La2Cd(CN3)2
Alexandria ALEXAlex-ID: agm004575352 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_28_spg2
CdN LaN2 La2(CN2)3 Cd
2022-06-23 09:57:55.949011
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004575352).
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 agm004575352
data_agm004575352
_cell_length_a 6.42293
_cell_length_b 5.65629
_cell_length_c 5.52819
_cell_angle_alpha 101.90971
_cell_angle_beta 76.41787
_cell_angle_gamma 68.88810
_cell_volume 172.48918
_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
La1 La 0.84541 0.37390 0.76733 1.00000
La2 La 0.15459 0.62610 0.23267 1.00000
Cd1 Cd 0.50000 0.00000 0.50000 1.00000
C1 C 0.24922 0.72917 0.72967 1.00000
C2 C 0.75078 0.27083 0.27033 1.00000
N1 N 0.42108 0.67356 0.83622 1.00000
N2 N 0.87542 0.42044 0.26188 1.00000
N3 N 0.19821 0.92442 0.61347 1.00000
N4 N 0.12458 0.57956 0.73812 1.00000
N5 N 0.80179 0.07558 0.38653 1.00000
N6 N 0.57892 0.32644 0.16378 1.00000
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