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La7ZnCo2

Alexandria ALEX

Alex-ID: agm034262368 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
La7ZnCo2
Alex-ID
agm034262368
Elements
3
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
576.09
ų
Cell a
12.2769
Å
Cell b
12.2769
Å
Cell c
3.8222
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La7ZnCo2
La
14.00 · 70.0%
Zn
2.00 · 10.0%
Co
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0160
eV/atom
Formation energy
-0.1357
eV/atom
Corrected total energy
-102.7501
eV
Raw total energy
-102.7501
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.6201
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_15_spg127

Decomposition

LaZn La15Zn2Co5 La4Co

Computed at

2025-01-22 10:20:59

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: agm034262368).

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 agm034262368
data_agm034262368
_cell_length_a     12.27694
_cell_length_b     12.27694
_cell_length_c     3.82220
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       576.09476
_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
  La1 La 0.67888 0.17888 0.00000 1.00000
  La2 La 0.32112 0.82112 0.00000 1.00000
  La3 La 0.82112 0.67888 0.00000 1.00000
  La4 La 0.17888 0.32112 0.00000 1.00000
  La5 La 0.56440 0.71168 0.50000 1.00000
  La6 La 0.43560 0.28832 0.50000 1.00000
  La7 La 0.28832 0.56440 0.50000 1.00000
  La8 La 0.93560 0.21168 0.50000 1.00000
  La9 La 0.71168 0.43560 0.50000 1.00000
  La10 La 0.06440 0.78832 0.50000 1.00000
  La11 La 0.21168 0.06440 0.50000 1.00000
  La12 La 0.78832 0.93560 0.50000 1.00000
  La13 La 0.50000 0.00000 0.50000 1.00000
  La14 La 0.00000 0.50000 0.50000 1.00000
  Zn1 Zn 0.50000 0.50000 0.00000 1.00000
  Zn2 Zn 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.13298 0.63298 0.00000 1.00000
  Co2 Co 0.86702 0.36702 0.00000 1.00000
  Co3 Co 0.36702 0.13298 0.00000 1.00000
  Co4 Co 0.63298 0.86702 0.00000 1.00000
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