KPmAsO4
Alexandria ALEXAlex-ID: agm005059635 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_583_spg74
K3Pm(AsO4)2 K3Pm(AsO3)2 PmAsO4 Pm2O3
2022-07-16 02:01:12.846445
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005059635).
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 agm005059635
data_agm005059635
_cell_length_a 6.49067
_cell_length_b 6.78552
_cell_length_c 6.78552
_cell_angle_alpha 63.19110
_cell_angle_beta 61.42726
_cell_angle_gamma 61.42726
_cell_volume 220.71116
_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
K1 K 0.50000 0.00000 0.50000 1.00000
K2 K 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.00000 0.50000 0.50000 1.00000
As1 As 0.63766 0.61234 0.11234 1.00000
As2 As 0.36234 0.38766 0.88766 1.00000
O1 O 0.74779 0.70468 0.79975 1.00000
O2 O 0.25221 0.70025 0.79532 1.00000
O3 O 0.74779 0.29975 0.20468 1.00000
O4 O 0.25221 0.29532 0.20025 1.00000
O5 O 0.26977 0.72851 0.22851 1.00000
O6 O 0.77321 0.72851 0.22851 1.00000
O7 O 0.22679 0.27149 0.77149 1.00000
O8 O 0.73023 0.27149 0.77149 1.00000
Get direct link