RbEr(PO3)4
Alexandria ALEXAlex-ID: agm022129682 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_11_spg15
Er(PO3)3 RbPO3
2024-11-08 04:37:46.698268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022129682).
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 agm022129682
data_agm022129682
_cell_length_a 7.57477
_cell_length_b 7.57477
_cell_length_c 10.56636
_cell_angle_alpha 78.72367
_cell_angle_beta 78.72367
_cell_angle_gamma 116.62341
_cell_volume 503.03473
_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
Rb1 Rb 0.80683 0.19317 0.25000 1.00000
Rb2 Rb 0.19317 0.80683 0.75000 1.00000
Er1 Er 0.12270 0.87730 0.25000 1.00000
Er2 Er 0.87730 0.12270 0.75000 1.00000
P1 P 0.24702 0.30215 0.95028 1.00000
P2 P 0.29134 0.61963 0.48545 1.00000
P3 P 0.70866 0.38037 0.51455 1.00000
P4 P 0.69785 0.75298 0.54972 1.00000
P5 P 0.75298 0.69785 0.04972 1.00000
P6 P 0.30215 0.24702 0.45028 1.00000
P7 P 0.38037 0.70866 0.01455 1.00000
P8 P 0.61963 0.29134 0.98545 1.00000
O1 O 0.73371 0.47812 0.04642 1.00000
O2 O 0.48055 0.09900 0.10707 1.00000
O3 O 0.26629 0.52188 0.95358 1.00000
O4 O 0.20516 0.69759 0.11762 1.00000
O5 O 0.83589 0.74448 0.16305 1.00000
O6 O 0.90100 0.51945 0.39293 1.00000
O7 O 0.51945 0.90100 0.89293 1.00000
O8 O 0.15019 0.13667 0.59292 1.00000
O9 O 0.09900 0.48055 0.60707 1.00000
O10 O 0.47812 0.73371 0.54642 1.00000
O11 O 0.25552 0.16411 0.33695 1.00000
O12 O 0.30241 0.79484 0.38238 1.00000
O13 O 0.84981 0.86333 0.40708 1.00000
O14 O 0.16411 0.25552 0.83695 1.00000
O15 O 0.69759 0.20516 0.61762 1.00000
O16 O 0.36103 0.48950 0.40515 1.00000
O17 O 0.13667 0.15019 0.09292 1.00000
O18 O 0.52188 0.26629 0.45358 1.00000
O19 O 0.51050 0.63897 0.09485 1.00000
O20 O 0.86333 0.84981 0.90708 1.00000
O21 O 0.74448 0.83589 0.66305 1.00000
O22 O 0.79484 0.30241 0.88238 1.00000
O23 O 0.63897 0.51050 0.59485 1.00000
O24 O 0.48950 0.36103 0.90515 1.00000
