Er7Rh3

Traditional Materials TRA

MP-ID: mp-30612 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Er7Rh3

MP-ID

mp-30612

Elements

Sites

Density

9.9922

g/cm³

Volume

491.74

Å³

Cell a

9.6510

Cell b

9.6510

Cell c

6.0963

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
18.01	4.9253	3.5	(1,-1,0,1)
18.01	4.9253	7.0	(1,0,-1,1)
25.85	3.4469	1.6	(2,-2,0,-1)
25.85	3.4469	1.1	(2,0,-2,1)
28.25	3.1590	9.9	(2,-3,1,0)
28.25	3.1590	5.0	(3,-2,-1,0)
28.25	3.1590	9.9	(3,-1,-2,0)
28.25	3.1590	5.0	(2,1,-3,0)
29.30	3.0481	5.4	(0,0,0,2)
31.23	2.8636	100.0	(1,0,-1,2)
31.91	2.8048	19.4	(2,-3,1,1)
31.91	2.8048	77.6	(3,-2,-1,1)
31.91	2.8048	19.4	(3,-2,-1,-1)
31.91	2.8048	96.9	(3,-1,-2,1)
31.91	2.8048	19.4	(2,1,-3,1)
32.13	2.7860	12.9	(3,-3,0,0)
32.13	2.7860	12.9	(0,3,-3,0)
32.13	2.7860	12.9	(3,0,-3,0)
34.81	2.5771	3.1	(1,-2,1,2)
34.81	2.5771	12.2	(2,-1,-1,2)
34.81	2.5771	3.1	(1,1,-2,2)
35.42	2.5339	20.1	(3,-3,0,1)
35.42	2.5339	40.1	(3,-3,0,-1)
35.42	2.5339	20.1	(0,3,-3,1)

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Energy Properties

Formation Energy/atom

-0.64770

eV/atom

Energy/atom

-6.05440

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.6736

eV/atom

Volume/atom

24.59

Å³

c/a Ratio

0.6317

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

Er · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Er · 0.700

Related Tasks

Related computation task IDs (5)

aaadnrjx aaadsbbw aaaeijpl aaaetuiy aaafckrz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30612

Reference Citation

The crystal structure and related material properties of Er7Rh3 were obtained from the Materials Project database (MP-ID: mp-30612, 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_Er7Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65101195
_cell_length_b   9.65101870
_cell_length_c   6.09625610
_cell_angle_alpha   90.00001374
_cell_angle_beta   89.99998982
_cell_angle_gamma   120.00004492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er7Rh3
_chemical_formula_sum   'Er14 Rh6'
_cell_volume   491.74465588
_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
  Er  Er0  1  0.75242265  0.87621127  0.99022847  1.0
  Er  Er1  1  0.87621093  0.12378859  0.49022665  1.0
  Er  Er2  1  0.54148364  0.45851655  0.79891929  1.0
  Er  Er3  1  0.08296634  0.54148399  0.29891778  1.0
  Er  Er4  1  0.45851616  0.91703377  0.29891787  1.0
  Er  Er5  1  0.54148355  0.08296697  0.79891780  1.0
  Er  Er6  1  0.91703341  0.45851669  0.79891769  1.0
  Er  Er7  1  0.45851619  0.54148414  0.29891948  1.0
  Er  Er8  1  0.12378942  0.24757780  0.99022736  1.0
  Er  Er9  1  0.87621053  0.75242267  0.49022734  1.0
  Er  Er10  1  0.24757722  0.12378938  0.49022851  1.0
  Er  Er11  1  0.12378869  0.87621176  0.99022667  1.0
  Er  Er12  1  0.66666575  0.33333352  0.28424770  1.0
  Er  Er13  1  0.33333392  0.66666681  0.78424809  1.0
  Rh  Rh14  1  0.18962872  0.81037320  0.56343980  1.0
  Rh  Rh15  1  0.37925325  0.18962623  0.06343782  1.0
  Rh  Rh16  1  0.81037346  0.62074755  0.06343831  1.0
  Rh  Rh17  1  0.18962492  0.37925120  0.56343761  1.0
  Rh  Rh18  1  0.62074713  0.81037465  0.56343860  1.0
  Rh  Rh19  1  0.81037412  0.18962426  0.06343716  1.0

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