Ca2NdHg2
Alexandria ALEXAlex-ID: agm003399996 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1006_spg164
Ca2NdHg3 Ca3Hg2 Nd
2022-02-09 20:46:52.390127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003399996).
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 agm003399996
data_agm003399996
_cell_length_a 5.27313
_cell_length_b 6.54232
_cell_length_c 9.15779
_cell_angle_alpha 89.96130
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 315.92938
_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 0.25000 0.84347 0.91590 1.00000
Ca2 Ca 0.75000 0.15653 0.08410 1.00000
Ca3 Ca 0.25000 0.15701 0.58298 1.00000
Ca4 Ca 0.75000 0.84299 0.41702 1.00000
Nd1 Nd 0.25000 0.50084 0.24982 1.00000
Nd2 Nd 0.75000 0.49916 0.75018 1.00000
Hg1 Hg 0.25000 0.66189 0.58335 1.00000
Hg2 Hg 0.75000 0.33811 0.41665 1.00000
Hg3 Hg 0.25000 0.33759 0.91699 1.00000
Hg4 Hg 0.75000 0.66241 0.08301 1.00000
Get direct link