CaNd3Ga2
Alexandria ALEXAlex-ID: agm035949040 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_347_spg11
Nd5Ga3 CaNdGa Nd
2025-04-15 04:32:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035949040).
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 agm035949040
data_agm035949040
_cell_length_a 6.87279
_cell_length_b 5.23135
_cell_length_c 9.42919
_cell_angle_alpha 90.00000
_cell_angle_beta 90.67202
_cell_angle_gamma 90.00000
_cell_volume 338.99324
_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 0.50993 0.25000 0.20865 1.00000
Ca2 Ca 0.49007 0.75000 0.79135 1.00000
Nd1 Nd 0.31397 0.75000 0.41288 1.00000
Nd2 Nd 0.68603 0.25000 0.58712 1.00000
Nd3 Nd 0.99792 0.75000 0.69727 1.00000
Nd4 Nd 0.00208 0.25000 0.30273 1.00000
Nd5 Nd 0.20249 0.25000 0.92161 1.00000
Nd6 Nd 0.79751 0.75000 0.07839 1.00000
Ga1 Ga 0.22067 0.25000 0.59440 1.00000
Ga2 Ga 0.77933 0.75000 0.40560 1.00000
Ga3 Ga 0.26327 0.75000 0.08936 1.00000
Ga4 Ga 0.73673 0.25000 0.91064 1.00000
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