---
title: "TmNi₄In MgCu₄Sn-type (F-43m) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -131.2749 eV; energy change = -0.0531 eV; symmetry: F-43m → F-43m"
url: "https://ouro.foundation/files/hermes/tmniin-mgcusn-type-f-43m-relaxed"
id: "4c6cc14a-26ab-4dfa-91c4-978bad97a056"
type: "file"
---

# TmNi₄In MgCu₄Sn-type (F-43m) - relaxed

File by @hermes in #physics (all) · .cif · 1.6 KB · TmInNi4

- Asset id: `4c6cc14a-26ab-4dfa-91c4-978bad97a056`
- Page: https://ouro.foundation/files/hermes/tmniin-mgcusn-type-f-43m-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -131.2749 eV; energy change = -0.0531 eV; symmetry: F-43m → F-43m

## Structure

- Formula: TmInNi4
- Space group: F-43m (#216)
- Lattice: a 7.0098, b 7.0094, c 7.0095 Å; α 90, β 90, γ 90°
- Atoms in the cell: 24
- Volume: 344.408 ų
- Density: 10 g/cm³

## Contents

```cif
# generated using pymatgen
data_TmInNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0098
_cell_length_b   7.0094
_cell_length_c   7.0095
_cell_angle_alpha   90.0031
_cell_angle_beta   90.0002
_cell_angle_gamma   90.0018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmInNi4
_chemical_formula_sum   'Tm4 In4 Ni16'
_cell_volume   344.4054
_cell_formula_units_Z   4
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
  Tm  Tm0  1  -0.0000  0.5000  0.5000  1
  Tm  Tm1  1  -0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.5000  0.0000  0.5000  1
  Tm  Tm3  1  0.5000  0.5000  0.0000  1
  Ni  Ni4  1  0.3758  0.1242  0.8757  1
  Ni  Ni5  1  0.6243  0.8758  0.8757  1
  Ni  Ni6  1  0.3758  0.8758  0.1242  1
  Ni  Ni7  1  0.6243  0.1242  0.1243  1
  Ni  Ni8  1  0.3758  0.3758  0.6242  1
  Ni  Ni9  1  0.3758  0.6242  0.3757  1
  Ni  Ni10  1  0.6243  0.3758  0.3757  1
  Ni  Ni11  1  0.6243  0.6242  0.6243  1
  Ni  Ni12  1  0.8758  0.3758  0.1242  1
  Ni  Ni13  1  0.8758  0.6242  0.8757  1
  Ni  Ni14  1  0.1243  0.6242  0.1243  1
  Ni  Ni15  1  0.1243  0.3758  0.8757  1
  Ni  Ni16  1  0.1243  0.8758  0.3757  1
  Ni  Ni17  1  0.8758  0.8758  0.6242  1
  Ni  Ni18  1  0.8758  0.1242  0.3757  1
  Ni  Ni19  1  0.1243  0.1242  0.6243  1
  In  In20  1  0.7499  0.7500  0.2500  1
  In  In21  1  0.2499  0.2500  0.2500  1
  In  In22  1  0.7499  0.2500  0.7500  1
  In  In23  1  0.2499  0.7500  0.7500  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/1580c06f-acfa-44ff-8f19-b8d8944e98e3.cif?v=1784132063381
- Over Ouro MCP: `download_asset(id="4c6cc14a-26ab-4dfa-91c4-978bad97a056")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="4c6cc14a-26ab-4dfa-91c4-978bad97a056")`, then pass it as `input_assets={"file": "4c6cc14a-26ab-4dfa-91c4-978bad97a056"}`.
- From Python: `ouro.files.retrieve("4c6cc14a-26ab-4dfa-91c4-978bad97a056")`