CaNd2(SnHg)2
Alexandria ALEXAlex-ID: agm004550136 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Ca3Hg4 CaHg3 NdSn
2022-06-22 00:28:43.026601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004550136).
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 agm004550136
data_agm004550136
_cell_length_a 5.08075
_cell_length_b 5.08075
_cell_length_c 9.74045
_cell_angle_alpha 74.88206
_cell_angle_beta 74.88206
_cell_angle_gamma 60.00000
_cell_volume 207.64433
_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 0.00000 0.00000 1.00000
Nd1 Nd 0.13077 0.13077 0.60770 1.00000
Nd2 Nd 0.86923 0.86923 0.39230 1.00000
Sn1 Sn 0.73484 0.73484 0.79547 1.00000
Sn2 Sn 0.26516 0.26516 0.20453 1.00000
Hg1 Hg 0.57494 0.57494 0.27518 1.00000
Hg2 Hg 0.42506 0.42506 0.72482 1.00000
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