Er(PO)2
Alexandria ALEXAlex-ID: agm005272285 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1078_spg141
Er2O3 ErPO4 P
2023-05-08 13:24:56.822187
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005272285).
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 agm005272285
data_agm005272285
_cell_length_a 9.90548
_cell_length_b 9.90548
_cell_length_c 9.90548
_cell_angle_alpha 116.29090
_cell_angle_beta 116.29090
_cell_angle_gamma 96.55415
_cell_volume 720.66565
_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 0.87500 0.62500 0.75000 1.00000
Er2 Er 0.87500 0.12500 0.25000 1.00000
Er3 Er 0.37500 0.12500 0.25000 1.00000
Er4 Er 0.87500 0.12500 0.75000 1.00000
P1 P 0.13145 0.24087 0.10941 1.00000
P2 P 0.13145 0.02204 0.89059 1.00000
P3 P 0.99087 0.38145 0.60941 1.00000
P4 P 0.61855 0.22796 0.60941 1.00000
P5 P 0.61855 0.00913 0.39059 1.00000
P6 P 0.77204 0.38145 0.39059 1.00000
P7 P 0.75913 0.86855 0.89059 1.00000
P8 P 0.97796 0.86855 0.10941 1.00000
O1 O 0.03226 0.22936 0.19710 1.00000
O2 O 0.03226 0.83517 0.80290 1.00000
O3 O 0.97936 0.28226 0.69710 1.00000
O4 O 0.71774 0.41483 0.69710 1.00000
O5 O 0.71774 0.02064 0.30290 1.00000
O6 O 0.58517 0.28226 0.30290 1.00000
O7 O 0.77064 0.96774 0.80290 1.00000
O8 O 0.16483 0.96774 0.19710 1.00000
Get direct link