ErPa2Ge3
Alexandria ALEXAlex-ID: agm005755172 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
PaGe2 Pa5Ge4 ErGe
2023-08-18 07:46:23.623610
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755172).
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 agm005755172
data_agm005755172
_cell_length_a 5.84395
_cell_length_b 8.26446
_cell_length_c 12.37620
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99630
_cell_volume 597.73414
_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 0.24977 0.87608 0.08283 1.00000
Er2 Er 0.24977 0.37608 0.41717 1.00000
Er3 Er 0.75023 0.62392 0.58283 1.00000
Er4 Er 0.75023 0.12392 0.91717 1.00000
Pa1 Pa 0.25044 0.87485 0.75034 1.00000
Pa2 Pa 0.25044 0.37485 0.74966 1.00000
Pa3 Pa 0.24982 0.87232 0.41664 1.00000
Pa4 Pa 0.24982 0.37232 0.08336 1.00000
Pa5 Pa 0.75018 0.62768 0.91664 1.00000
Pa6 Pa 0.75018 0.12768 0.58336 1.00000
Pa7 Pa 0.74956 0.62515 0.25034 1.00000
Pa8 Pa 0.74956 0.12515 0.24966 1.00000
Ge1 Ge 0.25023 0.62819 0.58524 1.00000
Ge2 Ge 0.25023 0.12819 0.91476 1.00000
Ge3 Ge 0.25019 0.62298 0.91585 1.00000
Ge4 Ge 0.25019 0.12298 0.58415 1.00000
Ge5 Ge 0.24954 0.62377 0.24991 1.00000
Ge6 Ge 0.24954 0.12377 0.25009 1.00000
Ge7 Ge 0.75046 0.87623 0.74991 1.00000
Ge8 Ge 0.75046 0.37623 0.75009 1.00000
Ge9 Ge 0.74981 0.87702 0.41585 1.00000
Ge10 Ge 0.74981 0.37702 0.08415 1.00000
Ge11 Ge 0.74977 0.87181 0.08524 1.00000
Ge12 Ge 0.74977 0.37181 0.41476 1.00000
