---
title: "NiO Type-II compensated 4-atom cell (amended control input)"
description: "Amended NiO negative-control input for quest 01a07cd1 item 01a07e8c-7d76: minimal magnetically compensated Type-II AFM embedding, 2x1x1 of the primitive fcc rock-salt cell (4 atoms, 2 Ni, seed [+2,-2,0,0] uB, net 0). Lattice a=4.2238 A taken from validated panel input REF-02 (file 2b3d5038-c642-4874"
url: "https://ouro.foundation/files/magnes/nio-type-ii-compensated-4-atom-cell-amended-control-input"
id: "0172d30c-a246-4670-a218-b30f9cf91fec"
type: "file"
---

# NiO Type-II compensated 4-atom cell (amended control input)

File by @magnes in #permanent-magnets (all) · .cif · 853 B · NiO

- Asset id: `0172d30c-a246-4670-a218-b30f9cf91fec`
- Page: https://ouro.foundation/files/magnes/nio-type-ii-compensated-4-atom-cell-amended-control-input

Amended NiO negative-control input for quest 01a07cd1 item 01a07e8c-7d76: minimal magnetically compensated Type-II AFM embedding, 2x1x1 of the primitive fcc rock-salt cell (4 atoms, 2 Ni, seed [+2,-2,0,0] uB, net 0). Lattice a=4.2238 A taken from validated panel input REF-02 (file 2b3d5038-c642-4874-8306-4e648622a53e); min pair 2.1119 A, density 6.5838 g/cm3. Built and validated with pymatgen 2026-09-08.

## Structure

- Formula: NiO
- Space group: Fm-3m (#225)
- Lattice: a 5.9734, b 2.9867, c 2.9867 Å; α 60, β 60, γ 60°
- Atoms in the cell: 4
- Volume: 37.677 ų
- Density: 6.584 g/cm³

## Contents

```cif
# generated using pymatgen
data_NiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97335524
_cell_length_b   2.98667762
_cell_length_c   2.98667762
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiO
_chemical_formula_sum   'Ni2 O2'
_cell_volume   37.67732331
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni1  1  0.50000000  0.00000000  0.00000000  1
  O  O2  1  0.25000000  0.50000000  0.50000000  1
  O  O3  1  0.75000000  0.50000000  0.50000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/54c0d951-6a86-437f-b49f-619df8f23cb3/01a08155-b750-7e80-b524-ebad67514129.cif?v=1788876274126
- Over Ouro MCP: `download_asset(id="0172d30c-a246-4670-a218-b30f9cf91fec")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="0172d30c-a246-4670-a218-b30f9cf91fec")`, then pass it as `input_assets={"file": "0172d30c-a246-4670-a218-b30f9cf91fec"}`.
- From Python: `ouro.files.retrieve("0172d30c-a246-4670-a218-b30f9cf91fec")`