Cr2Ni

Traditional Materials TRA

MP-ID: mp-1077252 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Cr2Ni

MP-ID

mp-1077252

Elements

Sites

Density

7.6450

g/cm³

Volume

70.67

Å³

Cell a

4.6408

Cell b

4.6408

Cell c

4.6408

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
23.48	3.7892	1.6	(1,1,1)
38.81	2.3204	35.8	(2,1,1)
45.86	1.9788	100.0	(2,2,1)
48.02	1.8946	32.7	(2,2,2)
56.05	1.6408	2.1	(2,2,0)
70.26	1.3397	11.0	(3,3,2)
75.23	1.2631	26.5	(3,3,3)
83.28	1.1602	22.0	(4,2,2)

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Energy Properties

Formation Energy/atom

0.27876

eV/atom

Energy/atom

-13.76404

eV/atom

Energy above Hull

0.2788

eV/atom

Uncorrected Energy

-8.0925

eV/atom

Volume/atom

11.78

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0026

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.727

Family

Binary Alloy

Matrix Element

Cr · 0.667

Related Tasks

Related computation task IDs (5)

aaadobtd aaadwbpy aaadykwq aaaetioi aaafxeno

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077252

Reference Citation

The crystal structure and related material properties of Cr2Ni were obtained from the Materials Project database (MP-ID: mp-1077252, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Cr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64075312
_cell_length_b   4.64075312
_cell_length_c   4.64075312
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ni
_chemical_formula_sum   'Cr4 Ni2'
_cell_volume   70.67249076
_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
  Cr  Cr0  1  0.62500000  0.62500000  0.12500000  1.0
  Cr  Cr1  1  0.62500000  0.12500000  0.62500000  1.0
  Cr  Cr2  1  0.12500000  0.62500000  0.62500000  1.0
  Cr  Cr3  1  0.62500000  0.62500000  0.62500000  1.0
  Ni  Ni4  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0

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