Al6Cr8P
Alexandria ALEXAlex-ID: agm072233367 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Al3Cr4 Cr3P AlP
2024-10-05 04:22:18.709212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072233367).
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 agm072233367
data_agm072233367
_cell_length_a 5.97285
_cell_length_b 6.04123
_cell_length_c 6.45586
_cell_angle_alpha 71.48625
_cell_angle_beta 69.54445
_cell_angle_gamma 73.29653
_cell_volume 202.84214
_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
Al1 Al 0.83552 0.05611 0.38144 1.00000
Al2 Al 0.54358 0.89567 0.83232 1.00000
Al3 Al 0.37016 0.33222 0.56315 1.00000
Al4 Al 0.16448 0.94389 0.61856 1.00000
Al5 Al 0.45642 0.10433 0.16768 1.00000
Al6 Al 0.62984 0.66778 0.43685 1.00000
Cr1 Cr 0.74270 0.25703 0.73534 1.00000
Cr2 Cr 0.25730 0.74297 0.26466 1.00000
Cr3 Cr 0.11699 0.12331 0.96196 1.00000
Cr4 Cr 0.59780 0.47321 0.13000 1.00000
Cr5 Cr 0.91593 0.60545 0.67311 1.00000
Cr6 Cr 0.88301 0.87669 0.03804 1.00000
Cr7 Cr 0.40220 0.52679 0.87000 1.00000
Cr8 Cr 0.08407 0.39455 0.32689 1.00000
P1 P 0.00000 0.50000 0.00000 1.00000
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