Er3Pa2Co3
Alexandria ALEXAlex-ID: agm005576532 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_212_spg62
Er2PaCo2 Pa
2023-06-05 21:40:18.695153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005576532).
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 agm005576532
data_agm005576532
_cell_length_a 7.53470
_cell_length_b 6.40684
_cell_length_c 13.95889
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 673.84580
_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
Er1 Er 0.23435 0.49955 0.41780 1.00000
Er2 Er 0.73435 0.00045 0.58220 1.00000
Er3 Er 0.76565 0.50045 0.91780 1.00000
Er4 Er 0.26565 0.99955 0.08220 1.00000
Er5 Er 0.76565 0.50045 0.58220 1.00000
Er6 Er 0.26565 0.99955 0.41780 1.00000
Er7 Er 0.23435 0.49955 0.08220 1.00000
Er8 Er 0.73435 0.00045 0.91780 1.00000
Er9 Er 0.48937 0.26614 0.25000 1.00000
Er10 Er 0.98937 0.23386 0.75000 1.00000
Er11 Er 0.51063 0.73386 0.75000 1.00000
Er12 Er 0.01063 0.76614 0.25000 1.00000
Pa1 Pa 0.86447 0.24670 0.37235 1.00000
Pa2 Pa 0.36447 0.25330 0.62765 1.00000
Pa3 Pa 0.13553 0.75330 0.87235 1.00000
Pa4 Pa 0.63553 0.74670 0.12765 1.00000
Pa5 Pa 0.13553 0.75330 0.62765 1.00000
Pa6 Pa 0.63553 0.74670 0.37235 1.00000
Pa7 Pa 0.86447 0.24670 0.12765 1.00000
Pa8 Pa 0.36447 0.25330 0.87235 1.00000
Co1 Co 0.09845 0.24566 0.25000 1.00000
Co2 Co 0.59845 0.25434 0.75000 1.00000
Co3 Co 0.90155 0.75434 0.75000 1.00000
Co4 Co 0.40155 0.74566 0.25000 1.00000
Co5 Co 0.58422 0.28442 0.44303 1.00000
Co6 Co 0.08422 0.21558 0.55697 1.00000
Co7 Co 0.41578 0.71558 0.94303 1.00000
Co8 Co 0.91578 0.78442 0.05697 1.00000
Co9 Co 0.41578 0.71558 0.55697 1.00000
Co10 Co 0.91578 0.78442 0.44303 1.00000
Co11 Co 0.58422 0.28442 0.05697 1.00000
Co12 Co 0.08422 0.21558 0.94303 1.00000
