Dy3Y7Rh4

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3293861 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy3Y7Rh4

MP-ID

mp-3293861

Elements

Sites

Density

6.8709

g/cm³

Volume

367.70

Å³

Cell a

6.4456

Cell b

7.1311

Cell c

8.6704

α Angle

96.61

β Angle

111.61

γ Angle

89.86

Space Group

Point Group

Crystal System

Triclinic

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
11.06	7.9998	31.2	(0,0,1)
12.51	7.0771	5.5	(0,1,0)
14.80	5.9868	53.2	(1,0,0)
14.84	5.9704	34.4	(1,0,-1)
15.67	5.6567	3.4	(0,1,-1)
17.72	5.0042	2.5	(0,1,1)
18.98	4.6765	14.0	(1,1,-1)
19.00	4.6717	4.2	(1,-1,0)
19.84	4.4761	42.5	(1,1,0)
19.92	4.4581	16.6	(1,-1,-1)
21.67	4.1010	4.0	(1,0,-2)
22.22	3.9999	1.5	(0,0,2)
23.97	3.7119	17.6	(1,-1,1)
24.01	3.7065	10.0	(1,1,-2)
24.18	3.6814	1.1	(0,1,-2)
25.17	3.5385	7.8	(0,2,0)
26.03	3.4229	5.2	(1,1,1)
27.68	3.2228	5.8	(2,0,-1)
28.70	3.1109	39.6	(1,2,-1)
28.74	3.1058	42.5	(1,-2,0)
28.82	3.0983	4.6	(0,2,1)
29.85	2.9934	2.0	(2,0,0)
29.88	2.9900	18.2	(1,2,0)
29.93	2.9852	2.8	(2,0,-2)

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Energy Properties

Formation Energy/atom

-0.61102

eV/atom

Energy/atom

-24.51713

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.5171

eV/atom

Volume/atom

26.26

Å³

c/a Ratio

1.3452

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9605

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002610

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0346

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6017

J/mol·K

Ω Parameter

0.5694

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.182%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4789

smaller = more stable mixing

VEC

6.214

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.681

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9417

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkoz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293861

Reference Citation

The crystal structure and related material properties of Dy3Y7Rh4 were obtained from the Materials Project database (MP-ID: mp-3293861, 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_Dy3Y7Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44555943
_cell_length_b   7.13112899
_cell_length_c   8.67036155
_cell_angle_alpha   96.61006658
_cell_angle_beta   111.61142576
_cell_angle_gamma   89.86398946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Y7Rh4
_chemical_formula_sum   'Dy3 Y7 Rh4'
_cell_volume   367.70165003
_cell_formula_units_Z   1
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  0.35137243  0.68513587  0.56557052  1.0
  Dy  Dy1  1  0.42734468  0.25042835  0.99998923  1.0
  Dy  Dy2  1  0.57209158  0.74979650  0.99996162  1.0
  Y  Y3  1  0.79379539  0.08394392  0.81180176  1.0
  Y  Y4  1  0.98172415  0.41630407  0.18960731  1.0
  Y  Y5  1  0.20736844  0.91636219  0.18945767  1.0
  Y  Y6  1  0.01874922  0.58367846  0.81140228  1.0
  Y  Y7  1  0.21331233  0.18544730  0.56469892  1.0
  Y  Y8  1  0.64862276  0.31438425  0.43537547  1.0
  Y  Y9  1  0.78734252  0.81427934  0.43533143  1.0
  Rh  Rh10  1  0.59627306  0.42892000  0.78014056  1.0
  Rh  Rh11  1  0.81587260  0.07218230  0.21626613  1.0
  Rh  Rh12  1  0.40167393  0.57268128  0.21926626  1.0
  Rh  Rh13  1  0.18445693  0.92645919  0.78113182  1.0

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