Pm2CdO
Alexandria ALEXAlex-ID: agm005686262 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1368_spg62
Pm3CdO PmCd Pm2O3
2023-07-13 08:10:14.494393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686262).
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 agm005686262
data_agm005686262
_cell_length_a 5.07734
_cell_length_b 7.20249
_cell_length_c 10.55683
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 386.05770
_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
Pm1 Pm 0.75000 0.99863 0.60537 1.00000
Pm2 Pm 0.25000 0.50137 0.10537 1.00000
Pm3 Pm 0.25000 0.00137 0.39463 1.00000
Pm4 Pm 0.75000 0.49863 0.89463 1.00000
Pm5 Pm 0.75000 0.71039 0.28003 1.00000
Pm6 Pm 0.25000 0.78961 0.78003 1.00000
Pm7 Pm 0.25000 0.28961 0.71997 1.00000
Pm8 Pm 0.75000 0.21039 0.21997 1.00000
Cd1 Cd 0.75000 0.50835 0.58039 1.00000
Cd2 Cd 0.25000 0.99165 0.08039 1.00000
Cd3 Cd 0.25000 0.49165 0.41961 1.00000
Cd4 Cd 0.75000 0.00835 0.91961 1.00000
O1 O 0.75000 0.99505 0.38677 1.00000
O2 O 0.25000 0.50495 0.88677 1.00000
O3 O 0.25000 0.00495 0.61323 1.00000
O4 O 0.75000 0.49505 0.11323 1.00000
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