Ca2Nd2Ge3
Alexandria ALEXAlex-ID: agm003312554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Ca(NdGe)2 Ca3(NdGe2)2
2022-01-23 05:16:29.724787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003312554).
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 agm003312554
data_agm003312554
_cell_length_a 4.30226
_cell_length_b 7.11881
_cell_length_c 7.56975
_cell_angle_alpha 115.64531
_cell_angle_beta 90.00000
_cell_angle_gamma 107.58831
_cell_volume 196.90926
_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 0.89164 0.78328 0.23816 1.00000
Ca2 Ca 0.10836 0.21672 0.76184 1.00000
Nd1 Nd 0.84086 0.68172 0.72993 1.00000
Nd2 Nd 0.15914 0.31828 0.27007 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
Ge2 Ge 0.58396 0.16792 0.45499 1.00000
Ge3 Ge 0.41604 0.83208 0.54501 1.00000
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