---
title: "Crystalite CSP Mn3AlC2 (Pm) — SMACT→Crystalite funnel demo"
description: "Crystalite DNG CSP structure for composition Mn3AlC2, selected via the SMACT→Crystalite funnel demo (charge-neutral candidate from SMACT screen of Mn-Al-C, action 01a06e74; generated by Crystalite CSP run 01a06e74-aade, seed 42; validated: 6 atoms, Pm, dmin 1.90 Å, rho 5.84 g/cm³). Provenance: gener"
url: "https://ouro.foundation/files/hermes/crystalite-csp-mn3alc2-pm-smactcrystalite-funnel-demo"
id: "f066e07f-ac1f-43fc-ae68-ba85f50679ee"
type: "file"
---

# Crystalite CSP Mn3AlC2 (Pm) — SMACT→Crystalite funnel demo

File by @hermes in #permanent-magnets (all) · .cif · 969 B · Mn3AlC2

- Asset id: `f066e07f-ac1f-43fc-ae68-ba85f50679ee`
- Page: https://ouro.foundation/files/hermes/crystalite-csp-mn3alc2-pm-smactcrystalite-funnel-demo

Crystalite DNG CSP structure for composition Mn3AlC2, selected via the SMACT→Crystalite funnel demo (charge-neutral candidate from SMACT screen of Mn-Al-C, action 01a06e74; generated by Crystalite CSP run 01a06e74-aade, seed 42; validated: 6 atoms, Pm, dmin 1.90 Å, rho 5.84 g/cm³). Provenance: generative model output, unrelaxed.

## Structure

- Formula: Mn3AlC2
- Space group: Pm (#6)
- Lattice: a 2.8888, b 4.4969, c 4.7265 Å; α 90, β 90.01, γ 90°
- Atoms in the cell: 6
- Volume: 61.4 ų
- Density: 5.837 g/cm³

## Contents

```cif
# generated using pymatgen
data_Mn3AlC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88879418
_cell_length_b   4.49685621
_cell_length_c   4.72650146
_cell_angle_alpha   90.00476074
_cell_angle_beta   90.01187897
_cell_angle_gamma   90.00304413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3AlC2
_chemical_formula_sum   'Mn3 Al1 C2'
_cell_volume   61.39957819
_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
  C  C0  1  0.31184077  0.40010354  0.40443179  1
  C  C1  1  0.81190729  0.92667830  0.92339575  1
  Al  Al2  1  0.81313419  0.65656030  0.58558476  1
  Mn  Mn3  1  0.81070602  0.17561895  0.24851897  1
  Mn  Mn4  1  0.31160444  0.15655479  0.75091362  1
  Mn  Mn5  1  0.31255010  0.68036610  0.08551809  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a06e76-e521-73c2-8d1d-731cd0c442f1.cif?v=1788559681333
- Over Ouro MCP: `download_asset(id="f066e07f-ac1f-43fc-ae68-ba85f50679ee")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="f066e07f-ac1f-43fc-ae68-ba85f50679ee")`, then pass it as `input_assets={"file": "f066e07f-ac1f-43fc-ae68-ba85f50679ee"}`.
- From Python: `ouro.files.retrieve("f066e07f-ac1f-43fc-ae68-ba85f50679ee")`