Er2P2H5
Alexandria ALEXAlex-ID: agm007138959 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1554_spg9
PH4 ErH3 ErP
2024-01-27 21:46:19.900335
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007138959).
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 agm007138959
data_agm007138959
_cell_length_a 9.62722
_cell_length_b 9.62722
_cell_length_c 6.51760
_cell_angle_alpha 71.48524
_cell_angle_beta 71.48524
_cell_angle_gamma 21.91030
_cell_volume 213.29641
_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 0.84843 0.37141 0.34997 1.00000
Er2 Er 0.14107 0.63226 0.71819 1.00000
Er3 Er 0.37141 0.84843 0.84997 1.00000
Er4 Er 0.63226 0.14107 0.21819 1.00000
P1 P 0.91054 0.54678 0.89239 1.00000
P2 P 0.54678 0.91054 0.39239 1.00000
P3 P 0.72042 0.28807 0.76749 1.00000
P4 P 0.28807 0.72042 0.26749 1.00000
H1 H 0.08466 0.60168 0.42581 1.00000
H2 H 0.07716 0.37629 0.09790 1.00000
H3 H 0.60168 0.08466 0.92581 1.00000
H4 H 0.37629 0.07716 0.59790 1.00000
H5 H 0.84824 0.33102 0.03640 1.00000
H6 H 0.12422 0.62743 0.05860 1.00000
H7 H 0.33102 0.84824 0.53640 1.00000
H8 H 0.62743 0.12422 0.55860 1.00000
H9 H 0.94034 0.02998 0.40325 1.00000
H10 H 0.02998 0.94034 0.90325 1.00000
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