NdBeC
Alexandria ALEXAlex-ID: agm005686384 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_55_spg62
Nd4C5 Be2C Nd
2023-06-16 21:59:33.399831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686384).
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 agm005686384
data_agm005686384
_cell_length_a 5.22477
_cell_length_b 5.52679
_cell_length_c 6.30589
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 182.09011
_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 0.75000 0.63664 0.32245 1.00000
Nd2 Nd 0.25000 0.13664 0.17755 1.00000
Nd3 Nd 0.75000 0.86336 0.82245 1.00000
Nd4 Nd 0.25000 0.36336 0.67755 1.00000
Be1 Be 0.25000 0.83513 0.55627 1.00000
Be2 Be 0.25000 0.66487 0.05627 1.00000
Be3 Be 0.75000 0.16487 0.44373 1.00000
Be4 Be 0.75000 0.33513 0.94373 1.00000
C1 C 0.25000 0.84087 0.82861 1.00000
C2 C 0.75000 0.34087 0.67139 1.00000
C3 C 0.75000 0.15913 0.17139 1.00000
C4 C 0.25000 0.65913 0.32861 1.00000
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