DyTm2Ni6(B2C)3
Alexandria ALEXAlex-ID: agm010889757 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E6_3_spg139
DyNi2B2C TmNi2B2C
2024-09-14 15:17:18.775970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010889757).
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 agm010889757
data_agm010889757
_cell_length_a 15.86723
_cell_length_b 15.86723
_cell_length_c 15.86723
_cell_angle_alpha 167.30183
_cell_angle_beta 167.30183
_cell_angle_gamma 17.99506
_cell_volume 193.01238
_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
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.83324 0.83324 0.00000 1.00000
Tm2 Tm 0.16676 0.16676 0.00000 1.00000
Ni1 Ni 0.41639 0.91639 0.50000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
Ni3 Ni 0.08361 0.58361 0.50000 1.00000
Ni4 Ni 0.91639 0.41639 0.50000 1.00000
Ni5 Ni 0.25000 0.75000 0.50000 1.00000
Ni6 Ni 0.58361 0.08361 0.50000 1.00000
B1 B 0.38082 0.38082 0.00000 1.00000
B2 B 0.71430 0.71430 0.00000 1.00000
B3 B 0.04763 0.04763 0.00000 1.00000
B4 B 0.95237 0.95237 0.00000 1.00000
B5 B 0.28570 0.28570 0.00000 1.00000
B6 B 0.61918 0.61918 0.00000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.33324 0.33324 0.00000 1.00000
C3 C 0.66676 0.66676 0.00000 1.00000
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