Pm2CrO8
Alexandria ALEXAlex-ID: agm005962897 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1978_spg2
PmCrO4 PmO8 PmO2
2023-09-28 05:31:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962897).
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
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# CIF generated by HEAS from Alexandria entry agm005962897
data_agm005962897
_cell_length_a 5.12507
_cell_length_b 6.42012
_cell_length_c 6.11470
_cell_angle_alpha 104.65929
_cell_angle_beta 119.05810
_cell_angle_gamma 106.24887
_cell_volume 149.61360
_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 0.53048 0.31368 0.67739 1.00000
Pm2 Pm 0.46952 0.68632 0.32261 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
O1 O 0.61066 0.98202 0.74977 1.00000
O2 O 0.81053 0.83128 0.16709 1.00000
O3 O 0.84868 0.68514 0.72800 1.00000
O4 O 0.87616 0.63481 0.19052 1.00000
O5 O 0.12384 0.36519 0.80948 1.00000
O6 O 0.15132 0.31486 0.27200 1.00000
O7 O 0.18947 0.16872 0.83291 1.00000
O8 O 0.38934 0.01798 0.25023 1.00000
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