Ca2Nb3Ge2
Alexandria ALEXAlex-ID: agm010074532 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_237_spg12
Nb2Ge Ca2Ge Nb
2024-06-24 11:41:45.826953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010074532).
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 agm010074532
data_agm010074532
_cell_length_a 6.19731
_cell_length_b 6.19731
_cell_length_c 8.08239
_cell_angle_alpha 62.68338
_cell_angle_beta 62.68338
_cell_angle_gamma 35.36599
_cell_volume 157.45368
_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 0.37894 0.37894 0.26938 1.00000
Ca2 Ca 0.62106 0.62106 0.73062 1.00000
Nb1 Nb 0.00000 0.00000 0.50000 1.00000
Nb2 Nb 0.84812 0.84812 0.92868 1.00000
Nb3 Nb 0.15188 0.15188 0.07132 1.00000
Ge1 Ge 0.66872 0.66872 0.29938 1.00000
Ge2 Ge 0.33128 0.33128 0.70062 1.00000
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