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Ac8CdTe7

Alexandria ALEX

Alex-ID: agm044726005 · Space group: Fm-3m (#225)

Basic Information

Formula
Ac8CdTe7
Alex-ID
agm044726005
Elements
3
Sites
16
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
604.97
ų
Cell a
9.4940
Å
Cell b
9.4940
Å
Cell c
9.4915
Å
α angle
60.00
°
β angle
120.00
°
γ angle
119.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8CdTe7
Ac
8.00 · 50.0%
Cd
1.00 · 6.3%
Te
7.00 · 43.8%

Energy & Stability

Energy above hull
0.0108
eV/atom
Formation energy
-1.3297
eV/atom
Corrected total energy
-77.0581
eV
Raw total energy
-77.0581
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.4436
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C8_4_spg225

Decomposition

AcCd AcTe

Computed at

2025-02-01 22:17:33

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: agm044726005).

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 agm044726005
data_agm044726005
_cell_length_a     9.49403
_cell_length_b     9.49403
_cell_length_c     9.49151
_cell_angle_alpha  59.99717
_cell_angle_beta   120.00283
_cell_angle_gamma  119.99156
_cell_volume       604.96593
_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
  Ac1 Ac 0.24560 0.75440 0.24559 1.00000
  Ac2 Ac 0.24557 0.24560 0.24558 1.00000
  Ac3 Ac 0.24999 0.75001 0.75000 1.00000
  Ac4 Ac 0.75440 0.75443 0.24558 1.00000
  Ac5 Ac 0.24560 0.24557 0.75442 1.00000
  Ac6 Ac 0.75001 0.24999 0.25000 1.00000
  Ac7 Ac 0.75443 0.75440 0.75442 1.00000
  Ac8 Ac 0.75440 0.24560 0.75441 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.50000 0.50000 0.50000 1.00000
  Te2 Te 0.50000 0.00000 0.50000 1.00000
  Te3 Te 0.00000 0.50000 0.50000 1.00000
  Te4 Te 0.00000 0.00000 0.50000 1.00000
  Te5 Te 0.50000 0.00000 0.00000 1.00000
  Te6 Te 0.50000 0.50000 0.00000 1.00000
  Te7 Te 0.00000 0.50000 0.00000 1.00000
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