CaNdSm6
Alexandria ALEXAlex-ID: agm005777835 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_274_spg12
NdSm5 Ca Sm
2023-07-24 16:52:05.431570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777835).
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 agm005777835
data_agm005777835
_cell_length_a 5.17700
_cell_length_b 6.33678
_cell_length_c 9.68265
_cell_angle_alpha 77.53256
_cell_angle_beta 74.49403
_cell_angle_gamma 65.89040
_cell_volume 277.31941
_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 0.00000 0.50000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.24657 0.87804 0.62885 1.00000
Sm2 Sm 0.50164 0.24034 0.75639 1.00000
Sm3 Sm 0.25192 0.37446 0.12170 1.00000
Sm4 Sm 0.49836 0.75966 0.24361 1.00000
Sm5 Sm 0.75343 0.12196 0.37115 1.00000
Sm6 Sm 0.74808 0.62554 0.87830 1.00000
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