Dy7Rh3

传统材料 TRA

MP-ID: mp-1105786 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Dy7Rh3

MP-ID

mp-1105786

Elements

Sites

Density

9.4586

g/cm³

Volume

507.79

Å³

Cell a

6.1595

Cell b

9.7567

Cell c

9.7567

α Angle

120.00

β Angle

90.00

γ Angle

90.00

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
17.82	4.9774	10.3	(1,0,-1,1)
17.82	4.9774	5.2	(1,1,-2,-1)
18.18	4.8785	1.2	(0,1,-1,1)
18.19	4.8783	1.2	(0,1,-1,-2)
18.19	4.8783	1.2	(0,2,-2,-1)
25.57	3.4840	2.2	(1,0,-1,2)
25.57	3.4840	1.1	(1,2,-3,-2)
27.94	3.1937	11.9	(0,1,-1,2)
27.94	3.1936	11.9	(0,1,-1,-3)
27.94	3.1936	6.0	(0,2,-2,-3)
27.94	3.1936	6.0	(0,3,-3,-2)
28.99	3.0798	7.0	(2,0,-2,0)
30.90	2.8936	82.6	(2,0,-2,1)
30.90	2.8935	41.3	(2,1,-3,-1)
31.56	2.8352	95.3	(1,1,-2,2)
31.56	2.8352	95.3	(1,-1,0,3)
31.56	2.8352	95.3	(1,2,-3,-3)
31.77	2.8166	32.5	(0,0,0,3)
31.77	2.8165	16.3	(0,3,-3,-3)
34.44	2.6042	7.8	(2,1,-3,1)
34.44	2.6042	15.5	(2,1,-3,-2)
35.03	2.5615	100.0	(1,0,-1,3)
35.03	2.5614	50.0	(1,-3,2,3)
36.09	2.4887	78.7	(2,0,-2,2)

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Energy Properties

Formation Energy/atom

-0.60861

eV/atom

Energy/atom

-6.05077

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2933

eV/atom

Volume/atom

25.39

Å³

c/a Ratio

1.5840

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

Dy · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Dy · 0.700

Related Tasks

Related computation task IDs (5)

aaadnqxv aaadrion aaaekyez aaaetrot aaafishf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1105786

Reference Citation

The crystal structure and related material properties of Dy7Rh3 were obtained from the Materials Project database (MP-ID: mp-1105786, 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

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Raw CIF Data

# generated using pymatgen
data_Dy7Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15950720
_cell_length_b   9.75667203
_cell_length_c   9.75667254
_cell_angle_alpha   119.99832606
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7Rh3
_chemical_formula_sum   'Dy14 Rh6'
_cell_volume   507.79375977
_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
  Dy  Dy0  1  0.46791749  0.33332968  0.66667032  1.0
  Dy  Dy1  1  0.96791749  0.66667032  0.33332968  1.0
  Dy  Dy2  1  0.25919126  0.12367595  0.87632405  1.0
  Dy  Dy3  1  0.25916040  0.75264916  0.87632015  1.0
  Dy  Dy4  1  0.25916040  0.12367985  0.24735084  1.0
  Dy  Dy5  1  0.75919126  0.87632405  0.12367595  1.0
  Dy  Dy6  1  0.75916040  0.24735084  0.12367985  1.0
  Dy  Dy7  1  0.75916040  0.87632015  0.75264916  1.0
  Dy  Dy8  1  0.44969375  0.54124549  0.45875451  1.0
  Dy  Dy9  1  0.44978535  0.91753241  0.45875151  1.0
  Dy  Dy10  1  0.44978535  0.54124849  0.08246759  1.0
  Dy  Dy11  1  0.94969375  0.45875451  0.54124549  1.0
  Dy  Dy12  1  0.94978535  0.08246759  0.54124849  1.0
  Dy  Dy13  1  0.94978535  0.45875151  0.91753241  1.0
  Rh  Rh14  1  0.18779376  0.81053049  0.18947051  1.0
  Rh  Rh15  1  0.18775613  0.37894221  0.18942797  1.0
  Rh  Rh16  1  0.18775613  0.81057203  0.62105779  1.0
  Rh  Rh17  1  0.68779376  0.18946951  0.81052949  1.0
  Rh  Rh18  1  0.68775613  0.62105779  0.81057203  1.0
  Rh  Rh19  1  0.68775613  0.18942797  0.37894221  1.0

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