Ca2Tb7Pd2
Alexandria ALEXAlex-ID: agm008530574 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1726_spg2
Tb3Pd Ca Tb
2024-06-24 11:43:31.637399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008530574).
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 agm008530574
data_agm008530574
_cell_length_a 7.09889
_cell_length_b 7.44489
_cell_length_c 13.63812
_cell_angle_alpha 103.22264
_cell_angle_beta 96.49501
_cell_angle_gamma 102.49888
_cell_volume 674.94089
_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 0.89310 0.87565 0.84149 1.00000
Ca2 Ca 0.84229 0.39355 0.36374 1.00000
Ca3 Ca 0.15771 0.60645 0.63626 1.00000
Ca4 Ca 0.10690 0.12435 0.15851 1.00000
Tb1 Tb 0.59769 0.94023 0.60553 1.00000
Tb2 Tb 0.49594 0.49257 0.85974 1.00000
Tb3 Tb 0.60757 0.44834 0.60868 1.00000
Tb4 Tb 0.91317 0.32830 0.78489 1.00000
Tb5 Tb 0.82266 0.31705 0.01076 1.00000
Tb6 Tb 0.82076 0.90059 0.37501 1.00000
Tb7 Tb 0.57400 0.99382 0.14564 1.00000
Tb8 Tb 0.42600 0.00618 0.85436 1.00000
Tb9 Tb 0.17924 0.09941 0.62499 1.00000
Tb10 Tb 0.17734 0.68295 0.98924 1.00000
Tb11 Tb 0.08683 0.67170 0.21511 1.00000
Tb12 Tb 0.39243 0.55166 0.39132 1.00000
Tb13 Tb 0.50406 0.50743 0.14026 1.00000
Tb14 Tb 0.40231 0.05977 0.39447 1.00000
Pd1 Pd 0.85968 0.22592 0.54804 1.00000
Pd2 Pd 0.21450 0.27710 0.95741 1.00000
Pd3 Pd 0.78550 0.72290 0.04259 1.00000
Pd4 Pd 0.14032 0.77408 0.45196 1.00000
