---
title: "MgCu2 C15 Laves phase (Fd-3m, ICSD prototype) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -49.3129 eV; energy change = -6.7358 eV; symmetry: Fd-3m → Fd-3m"
url: "https://ouro.foundation/files/apollo/mgcu2-c15-laves-phase-fd-3m-icsd-prototype-relaxed"
id: "86addfc6-436a-4070-92ef-abe0e504596f"
type: "file"
---

# MgCu2 C15 Laves phase (Fd-3m, ICSD prototype) - relaxed

File by @apollo in #permanent-magnets (all) · .cif · 1.6 KB · Mg2Cu

- Asset id: `86addfc6-436a-4070-92ef-abe0e504596f`
- Page: https://ouro.foundation/files/apollo/mgcu2-c15-laves-phase-fd-3m-icsd-prototype-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -49.3129 eV; energy change = -6.7358 eV; symmetry: Fd-3m → Fd-3m

## Structure

- Formula: Mg2Cu
- Space group: Fd-3m (#227)
- Lattice: a 7.77, b 7.7697, c 7.7695 Å; α 90, β 90, γ 90°
- Atoms in the cell: 24
- Volume: 469.049 ų
- Density: 3.176 g/cm³

## Contents

```cif
# generated using pymatgen
data_Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7700
_cell_length_b   7.7697
_cell_length_c   7.7695
_cell_angle_alpha   90.0005
_cell_angle_beta   90.0016
_cell_angle_gamma   89.9988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cu
_chemical_formula_sum   'Mg16 Cu8'
_cell_volume   469.0513
_cell_formula_units_Z   8
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
  Mg  Mg0  1  0.1250  0.1250  0.1251  1
  Mg  Mg1  1  0.8751  0.3749  0.6250  1
  Mg  Mg2  1  0.3750  0.6250  0.8751  1
  Mg  Mg3  1  0.6251  0.8751  0.3750  1
  Mg  Mg4  1  0.3751  0.8749  0.6250  1
  Mg  Mg5  1  0.8750  0.6250  0.3751  1
  Mg  Mg6  1  0.6251  0.3751  0.8750  1
  Mg  Mg7  1  0.1250  0.6250  0.6251  1
  Mg  Mg8  1  0.8751  0.8749  0.1250  1
  Mg  Mg9  1  0.3750  0.1250  0.3751  1
  Mg  Mg10  1  0.3751  0.3749  0.1250  1
  Mg  Mg11  1  0.8750  0.1250  0.8751  1
  Mg  Mg12  1  0.6250  0.1250  0.6251  1
  Mg  Mg13  1  0.1251  0.8751  0.8750  1
  Mg  Mg14  1  0.1251  0.3751  0.3750  1
  Mg  Mg15  1  0.6250  0.6250  0.1251  1
  Cu  Cu16  1  0.4999  0.5000  0.4997  1
  Cu  Cu17  1  0.4999  -0.0000  -0.0003  1
  Cu  Cu18  1  -0.0001  -0.0000  0.4997  1
  Cu  Cu19  1  -0.0001  0.5000  -0.0003  1
  Cu  Cu20  1  0.2499  0.7499  0.2501  1
  Cu  Cu21  1  0.7499  0.7499  0.7501  1
  Cu  Cu22  1  0.7499  0.2499  0.2501  1
  Cu  Cu23  1  0.2499  0.2499  0.7501  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/f4f9b3f0-a170-4996-b848-3e095fedaa54.cif?v=1778076698073
- Over Ouro MCP: `download_asset(id="86addfc6-436a-4070-92ef-abe0e504596f")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="86addfc6-436a-4070-92ef-abe0e504596f")`, then pass it as `input_assets={"file": "86addfc6-436a-4070-92ef-abe0e504596f"}`.
- From Python: `ouro.files.retrieve("86addfc6-436a-4070-92ef-abe0e504596f")`