Ta3CoP2
Alexandria ALEXAlex-ID: agm005751176 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2603_spg62
TaCoP Ta2P
2023-08-24 06:58:51.160691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751176).
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
@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…
# CIF generated by HEAS from Alexandria entry agm005751176
data_agm005751176
_cell_length_a 3.55943
_cell_length_b 9.84551
_cell_length_c 10.05956
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 352.53127
_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
Ta1 Ta 0.25000 0.38522 0.05155 1.00000
Ta2 Ta 0.75000 0.61478 0.94845 1.00000
Ta3 Ta 0.75000 0.88522 0.44845 1.00000
Ta4 Ta 0.25000 0.11478 0.55155 1.00000
Ta5 Ta 0.25000 0.71332 0.20576 1.00000
Ta6 Ta 0.75000 0.28668 0.79424 1.00000
Ta7 Ta 0.75000 0.21332 0.29424 1.00000
Ta8 Ta 0.25000 0.78668 0.70576 1.00000
Ta9 Ta 0.25000 0.42833 0.37782 1.00000
Ta10 Ta 0.75000 0.57167 0.62218 1.00000
Ta11 Ta 0.75000 0.92833 0.12218 1.00000
Ta12 Ta 0.25000 0.07167 0.87782 1.00000
Co1 Co 0.25000 0.12090 0.12836 1.00000
Co2 Co 0.75000 0.87910 0.87164 1.00000
Co3 Co 0.75000 0.62090 0.37164 1.00000
Co4 Co 0.25000 0.37910 0.62836 1.00000
P1 P 0.25000 0.69253 0.47067 1.00000
P2 P 0.75000 0.30747 0.52933 1.00000
P3 P 0.75000 0.19253 0.02933 1.00000
P4 P 0.25000 0.80747 0.97067 1.00000
P5 P 0.25000 0.99836 0.30701 1.00000
P6 P 0.75000 0.00164 0.69299 1.00000
P7 P 0.75000 0.49836 0.19299 1.00000
P8 P 0.25000 0.50164 0.80701 1.00000
