YbBeNF6
Alexandria ALEXAlex-ID: agm003221982 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_102_spg11
YbF3 BeF2 N2 NF3
2021-12-30 05:03:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003221982).
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 agm003221982
data_agm003221982
_cell_length_a 6.95630
_cell_length_b 7.00033
_cell_length_c 5.72971
_cell_angle_alpha 85.67764
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 278.22250
_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
Be1 Be 0.25000 0.75044 0.44488 1.00000
Be2 Be 0.75000 0.24956 0.55512 1.00000
N1 N 0.25000 0.20213 0.76976 1.00000
N2 N 0.75000 0.79787 0.23024 1.00000
Yb1 Yb 0.25000 0.25828 0.33157 1.00000
Yb2 Yb 0.75000 0.74172 0.66843 1.00000
F1 F 0.43667 0.73976 0.59927 1.00000
F2 F 0.56333 0.26024 0.40073 1.00000
F3 F 0.93667 0.26024 0.40073 1.00000
F4 F 0.06333 0.73976 0.59927 1.00000
F5 F 0.25000 0.57419 0.29197 1.00000
F6 F 0.75000 0.42581 0.70803 1.00000
F7 F 0.59309 0.74854 0.08969 1.00000
F8 F 0.40691 0.25146 0.91031 1.00000
F9 F 0.09309 0.25146 0.91031 1.00000
F10 F 0.90691 0.74854 0.08969 1.00000
F11 F 0.25000 0.94578 0.29389 1.00000
F12 F 0.75000 0.05422 0.70611 1.00000
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