Ca2GeTe4Pb
Alexandria ALEXAlex-ID: agm050764671 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
GeTe CaTe TePb
2024-10-28 12:13:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050764671).
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 agm050764671
data_agm050764671
_cell_length_a 7.82329
_cell_length_b 7.79890
_cell_length_c 6.42442
_cell_angle_alpha 65.91585
_cell_angle_beta 65.51936
_cell_angle_gamma 48.56478
_cell_volume 262.24991
_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
Ca1 Ca 0.19382 0.30618 0.19382 1.00000
Ca2 Ca 0.69382 0.80618 0.69382 1.00000
Ge1 Ge 0.90124 0.09876 0.90124 1.00000
Te1 Te 0.93491 0.06509 0.46195 1.00000
Te2 Te 0.46195 0.53805 0.93491 1.00000
Te3 Te 0.18272 0.29706 0.70294 1.00000
Te4 Te 0.70294 0.81728 0.18272 1.00000
Pb1 Pb 0.42922 0.57078 0.42922 1.00000
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