K5CrO4
Alexandria ALEXAlex-ID: agm006109657 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_456_spg59
K4CrO4 K
2023-10-17 18:48:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006109657).
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 agm006109657
data_agm006109657
_cell_length_a 6.16226
_cell_length_b 8.44627
_cell_length_c 7.99484
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 416.11650
_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 0.73992 0.19108 0.23577 1.00000
K2 K 0.73992 0.19108 0.76423 1.00000
K3 K 0.15600 0.00000 0.50000 1.00000
K4 K 0.73992 0.80892 0.23577 1.00000
K5 K 0.73992 0.80892 0.76423 1.00000
K6 K 0.26008 0.69108 0.26423 1.00000
K7 K 0.26008 0.69108 0.73577 1.00000
K8 K 0.84400 0.50000 0.00000 1.00000
K9 K 0.26008 0.30892 0.73577 1.00000
K10 K 0.26008 0.30892 0.26423 1.00000
Cr1 Cr 0.21192 0.00000 0.00000 1.00000
Cr2 Cr 0.78808 0.50000 0.50000 1.00000
O1 O 0.05491 0.20904 0.00000 1.00000
O2 O 0.36809 0.00000 0.20785 1.00000
O3 O 0.36809 0.00000 0.79215 1.00000
O4 O 0.05491 0.79096 0.00000 1.00000
O5 O 0.94509 0.70904 0.50000 1.00000
O6 O 0.63191 0.50000 0.29215 1.00000
O7 O 0.63191 0.50000 0.70785 1.00000
O8 O 0.94509 0.29096 0.50000 1.00000
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