Ga5Rh3

传统材料 TRA

MP-ID: mp-30923 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Ga5Rh3

MP-ID

mp-30923

Elements

Sites

Density

9.0937

g/cm³

Volume

240.06

Å³

Cell a

4.9729

Cell b

6.6524

Cell c

7.9028

α Angle

100.92

β Angle

104.64

γ Angle

101.29

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

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
11.96	7.3998	3.3	(0,0,1)
14.03	6.3136	3.2	(0,1,0)
16.00	5.5409	6.4	(0,1,-1)
19.08	4.6505	11.2	(1,0,0)
19.24	4.6124	5.8	(1,0,-1)
20.66	4.2982	6.0	(0,1,1)
24.05	3.6999	7.7	(0,0,2)
24.64	3.6136	21.9	(0,1,-2)
25.51	3.4923	15.5	(1,0,1)
25.87	3.4442	15.7	(1,0,-2)
26.56	3.3559	15.9	(1,1,0)
27.79	3.2099	1.4	(0,2,-1)
28.27	3.1568	4.1	(0,2,0)
29.86	2.9927	18.9	(1,-2,0)
30.10	2.9686	1.0	(1,-1,-2)
31.74	2.8189	7.5	(1,-2,1)
32.31	2.7705	1.1	(0,2,-2)
32.78	2.7320	1.4	(1,-2,-1)
33.55	2.6710	1.2	(0,2,1)
33.57	2.6694	27.6	(1,-1,2)
35.59	2.5229	6.0	(0,1,-3)
35.70	2.5148	5.2	(1,0,-3)
36.01	2.4943	25.5	(1,2,-1)
36.87	2.4381	4.3	(2,0,-1)

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Energy Properties

Formation Energy/atom

-0.59784

eV/atom

Energy/atom

-5.25202

eV/atom

Energy above Hull

0.0036

eV/atom

Uncorrected Energy

-16.8370

eV/atom

Volume/atom

15.00

Å³

c/a Ratio

1.5892

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

Ga · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.677

Family

Binary Alloy

Matrix Element

Ga · 0.625

Related Tasks

Related computation task IDs (5)

aaadnhcu aaadtamf aaaemoeh aaaeufic aaafcdnp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30923

Reference Citation

The crystal structure and related material properties of Ga5Rh3 were obtained from the Materials Project database (MP-ID: mp-30923, 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_Ga5Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97288260
_cell_length_b   6.65241005
_cell_length_c   7.90277372
_cell_angle_alpha   100.91824740
_cell_angle_beta   104.64163680
_cell_angle_gamma   101.28807058
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Rh3
_chemical_formula_sum   'Ga10 Rh6'
_cell_volume   240.06286715
_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
  Ga  Ga0  1  0.77251684  0.53794443  0.53550871  1.0
  Ga  Ga1  1  0.22748316  0.46205557  0.46449129  1.0
  Ga  Ga2  1  0.91721340  0.17833069  0.05108185  1.0
  Ga  Ga3  1  0.08278660  0.82166931  0.94891815  1.0
  Ga  Ga4  1  0.54855416  0.13974532  0.27233273  1.0
  Ga  Ga5  1  0.45144584  0.86025468  0.72766727  1.0
  Ga  Ga6  1  0.68230766  0.47267424  0.87267303  1.0
  Ga  Ga7  1  0.31769234  0.52732576  0.12732697  1.0
  Ga  Ga8  1  0.04084527  0.90481837  0.34764571  1.0
  Ga  Ga9  1  0.95915473  0.09518163  0.65235429  1.0
  Rh  Rh10  1  0.84672310  0.51320665  0.22424142  1.0
  Rh  Rh11  1  0.15327690  0.48679335  0.77575858  1.0
  Rh  Rh12  1  0.63626724  0.82707552  0.04990410  1.0
  Rh  Rh13  1  0.36373276  0.17292448  0.95009590  1.0
  Rh  Rh14  1  0.54659978  0.80463954  0.42240281  1.0
  Rh  Rh15  1  0.45340022  0.19536046  0.57759719  1.0

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