Y2BeGeC
Alexandria ALEXAlex-ID: agm005000550 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1570_spg11
Y2BeGeC
2022-07-03 22:34:03.208499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000550).
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 agm005000550
data_agm005000550
_cell_length_a 3.74959
_cell_length_b 6.36487
_cell_length_c 7.98379
_cell_angle_alpha 107.96832
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 181.24490
_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
Y1 Y 0.75000 0.79931 0.61308 1.00000
Y2 Y 0.75000 0.78481 0.03432 1.00000
Y3 Y 0.25000 0.20069 0.38692 1.00000
Y4 Y 0.25000 0.21519 0.96568 1.00000
Be1 Be 0.25000 0.54635 0.75411 1.00000
Be2 Be 0.75000 0.45365 0.24589 1.00000
Ge1 Ge 0.25000 0.67445 0.29900 1.00000
Ge2 Ge 0.75000 0.32555 0.70100 1.00000
C1 C 0.25000 0.82457 0.82582 1.00000
C2 C 0.75000 0.17543 0.17418 1.00000
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