Nd2ReOs3
Alexandria ALEXAlex-ID: agm005686900 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_9_spg194
Nd5Os2 ReOs NdOs2
2023-08-23 01:03:15.795357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686900).
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 agm005686900
data_agm005686900
_cell_length_a 5.57590
_cell_length_b 5.57590
_cell_length_c 8.50216
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99999
_cell_volume 228.92322
_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
Nd1 Nd 0.66667 0.33333 0.43380 1.00000
Nd2 Nd 0.33333 0.66667 0.56620 1.00000
Nd3 Nd 0.33333 0.66667 0.93380 1.00000
Nd4 Nd 0.66667 0.33333 0.06620 1.00000
Re1 Re 0.00000 0.00000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.17058 0.34117 0.25000 1.00000
Os2 Os 0.34117 0.17058 0.75000 1.00000
Os3 Os 0.82942 0.65883 0.75000 1.00000
Os4 Os 0.17058 0.82942 0.25000 1.00000
Os5 Os 0.82942 0.17058 0.75000 1.00000
Os6 Os 0.65883 0.82942 0.25000 1.00000
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