Ac4BiP2N
Alexandria ALEXAlex-ID: agm044779404 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_896_spg11
Ac2BiN AcP
2024-10-24 16:16:27.610427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044779404).
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 agm044779404
data_agm044779404
_cell_length_a 7.93801
_cell_length_b 7.93801
_cell_length_c 15.33100
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 147.45502
_cell_volume 519.69110
_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
Ac1 Ac 0.24417 0.75583 0.12391 1.00000
Ac2 Ac 0.75583 0.24417 0.62391 1.00000
Ac3 Ac 0.75583 0.24417 0.87609 1.00000
Ac4 Ac 0.24417 0.75583 0.37609 1.00000
Ac5 Ac 0.50000 0.50000 0.50000 1.00000
Ac6 Ac 0.50000 0.50000 0.00000 1.00000
Ac7 Ac 0.07622 0.92378 0.75000 1.00000
Ac8 Ac 0.92378 0.07622 0.25000 1.00000
Bi1 Bi 0.39419 0.60581 0.75000 1.00000
Bi2 Bi 0.60581 0.39419 0.25000 1.00000
P1 P 0.13067 0.86933 0.55104 1.00000
P2 P 0.86933 0.13067 0.05104 1.00000
P3 P 0.86933 0.13067 0.44896 1.00000
P4 P 0.13067 0.86933 0.94896 1.00000
N1 N 0.66101 0.33899 0.75000 1.00000
N2 N 0.33899 0.66101 0.25000 1.00000
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