Y10Co28P19
Alexandria ALEXAlex-ID: agm007837725 · Space group: P-6 (#174)
Basic Information
Formula
Y10Co28P19
Alex-ID
agm007837725
Elements
3
Sites
57
Space group
P-6 (#174)
Crystal system
hexagonal
Volume
761.24
ų
Cell a
15.4160
Å
Cell b
15.4160
Å
Cell c
3.6987
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Y10Co28P19
Y
10.00 · 17.5%
Co
28.00 · 49.1%
P
19.00 · 33.3%
Energy & Stability
Energy above hull
0.0015
eV/atom
Formation energy
-0.9317
eV/atom
Corrected total energy
-419.9919
eV
Raw total energy
-419.9919
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
32.9707
Total magnetisation
6.5896
μB
Additional Information
Prototype ID
A10B19C28_0_spg174
Decomposition
Y7Co17P12 YCo3P2
Computed at
2024-09-25 02:37:29.423893
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: agm007837725).
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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007837725
data_agm007837725
_cell_length_a 15.41595
_cell_length_b 15.41595
_cell_length_c 3.69869
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 761.23551
_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
Y1 Y 0.06392 0.69975 0.00000 1.00000
Y2 Y 0.30025 0.36417 0.00000 1.00000
Y3 Y 0.63583 0.93608 0.00000 1.00000
Y4 Y 0.51878 0.19685 0.50000 1.00000
Y5 Y 0.80315 0.32193 0.50000 1.00000
Y6 Y 0.67807 0.48122 0.50000 1.00000
Y7 Y 0.00000 0.00000 0.50000 1.00000
Y8 Y 0.35075 0.81623 0.00000 1.00000
Y9 Y 0.18377 0.53453 0.00000 1.00000
Y10 Y 0.46547 0.64925 0.00000 1.00000
Co1 Co 0.65228 0.09735 0.50000 1.00000
Co2 Co 0.90265 0.55493 0.50000 1.00000
Co3 Co 0.44507 0.34772 0.50000 1.00000
Co4 Co 0.95855 0.83075 0.00000 1.00000
Co5 Co 0.16925 0.12780 0.00000 1.00000
Co6 Co 0.87220 0.04145 0.00000 1.00000
Co7 Co 0.36735 0.98124 0.50000 1.00000
Co8 Co 0.01876 0.38611 0.50000 1.00000
Co9 Co 0.61389 0.63265 0.50000 1.00000
Co10 Co 0.50709 0.03866 0.00000 1.00000
Co11 Co 0.96134 0.46842 0.00000 1.00000
Co12 Co 0.53158 0.49291 0.00000 1.00000
Co13 Co 0.19573 0.68275 0.50000 1.00000
Co14 Co 0.31725 0.51298 0.50000 1.00000
Co15 Co 0.48702 0.80427 0.50000 1.00000
Co16 Co 0.09444 0.87035 0.50000 1.00000
Co17 Co 0.12965 0.22408 0.50000 1.00000
Co18 Co 0.77592 0.90556 0.50000 1.00000
Co19 Co 0.79405 0.15684 0.00000 1.00000
Co20 Co 0.84316 0.63721 0.00000 1.00000
Co21 Co 0.36279 0.20595 0.00000 1.00000
Co22 Co 0.23134 0.92129 0.00000 1.00000
Co23 Co 0.07871 0.31005 0.00000 1.00000
Co24 Co 0.68995 0.76866 0.00000 1.00000
Co25 Co 0.66667 0.33333 0.00000 1.00000
Co26 Co 0.24834 0.05689 0.50000 1.00000
Co27 Co 0.94311 0.19146 0.50000 1.00000
Co28 Co 0.80854 0.75166 0.50000 1.00000
P1 P 0.33333 0.66667 0.50000 1.00000
P2 P 0.37084 0.06651 0.00000 1.00000
P3 P 0.93349 0.30434 0.00000 1.00000
P4 P 0.69566 0.62916 0.00000 1.00000
P5 P 0.65881 0.18214 0.00000 1.00000
P6 P 0.81786 0.47667 0.00000 1.00000
P7 P 0.52333 0.34119 0.00000 1.00000
P8 P 0.11706 0.96456 0.00000 1.00000
P9 P 0.03544 0.15250 0.00000 1.00000
P10 P 0.84750 0.88294 0.00000 1.00000
P11 P 0.93731 0.72629 0.50000 1.00000
P12 P 0.27371 0.21102 0.50000 1.00000
P13 P 0.78898 0.06269 0.50000 1.00000
P14 P 0.21785 0.83373 0.50000 1.00000
P15 P 0.16627 0.38412 0.50000 1.00000
P16 P 0.61588 0.78215 0.50000 1.00000
P17 P 0.50051 0.95405 0.50000 1.00000
P18 P 0.04595 0.54646 0.50000 1.00000
P19 P 0.45354 0.49949 0.50000 1.00000
