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EuCoP

Alexandria ALEX

Alex-ID: agm002305366 · Space group: P2_13 (#198)

Basic Information

Formula
EuCoP
Alex-ID
agm002305366
Elements
3
Sites
12
Space group
P2_13 (#198)
Crystal system
cubic
Volume
219.58
ų
Cell a
6.0330
Å
Cell b
6.0330
Å
Cell c
6.0330
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuCoP
Eu
4.00 · 33.3%
P
4.00 · 33.3%
Co
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0083
eV/atom
Formation energy
-0.8598
eV/atom
Corrected total energy
-101.5500
eV
Raw total energy
-101.5500
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0247
eV
DOS at Fermi level
28.4727
Total magnetisation
27.2638
μB

Additional Information

Prototype ID

ABC_72_spg198

Decomposition

EuCo5P3 Eu4P3 Co

Computed at

2019-01-12 22:00:57

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: agm002305366).

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 agm002305366
data_agm002305366
_cell_length_a     6.03299
_cell_length_b     6.03299
_cell_length_c     6.03299
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       219.58233
_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
  Eu1 Eu 0.62357 0.37643 0.87643 1.00000
  Eu2 Eu 0.37643 0.87643 0.62357 1.00000
  Eu3 Eu 0.12357 0.12357 0.12357 1.00000
  Eu4 Eu 0.87643 0.62357 0.37643 1.00000
  P1 P 0.16140 0.33860 0.66140 1.00000
  P2 P 0.66140 0.16140 0.33860 1.00000
  P3 P 0.33860 0.66140 0.16140 1.00000
  P4 P 0.83860 0.83860 0.83860 1.00000
  Co1 Co 0.59236 0.90764 0.09236 1.00000
  Co2 Co 0.09236 0.59236 0.90764 1.00000
  Co3 Co 0.40764 0.40764 0.40764 1.00000
  Co4 Co 0.90764 0.09236 0.59236 1.00000
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