Cs2Nd10Co2Cl17
Alexandria ALEXAlex-ID: agm009109098 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C10D17_1_spg12
CsNd6CoCl10 Nd2Co2Cl Cs2Nd6CoCl12
2024-12-16 18:24:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009109098).
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 agm009109098
data_agm009109098
_cell_length_a 10.78921
_cell_length_b 10.78921
_cell_length_c 9.17156
_cell_angle_alpha 86.32102
_cell_angle_beta 93.67898
_cell_angle_gamma 71.91304
_cell_volume 1008.80006
_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
Cs1 Cs 0.30605 0.30605 0.50000 1.00000
Cs2 Cs 0.69395 0.69395 0.50000 1.00000
Nd1 Nd 0.30408 0.01229 0.92736 1.00000
Nd2 Nd 0.69592 0.98771 0.07264 1.00000
Nd3 Nd 0.01229 0.30408 0.07264 1.00000
Nd4 Nd 0.98771 0.69592 0.92736 1.00000
Nd5 Nd 0.33774 0.66226 0.07050 1.00000
Nd6 Nd 0.66226 0.33774 0.92950 1.00000
Nd7 Nd 0.06514 0.93486 0.19340 1.00000
Nd8 Nd 0.93486 0.06514 0.80660 1.00000
Nd9 Nd 0.21104 0.78896 0.67192 1.00000
Nd10 Nd 0.78896 0.21104 0.32808 1.00000
Co1 Co 0.14388 0.85612 0.93153 1.00000
Co2 Co 0.85612 0.14388 0.06847 1.00000
Cl1 Cl 0.37774 0.94726 0.64806 1.00000
Cl2 Cl 0.62226 0.05274 0.35194 1.00000
Cl3 Cl 0.94726 0.37774 0.35194 1.00000
Cl4 Cl 0.05274 0.62226 0.64806 1.00000
Cl5 Cl 0.48324 0.18594 0.91330 1.00000
Cl6 Cl 0.51676 0.81406 0.08670 1.00000
Cl7 Cl 0.18594 0.48324 0.08670 1.00000
Cl8 Cl 0.81406 0.51676 0.91330 1.00000
Cl9 Cl 0.42955 0.57045 0.79619 1.00000
Cl10 Cl 0.57045 0.42955 0.20381 1.00000
Cl11 Cl 0.76012 0.89382 0.79025 1.00000
Cl12 Cl 0.23988 0.10618 0.20975 1.00000
Cl13 Cl 0.89382 0.76012 0.20975 1.00000
Cl14 Cl 0.10618 0.23988 0.79025 1.00000
Cl15 Cl 0.71239 0.28761 0.63205 1.00000
Cl16 Cl 0.28761 0.71239 0.36795 1.00000
Cl17 Cl 0.00000 0.00000 0.50000 1.00000
