InRh3

传统材料 TRA

MP-ID: mp-1184791 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

InRh3

MP-ID

mp-1184791

Elements

Sites

Density

11.5823

g/cm³

Volume

121.44

Å³

Cell a

5.5780

Cell b

5.5780

Cell c

4.5071

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 10)

2θ	d (Å)	I	hkl
37.23	2.4153	24.3	(2,0,-2,0)
40.01	2.2535	26.5	(0,0,0,2)
42.46	2.1289	100.0	(2,0,-2,1)
55.79	1.6477	14.7	(2,0,-2,2)
67.12	1.3945	16.4	(4,-2,-2,0)
74.36	1.2757	18.3	(2,0,-2,3)
79.34	1.2077	2.5	(4,0,-4,0)
81.10	1.1858	19.2	(4,-2,-2,2)
82.73	1.1665	13.7	(4,0,-4,1)
86.34	1.1268	2.8	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.19243

eV/atom

Energy/atom

-23.93925

eV/atom

Energy above Hull

0.0574

eV/atom

Uncorrected Energy

-23.9392

eV/atom

Volume/atom

15.18

Å³

c/a Ratio

0.8080

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.683

Family

Binary Alloy

Matrix Element

Rh · 0.750

Related Tasks

Related computation task IDs (5)

aaadocmn aaadvrjx aaaemgnd aaaeqckz aaafbbao

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184791

Reference Citation

The crystal structure and related material properties of InRh3 were obtained from the Materials Project database (MP-ID: mp-1184791, 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_InRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57795154
_cell_length_b   5.57795154
_cell_length_c   4.50704552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRh3
_chemical_formula_sum   'In2 Rh6'
_cell_volume   121.44287806
_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
  In  In0  1  0.66666700  0.33333300  0.25000000  1.0
  In  In1  1  0.33333300  0.66666700  0.75000000  1.0
  Rh  Rh2  1  0.83720849  0.16279151  0.75000000  1.0
  Rh  Rh3  1  0.32558302  0.16279151  0.75000000  1.0
  Rh  Rh4  1  0.83720849  0.67441698  0.75000000  1.0
  Rh  Rh5  1  0.16279151  0.83720849  0.25000000  1.0
  Rh  Rh6  1  0.67441698  0.83720849  0.25000000  1.0
  Rh  Rh7  1  0.16279151  0.32558302  0.25000000  1.0

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