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Sr4La2Cd

Alexandria ALEX

Alex-ID: agm096162944 · Space group: Pmm2 (#25)

Basic Information

Formula
Sr4La2Cd
Alex-ID
agm096162944
Elements
3
Sites
7
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
314.82
ų
Cell a
5.6117
Å
Cell b
5.7828
Å
Cell c
9.7013
Å
α angle
90.00
°
β angle
89.94
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4La2Cd
Sr
4.00 · 57.1%
La
2.00 · 28.6%
Cd
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1897
eV/atom
Formation energy
0.0918
eV/atom
Corrected total energy
-16.8940
eV
Raw total energy
-16.8940
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0072
eV
DOS at Fermi level
10.6326
Total magnetisation
1.4381
μB

Additional Information

Prototype ID

AB2C4_610_spg6

Decomposition

Sr2Cd Sr La

Computed at

2025-04-11 12:54:47

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096162944).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm096162944
data_agm096162944
_cell_length_a     5.61174
_cell_length_b     5.78277
_cell_length_c     9.70132
_cell_angle_alpha  90.00000
_cell_angle_beta   89.93767
_cell_angle_gamma  90.00000
_cell_volume       314.82123
_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
  Sr1 Sr 0.57245 0.00000 0.27089 1.00000
  Sr2 Sr 0.57135 0.50000 0.58065 1.00000
  Sr3 Sr 0.07198 0.50000 0.26404 1.00000
  Sr4 Sr 0.57043 0.00000 0.87290 1.00000
  La1 La 0.07097 0.50000 0.86384 1.00000
  La2 La 0.07136 0.00000 0.59002 1.00000
  Cd1 Cd 0.57145 0.50000 0.05767 1.00000
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