CaPm2GeIr2
Alexandria ALEXAlex-ID: agm004757366 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_192_spg139
Pm3(GeIr)2 Ca2Ge Pm5Ir3 PmIr2
2022-07-11 19:08:17.236525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004757366).
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 agm004757366
data_agm004757366
_cell_length_a 5.67363
_cell_length_b 5.67363
_cell_length_c 6.69049
_cell_angle_alpha 115.08781
_cell_angle_beta 115.08781
_cell_angle_gamma 90.00000
_cell_volume 172.35238
_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
Ca1 Ca 0.50000 0.50000 0.00000 1.00000
Pm1 Pm 0.25000 0.75000 0.50000 1.00000
Pm2 Pm 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.77880 0.77880 0.55761 1.00000
Ir2 Ir 0.22120 0.22120 0.44239 1.00000
Get direct link