VRh

Traditional Materials TRA

MP-ID: mp-971751 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

VRh

MP-ID

mp-971751

Elements

Sites

Density

9.5060

g/cm³

Volume

53.75

Å³

Cell a

4.4132

Cell b

4.4132

Cell c

2.7922

α Angle

90.00

β Angle

90.00

γ Angle

81.25

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
20.36	4.3618	1.9	(1,0,0)
26.61	3.3496	16.9	(1,1,0)
31.13	2.8734	22.1	(1,-1,0)
32.05	2.7922	15.4	(0,0,1)
38.27	2.3517	16.8	(1,0,1)
41.40	2.1809	93.9	(2,0,0)
42.13	2.1448	100.0	(1,1,1)
43.48	2.0815	25.8	(2,1,0)
45.29	2.0025	82.2	(1,-1,1)
49.49	1.8418	10.4	(2,-1,0)
53.30	1.7188	14.7	(2,0,1)
54.81	1.6748	14.7	(2,2,0)
55.03	1.6688	10.4	(2,1,1)
64.39	1.4470	1.2	(3,1,0)
64.90	1.4367	9.8	(2,-2,0)
67.03	1.3961	13.4	(0,0,2)
71.45	1.3204	5.8	(3,-1,0)
72.43	1.3049	5.8	(3,2,0)
73.43	1.2896	17.1	(3,0,1)
73.49	1.2887	2.2	(1,1,2)
73.75	1.2847	20.2	(3,1,1)
74.24	1.2775	6.5	(2,-2,1)
75.75	1.2557	3.6	(1,-1,2)
80.46	1.1936	17.9	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.43166

eV/atom

Energy/atom

-19.54456

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.5446

eV/atom

Volume/atom

13.44

Å³

c/a Ratio

0.6327

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

V · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.789

Family

Binary Alloy

Matrix Element

V · 0.500

Related Tasks

Related computation task IDs (5)

aaaciqwn aaadseto aaaelfhs aaaeuqwi aaafsbhq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-971751

Reference Citation

The crystal structure and related material properties of VRh were obtained from the Materials Project database (MP-ID: mp-971751, 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_VRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41320554
_cell_length_b   4.41320554
_cell_length_c   2.79222287
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.24715881
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRh
_chemical_formula_sum   'V2 Rh2'
_cell_volume   53.74906316
_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
  V  V0  1  0.29627889  0.70372011  -0.00000000  1.0
  V  V1  1  0.70372011  0.29627889  -0.00000000  1.0
  Rh  Rh2  1  0.21594552  0.21594552  0.50000000  1.0
  Rh  Rh3  1  0.78405548  0.78405548  0.50000000  1.0

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