Nd3CdCCl
Alexandria ALEXAlex-ID: agm005038947 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_375_spg11
Nd2CCl NdCd
2022-07-05 13:57:35.020931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005038947).
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 agm005038947
data_agm005038947
_cell_length_a 3.82708
_cell_length_b 9.22194
_cell_length_c 9.23158
_cell_angle_alpha 94.46250
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 324.82391
_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
Nd1 Nd 0.25000 0.65764 0.41267 1.00000
Nd2 Nd 0.75000 0.82285 0.11212 1.00000
Nd3 Nd 0.75000 0.44214 0.14501 1.00000
Nd4 Nd 0.75000 0.34236 0.58733 1.00000
Nd5 Nd 0.25000 0.55786 0.85499 1.00000
Nd6 Nd 0.25000 0.17715 0.88788 1.00000
Cd1 Cd 0.75000 0.82074 0.74746 1.00000
Cd2 Cd 0.25000 0.17926 0.25254 1.00000
C1 C 0.25000 0.64393 0.13933 1.00000
C2 C 0.75000 0.35607 0.86067 1.00000
Cl1 Cl 0.25000 0.11617 0.59000 1.00000
Cl2 Cl 0.75000 0.88383 0.41000 1.00000
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