Pr6Mg2Hg
Alexandria ALEXAlex-ID: agm005646435 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1602_spg12
PrMgHg PrMg Pr
2023-07-08 15:22:21.716523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646435).
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 agm005646435
data_agm005646435
_cell_length_a 3.71536
_cell_length_b 8.73955
_cell_length_c 9.38188
_cell_angle_alpha 80.58988
_cell_angle_beta 78.57956
_cell_angle_gamma 77.72758
_cell_volume 289.42585
_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
Pr1 Pr 0.04451 0.09804 0.81293 1.00000
Pr2 Pr 0.30506 0.28903 0.10086 1.00000
Pr3 Pr 0.69494 0.71097 0.89914 1.00000
Pr4 Pr 0.32187 0.81636 0.53990 1.00000
Pr5 Pr 0.67813 0.18364 0.46010 1.00000
Pr6 Pr 0.95549 0.90196 0.18707 1.00000
Mg1 Mg 0.41046 0.43786 0.74122 1.00000
Mg2 Mg 0.58954 0.56214 0.25878 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
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