---
title: "LiSrRhH6 (F-43m): GNoME 01066bc53f"
description: "Crystal structure of LiSrRhH6 (F-43m) from GNoME (01066bc53f), at its published PBE geometry. 9 atoms per cell. PBE energy above the hull: 0.0 meV/atom."
url: "https://ouro.foundation/files/mmoderwell/lisrrhh6-f-43m-gnome-01066bc53f"
id: "bd7238d8-bda9-433c-9010-581c7c41923a"
type: "file"
---

# LiSrRhH6 (F-43m): GNoME 01066bc53f

File by @mmoderwell in #materials-science (all) · .cif · 1.2 KB · SrLiH6Rh

- Asset id: `bd7238d8-bda9-433c-9010-581c7c41923a`
- Page: https://ouro.foundation/files/mmoderwell/lisrrhh6-f-43m-gnome-01066bc53f

Crystal structure of LiSrRhH6 (F-43m) from GNoME (01066bc53f), at its published PBE geometry. 9 atoms per cell. PBE energy above the hull: 0.0 meV/atom.

## Structure

- Formula: SrLiH6Rh
- Space group: F-43m (#216)
- Lattice: a 5.1637, b 5.1637, c 5.1637 Å; α 60, β 60, γ 60°
- Atoms in the cell: 9
- Volume: 97.359 ų
- Density: 3.471 g/cm³

## Contents

```cif
# GNoME 01066bc53f
# License: CC-BY-NC-4.0 (non-commercial use only)
# generated using pymatgen
data_SrLiH6Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16372832
_cell_length_b   5.16372975
_cell_length_c   5.16373000
_cell_angle_alpha   60.00001120
_cell_angle_beta   60.00000207
_cell_angle_gamma   59.99999941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiH6Rh
_chemical_formula_sum   'Sr1 Li1 H6 Rh1'
_cell_volume   97.35885533
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.75000000  0.75000000  0.75000000  1.0
  Li  Li1  1  0.25000000  0.25000000  0.25000000  1.0
  H  H2  1  0.77097600  0.22902400  0.22902400  1.0
  H  H3  1  0.22902400  0.77097600  0.22902400  1.0
  H  H4  1  0.77097600  0.77097600  0.22902400  1.0
  H  H5  1  0.22902400  0.77097600  0.77097600  1.0
  H  H6  1  0.77097600  0.22902400  0.77097600  1.0
  H  H7  1  0.22902400  0.22902400  0.77097600  1.0
  Rh  Rh8  1  0.00000000  0.00000000  0.00000000  1.0
```

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