
| 3
|
[
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[
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[
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],
[
0.5,
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0
],
[
0.5,
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0.5
]
] |
{
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}
| 225
|
Be2TePd
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_501985
|
[
"Be",
"Lu",
"Pb"
] |
[
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71,
71,
71,
4,
4,
4,
4,
4,
4,
4,
4,
82,
82,
82,
82
] | 16
| 3
|
[
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],
[
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]
] |
{
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}
| 225
|
LuBe2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502001
|
[
"Be",
"W",
"Pt"
] |
[
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4,
4,
4,
4,
4,
4,
4,
78,
78,
78,
78,
74,
74,
74,
74
] | 16
| 3
|
[
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[
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[
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[
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]
] |
{
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}
| 225
|
Be2PtW
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502017
|
[
"Be",
"Rh",
"Pr"
] |
[
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59,
59,
59,
4,
4,
4,
4,
4,
4,
4,
4,
45,
45,
45,
45
] | 16
| 3
|
[
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],
[
0.5,
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0.5
],
[
0.5,
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0
]
] |
{
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}
| 225
|
PrBe2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502032
|
[
"Be",
"In",
"Tl"
] |
[
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4,
4,
4,
4,
4,
4,
4,
81,
81,
81,
81,
49,
49,
49,
49
] | 16
| 3
|
[
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[
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[
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[
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0
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[
0.5,
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0
],
[
0.5,
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]
] |
{
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}
| 225
|
Be2TlIn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502052
|
[
"Be",
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"In"
] |
[
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4,
4,
4,
4,
4,
4,
4,
13,
13,
13,
13,
49,
49,
49,
49
] | 16
| 3
|
[
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[
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[
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[
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[
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],
[
0.5,
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],
[
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0.5,
0
]
] |
{
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}
| 225
|
Be2AlIn
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502064
|
[
"Be",
"Co",
"Mo"
] |
[
4,
4,
4,
4,
4,
4,
4,
4,
27,
27,
27,
27,
42,
42,
42,
42
] | 16
| 3
|
[
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0.25
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[
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0.75,
0.25
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[
0.75,
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[
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|
Be2CoMo
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502079
|
[
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[
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DyBe2W
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502097
|
[
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CeThBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502112
|
[
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[
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AcGdBe2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502125
|
[
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| 225
|
Be2AsPb
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502136
|
[
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[
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| 225
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DyBe2Ni
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502150
|
[
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| 225
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MnBe2Ag
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502160
|
[
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[
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| 225
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YPaBe2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502177
|
[
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[
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| 225
|
LaBe2Ga
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_dAXXr9iBYPrFiB2h1vXd_kbwlKOk
|
[
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| 225
|
SrBe2Fe
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502210
|
[
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[
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| 225
|
ThPaBe2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502228
|
[
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| 225
|
NdReRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502244
|
[
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| 225
|
VInRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502275
|
[
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| 225
|
PrTmRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502289
|
[
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| 225
|
CeRu2Rh
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502305
|
[
"Ru",
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[
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44,
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|
ThBiRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502321
|
[
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|
HfRu2Pb
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502336
|
[
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|
LuPuRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502352
|
[
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| 225
|
PrOsRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502383
|
[
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[
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| 225
|
AsRu2Au
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502402
|
[
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[
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| 225
|
ErOsRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502417
|
[
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[
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44,
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| 225
|
DyHgRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502433
|
[
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[
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44,
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44,
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| 225
|
CsCdRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502445
|
[
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[
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|
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| 225
|
BaHgRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502473
|
[
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[
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44,
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|
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| 225
|
TaCrRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502492
|
[
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[
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|
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| 225
|
ErBRu2
|
general_inorganic
| false
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external_cif_tar
|
tar:OQMD_502509
|
[
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|
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| 225
|
TlCoRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502523
|
[
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[
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|
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| 225
|
InRu2Au
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502537
|
[
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[
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44,
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|
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0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.920817852020264,
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"c": 6.920817852020264,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsNpRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:NOMAD_NGB6vbC8nsuREEadx_htOs3HG_oU
|
[
"Si",
"Ru",
"In"
] |
[
49,
49,
49,
49,
14,
14,
14,
14,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.185738563537598,
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"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
InSiRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502567
|
[
"Ru",
"Cs",
"Pu"
] |
[
55,
55,
55,
55,
94,
94,
94,
94,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
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[
0.25,
0.75,
0.25
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[
0.75,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.885297775268555,
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"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
CsPuRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502580
|
[
"Ru",
"Cd",
"Nd"
] |
[
60,
60,
60,
60,
48,
48,
48,
48,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
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[
0.25,
0.25,
0.75
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[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 6.709015846252441,
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"c": 6.709015846252441,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
NdCdRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502593
|
[
"Ru",
"Pd",
"Ba"
] |
[
56,
56,
56,
56,
46,
46,
46,
46,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
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0.25
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[
0.25,
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0.25
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[
0.75,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.773808002471924,
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"c": 6.773808002471924,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
BaPdRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502610
|
[
"K",
"Ru",
"Gd"
] |
[
19,
19,
19,
19,
64,
64,
64,
64,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 6.956118106842041,
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"c": 6.956118106842041,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KGdRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502624
|
[
"Ru",
"Tl",
"Pb"
] |
[
81,
81,
81,
81,
44,
44,
44,
44,
44,
44,
44,
44,
82,
82,
82,
82
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.605284214019775,
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"c": 6.605284214019775,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TlRu2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502639
|
[
"Cr",
"Ru",
"Pa"
] |
[
91,
91,
91,
91,
24,
24,
24,
24,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
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[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 6.503191947937012,
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"c": 6.503191947937012,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PaCrRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502659
|
[
"Ga",
"Ru",
"Pb"
] |
[
31,
31,
31,
31,
44,
44,
44,
44,
44,
44,
44,
44,
82,
82,
82,
82
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
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0.25
],
[
0.75,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
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[
0.25,
0.25,
0.25
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[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.383518218994141,
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"c": 6.383518218994141,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
GaRu2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502675
|
[
"Mn",
"Mo",
"Ru"
] |
[
25,
25,
25,
25,
42,
42,
42,
42,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
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0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.122258186340332,
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"c": 6.122258186340332,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
MnMoRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502690
|
[
"Ru",
"Yb",
"Ir"
] |
[
70,
70,
70,
70,
77,
77,
77,
77,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
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],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 6.312541961669922,
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"c": 6.312541961669922,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
YbIrRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502705
|
[
"Ru",
"Te",
"Ta"
] |
[
73,
73,
73,
73,
52,
52,
52,
52,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
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[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.476089954376221,
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"c": 6.476089954376221,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
TaTeRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502720
|
[
"K",
"Ru",
"Tb"
] |
[
19,
19,
19,
19,
65,
65,
65,
65,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
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[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.932384014129639,
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"c": 6.932384014129639,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
KTbRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502739
|
[
"Ru",
"Pm",
"Th"
] |
[
61,
61,
61,
61,
90,
90,
90,
90,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 7.051126003265381,
"b": 7.051126003265381,
"c": 7.051126003265381,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
PmThRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502769
|
[
"Ru",
"Sb",
"Pb"
] |
[
51,
51,
51,
51,
44,
44,
44,
44,
44,
44,
44,
44,
82,
82,
82,
82
] | 16
| 3
|
[
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0.5,
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{
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| 225
|
SbRu2Pb
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502786
|
[
"Cr",
"Ru",
"W"
] |
[
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24,
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24,
44,
44,
44,
44,
44,
44,
44,
44,
74,
74,
74,
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|
[
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| 225
|
CrRu2W
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502802
|
[
"K",
"Ru",
"Pa"
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[
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91,
91,
91,
91,
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44,
44,
44,
44,
44,
44,
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|
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| 225
|
KPaRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502817
|
[
"Ga",
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[
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89,
31,
31,
31,
31,
44,
44,
44,
44,
44,
44,
44,
44
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|
[
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{
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| 225
|
AcGaRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502833
|
[
"Cr",
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[
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55,
24,
24,
24,
24,
44,
44,
44,
44,
44,
44,
44,
44
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|
[
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[
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{
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| 225
|
CsCrRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502845
|
[
"Y",
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"Bi"
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[
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83,
83,
83,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
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[
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] |
{
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| 225
|
YBiRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502878
|
[
"Ru",
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"Ir"
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[
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51,
77,
77,
77,
77,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
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[
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] |
{
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| 225
|
SbIrRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502910
|
[
"Ru",
"Pm",
"Er"
] |
[
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61,
61,
61,
68,
68,
68,
68,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
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|
[
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[
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] |
{
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| 225
|
PmErRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502934
|
[
"V",
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"Eu"
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[
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63,
23,
23,
23,
23,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
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|
[
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] |
{
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| 225
|
EuVRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502950
|
[
"Ru",
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] |
[
49,
49,
49,
49,
51,
51,
51,
51,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
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|
[
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[
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] |
{
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}
| 225
|
InSbRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502966
|
[
"Tc",
"Ru",
"La"
] |
[
57,
57,
57,
57,
43,
43,
43,
43,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
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[
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] |
{
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}
| 225
|
LaTcRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502979
|
[
"Mg",
"Ru",
"Re"
] |
[
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12,
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12,
75,
75,
75,
75,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
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[
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]
] |
{
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}
| 225
|
MgReRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_502991
|
[
"Ru",
"Tb",
"Tl"
] |
[
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65,
65,
65,
81,
81,
81,
81,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
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[
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[
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]
] |
{
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}
| 225
|
TbTlRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_503007
|
[
"Ru",
"Cs",
"Pm"
] |
[
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55,
55,
55,
61,
61,
61,
61,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
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[
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[
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[
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[
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]
] |
{
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}
| 225
|
CsPmRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_503019
|
[
"Ru",
"Sb",
"Hf"
] |
[
72,
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51,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] |
{
"a": 6.457828044891357,
"b": 6.457828044891357,
"c": 6.457828044891357,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
HfSbRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_503033
|
[
"Ru",
"In",
"U"
] |
[
92,
92,
92,
92,
49,
49,
49,
49,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 6.62937593460083,
"b": 6.62937593460083,
"c": 6.62937593460083,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
UInRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
tar:OQMD_503052
|
[
"Ru",
"Er",
"Bi"
] |
[
68,
68,
68,
68,
83,
83,
83,
83,
44,
44,
44,
44,
44,
44,
44,
44
] | 16
| 3
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] |
{
"a": 6.663365840911865,
"b": 6.663365840911865,
"c": 6.663365840911865,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 225
|
ErBiRu2
|
general_inorganic
| false
| null | null | null | null | null | null |
external_cif_tar
|
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