CaCd3(GeO3)4
Alexandria ALEXAlex-ID: agm044169701 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_384_spg5
CaCdGeO4 Cd2GeO4 Ca2Ge7O16
2024-12-03 13:58:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044169701).
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 agm044169701
data_agm044169701
_cell_length_a 7.14850
_cell_length_b 7.14850
_cell_length_c 5.49369
_cell_angle_alpha 81.14421
_cell_angle_beta 98.85579
_cell_angle_gamma 93.31214
_cell_volume 273.91294
_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 0.29439 0.29439 0.00000 1.00000
Cd1 Cd 0.90397 0.90397 0.00000 1.00000
Cd2 Cd 0.09780 0.09780 0.50000 1.00000
Cd3 Cd 0.71078 0.71078 0.50000 1.00000
Ge1 Ge 0.38272 0.79634 0.97431 1.00000
Ge2 Ge 0.79634 0.38272 0.02569 1.00000
Ge3 Ge 0.61729 0.20127 0.52919 1.00000
Ge4 Ge 0.20127 0.61729 0.47081 1.00000
O1 O 0.21854 0.97694 0.90587 1.00000
O2 O 0.97694 0.21854 0.09413 1.00000
O3 O 0.78886 0.02690 0.59875 1.00000
O4 O 0.02690 0.78886 0.40125 1.00000
O5 O 0.60734 0.85495 0.12041 1.00000
O6 O 0.85495 0.60734 0.87959 1.00000
O7 O 0.39479 0.13634 0.39117 1.00000
O8 O 0.13634 0.39479 0.60883 1.00000
O9 O 0.40078 0.69439 0.69287 1.00000
O10 O 0.69439 0.40078 0.30713 1.00000
O11 O 0.59697 0.29611 0.81461 1.00000
O12 O 0.29611 0.59697 0.18539 1.00000
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