NdMgGa2
Alexandria ALEXAlex-ID: agm005695522 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9189_spg62
Nd(MgGa)2 NdGa2
2023-07-12 07:29:47.699736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695522).
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 agm005695522
data_agm005695522
_cell_length_a 4.37005
_cell_length_b 11.59895
_cell_length_c 14.30602
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 725.14398
_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 0.75000 0.45692 0.69859 1.00000
Nd2 Nd 0.25000 0.95692 0.80141 1.00000
Nd3 Nd 0.25000 0.54308 0.30141 1.00000
Nd4 Nd 0.75000 0.04308 0.19859 1.00000
Nd5 Nd 0.75000 0.23814 0.94516 1.00000
Nd6 Nd 0.25000 0.73814 0.55484 1.00000
Nd7 Nd 0.25000 0.76186 0.05484 1.00000
Nd8 Nd 0.75000 0.26186 0.44516 1.00000
Mg1 Mg 0.75000 0.54962 0.93808 1.00000
Mg2 Mg 0.25000 0.04962 0.56192 1.00000
Mg3 Mg 0.25000 0.45038 0.06192 1.00000
Mg4 Mg 0.75000 0.95038 0.43808 1.00000
Mg5 Mg 0.75000 0.34244 0.19452 1.00000
Mg6 Mg 0.25000 0.84244 0.30548 1.00000
Mg7 Mg 0.25000 0.65756 0.80548 1.00000
Mg8 Mg 0.75000 0.15756 0.69452 1.00000
Ga1 Ga 0.75000 0.96918 0.96492 1.00000
Ga2 Ga 0.25000 0.46918 0.53508 1.00000
Ga3 Ga 0.25000 0.03082 0.03508 1.00000
Ga4 Ga 0.75000 0.53082 0.46492 1.00000
Ga5 Ga 0.75000 0.77727 0.88791 1.00000
Ga6 Ga 0.25000 0.27727 0.61209 1.00000
Ga7 Ga 0.25000 0.22273 0.11209 1.00000
Ga8 Ga 0.75000 0.72273 0.38791 1.00000
Ga9 Ga 0.75000 0.73967 0.71090 1.00000
Ga10 Ga 0.25000 0.23967 0.78910 1.00000
Ga11 Ga 0.25000 0.26033 0.28910 1.00000
Ga12 Ga 0.75000 0.76033 0.21090 1.00000
Ga13 Ga 0.75000 0.93256 0.63461 1.00000
Ga14 Ga 0.25000 0.43256 0.86539 1.00000
Ga15 Ga 0.25000 0.06744 0.36539 1.00000
Ga16 Ga 0.75000 0.56744 0.13461 1.00000
