CaIn(H4Pd)2
Alexandria ALEXAlex-ID: agm007402864 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2667_spg8
Ca2H6Pd InPd InHPd3 CaH10
2025-05-28 03:40:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007402864).
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
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# CIF generated by HEAS from Alexandria entry agm007402864
data_agm007402864
_cell_length_a 3.66901
_cell_length_b 4.86975
_cell_length_c 7.96640
_cell_angle_alpha 76.99515
_cell_angle_beta 76.74108
_cell_angle_gamma 67.97156
_cell_volume 126.89548
_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 0.06720 0.39770 0.46657 1.00000
In1 In 0.16514 0.75358 0.91353 1.00000
H1 H 0.38116 0.57390 0.66676 1.00000
H2 H 0.66589 0.07224 0.59344 1.00000
H3 H 0.38200 0.81663 0.42067 1.00000
H4 H 0.98507 0.22952 0.79977 1.00000
H5 H 0.99756 0.80415 0.20130 1.00000
H6 H 0.38151 0.19366 0.04284 1.00000
H7 H 0.66042 0.43576 0.24162 1.00000
H8 H 0.32375 0.19024 0.16723 1.00000
Pd1 Pd 0.49461 0.22481 0.78510 1.00000
Pd2 Pd 0.49569 0.80782 0.20117 1.00000
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