Ac2Be(OsN3)2
Alexandria ALEXAlex-ID: agm004573992 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
Ac3(OsN4)2 Be3N2 Os
2022-06-23 07:12:22.637087
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004573992).
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 agm004573992
data_agm004573992
_cell_length_a 5.89236
_cell_length_b 5.89236
_cell_length_c 6.41300
_cell_angle_alpha 62.65110
_cell_angle_beta 62.65110
_cell_angle_gamma 60.00000
_cell_volume 163.45998
_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 0.78493 0.78493 0.64520 1.00000
Ac2 Ac 0.21507 0.21507 0.35480 1.00000
Be1 Be 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.40693 0.40693 0.77920 1.00000
Os2 Os 0.59307 0.59307 0.22080 1.00000
N1 N 0.76755 0.76755 0.23013 1.00000
N2 N 0.23478 0.76755 0.23013 1.00000
N3 N 0.76755 0.23478 0.23013 1.00000
N4 N 0.23245 0.76522 0.76987 1.00000
N5 N 0.76522 0.23245 0.76987 1.00000
N6 N 0.23245 0.23245 0.76987 1.00000
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