Nd3Ga3IrPd2
Alexandria ALEXAlex-ID: agm036087973 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Nd3Ga3IrPd2
2024-11-14 19:44:24.104864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036087973).
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 agm036087973
data_agm036087973
_cell_length_a 4.52487
_cell_length_b 7.08624
_cell_length_c 23.48560
_cell_angle_alpha 89.94352
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 753.04973
_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 0.50000 0.47151 0.06352 1.00000
Nd2 Nd 0.50000 0.46904 0.39566 1.00000
Nd3 Nd 0.50000 0.47002 0.72946 1.00000
Nd4 Nd 0.50000 0.97118 0.10501 1.00000
Nd5 Nd 0.50000 0.97214 0.43462 1.00000
Nd6 Nd 0.50000 0.97318 0.76935 1.00000
Nd7 Nd 0.00000 0.52049 0.26819 1.00000
Nd8 Nd 0.00000 0.51712 0.60219 1.00000
Nd9 Nd 0.00000 0.51940 0.93625 1.00000
Nd10 Nd 0.00000 0.02113 0.23200 1.00000
Nd11 Nd 0.00000 0.02616 0.56511 1.00000
Nd12 Nd 0.00000 0.02809 0.89908 1.00000
Ga1 Ga 0.50000 0.34170 0.19217 1.00000
Ga2 Ga 0.50000 0.33166 0.52451 1.00000
Ga3 Ga 0.50000 0.33410 0.85824 1.00000
Ga4 Ga 0.50000 0.84018 0.30753 1.00000
Ga5 Ga 0.50000 0.84310 0.64256 1.00000
Ga6 Ga 0.50000 0.84631 0.97675 1.00000
Ga7 Ga 0.00000 0.66608 0.14372 1.00000
Ga8 Ga 0.00000 0.66123 0.47587 1.00000
Ga9 Ga 0.00000 0.66319 0.80971 1.00000
Ga10 Ga 0.00000 0.16614 0.02398 1.00000
Ga11 Ga 0.00000 0.16455 0.35623 1.00000
Ga12 Ga 0.00000 0.16497 0.69006 1.00000
Ir1 Ir 0.50000 0.22097 0.29892 1.00000
Ir2 Ir 0.50000 0.22238 0.63149 1.00000
Ir3 Ir 0.50000 0.22452 0.96476 1.00000
Ir4 Ir 0.50000 0.72098 0.20147 1.00000
Pd1 Pd 0.50000 0.71529 0.53413 1.00000
Pd2 Pd 0.50000 0.71646 0.86804 1.00000
Pd3 Pd 0.00000 0.78507 0.03491 1.00000
Pd4 Pd 0.00000 0.78083 0.36780 1.00000
Pd5 Pd 0.00000 0.78201 0.70101 1.00000
Pd6 Pd 0.00000 0.28424 0.13230 1.00000
Pd7 Pd 0.00000 0.28140 0.46487 1.00000
Pd8 Pd 0.00000 0.28318 0.79850 1.00000
