RbNa2HfBr8
Alexandria ALEXAlex-ID: agm004907959 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_380_spg10
Na2HfBr6 Rb2HfBr6 NaBr Br
2023-01-01 22:23:15.522212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004907959).
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 agm004907959
data_agm004907959
_cell_length_a 7.06450
_cell_length_b 6.16384
_cell_length_c 9.72728
_cell_angle_alpha 89.83612
_cell_angle_beta 89.97625
_cell_angle_gamma 91.55616
_cell_volume 423.41165
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Na1 Na 0.50007 0.49944 0.77575 1.00000
Na2 Na 0.49993 0.50056 0.22425 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.14292 0.75931 0.19426 1.00000
Br2 Br 0.68481 0.76152 0.99942 1.00000
Br3 Br 0.85544 0.23895 0.19359 1.00000
Br4 Br 0.85708 0.24069 0.80574 1.00000
Br5 Br 0.31519 0.23848 0.00058 1.00000
Br6 Br 0.14456 0.76105 0.80641 1.00000
Br7 Br 0.51339 0.75028 0.49995 1.00000
Br8 Br 0.48661 0.24972 0.50005 1.00000
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