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Ag(BC10)2

Alexandria ALEX

Alex-ID: agm070938263 · Space group: Fmmm (#69)

Alexandria Database API

Basic Information

Formula
Ag(BC10)2
Alex-ID
agm070938263
Elements
3
Sites
23
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
151.12
ų
Cell a
6.7229
Å
Cell b
6.6260
Å
Cell c
5.2147
Å
α angle
67.99
°
β angle
66.03
°
γ angle
45.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag(BC10)2
Ag
1.00 · 4.3%
B
2.00 · 8.7%
C
20.00 · 87.0%

Energy & Stability

Energy above hull
0.4942
eV/atom
Formation energy
0.4831
eV/atom
Corrected total energy
-189.5731
eV
Raw total energy
-189.5731
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.0550
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C20_2_spg69

Decomposition

B4C Ag C

Computed at

2024-07-18 16:33:40.834739

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070938263).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX 
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm070938263
data_agm070938263
_cell_length_a     6.72292
_cell_length_b     6.62604
_cell_length_c     5.21474
_cell_angle_alpha  67.98875
_cell_angle_beta   66.02877
_cell_angle_gamma  45.98248
_cell_volume       151.12397
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  B1 B 0.21261 0.21261 0.78739 1.00000
  B2 B 0.78739 0.78739 0.21261 1.00000
  C1 C 0.97249 0.27596 0.35884 1.00000
  C2 C 0.02751 0.72404 0.64116 1.00000
  C3 C 0.39271 0.35884 0.27596 1.00000
  C4 C 0.60729 0.64116 0.72404 1.00000
  C5 C 0.35884 0.39271 0.97249 1.00000
  C6 C 0.64116 0.60729 0.02751 1.00000
  C7 C 0.27596 0.97249 0.39271 1.00000
  C8 C 0.72404 0.02751 0.60729 1.00000
  C9 C 0.51710 0.88270 0.11730 1.00000
  C10 C 0.48290 0.11730 0.88270 1.00000
  C11 C 0.11730 0.48290 0.51710 1.00000
  C12 C 0.88270 0.51710 0.48290 1.00000
  C13 C 0.49469 0.50531 0.71334 1.00000
  C14 C 0.50531 0.49469 0.28666 1.00000
  C15 C 0.28666 0.71334 0.50531 1.00000
  C16 C 0.71334 0.28666 0.49469 1.00000
  C17 C 0.40105 0.96004 0.59895 1.00000
  C18 C 0.59895 0.03996 0.40105 1.00000
  C19 C 0.03996 0.59895 0.96004 1.00000
  C20 C 0.96004 0.40105 0.03996 1.00000
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