BaCa3(InGe2)2
Alexandria ALEXAlex-ID: agm011566482 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_25_spg38
BaIn4 BaGe2 CaGe
2024-04-21 10:02:36.446428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011566482).
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
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# CIF generated by HEAS from Alexandria entry agm011566482
data_agm011566482
_cell_length_a 7.54383
_cell_length_b 7.54383
_cell_length_c 4.67672
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 91.88086
_cell_volume 266.00587
_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
Ba1 Ba 0.82500 0.17500 0.00000 1.00000
Ca1 Ca 0.17682 0.82318 0.00000 1.00000
Ca2 Ca 0.32305 0.32848 0.00000 1.00000
Ca3 Ca 0.67152 0.67695 0.00000 1.00000
In1 In 0.00469 0.50491 0.50000 1.00000
In2 In 0.49509 0.99531 0.50000 1.00000
Ge1 Ge 0.37168 0.62832 0.50000 1.00000
Ge2 Ge 0.60749 0.39251 0.50000 1.00000
Ge3 Ge 0.88777 0.86312 0.50000 1.00000
Ge4 Ge 0.13688 0.11223 0.50000 1.00000
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