DyEr9(Bi2As)2

High-Entropy Materials HEA

MP-ID: mp-3292932 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

DyEr9(Bi2As)2

MP-ID

mp-3292932

Elements

Sites

Density

10.2824

g/cm³

Volume

857.08

Å³

Cell a

7.9720

Cell b

8.9880

Cell c

11.9617

α Angle

90.00

β Angle

90.11

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

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
13.34	6.6396	6.0	(1,0,-1)
13.36	6.6279	5.2	(1,0,1)
14.85	5.9641	1.3	(1,1,0)
17.81	4.9792	1.2	(0,1,2)
18.53	4.7885	1.5	(1,0,-2)
18.56	4.7798	1.3	(1,0,2)
19.76	4.4940	2.4	(0,2,0)
22.30	3.9860	4.9	(2,0,0)
23.51	3.7837	1.8	(2,0,-1)
23.54	3.7794	2.0	(2,0,1)
24.95	3.5688	5.3	(1,0,-3)
24.99	3.5634	5.4	(1,0,3)
25.54	3.4873	1.8	(2,1,-1)
25.57	3.4839	2.0	(2,1,1)
27.21	3.2769	5.4	(1,2,-2)
27.24	3.2741	5.4	(1,2,2)
28.67	3.1141	2.4	(2,1,-2)
28.71	3.1093	2.3	(2,1,2)
29.88	2.9904	6.9	(0,0,4)
30.89	2.8944	99.9	(2,2,-1)
30.92	2.8925	100.0	(2,2,1)
31.53	2.8375	2.5	(0,1,4)
31.71	2.8216	20.7	(2,0,-3)
31.77	2.8163	20.0	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.96374

eV/atom

Energy/atom

-38.50967

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.5097

eV/atom

Volume/atom

26.78

Å³

c/a Ratio

1.5005

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.7909

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000920

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.563

Element Family

Lanthanide

Solute Fraction

0.438

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1034

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1739

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4071

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7960

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjfg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292932

Reference Citation

The crystal structure and related material properties of DyEr9(Bi2As)2 were obtained from the Materials Project database (MP-ID: mp-3292932, 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_DyEr9(Bi2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97202367
_cell_length_b   8.98798855
_cell_length_c   11.96164771
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.10876278
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyEr9(Bi2As)2
_chemical_formula_sum   'Dy2 Er18 Bi8 As4'
_cell_volume   857.07990948
_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  0.65225263  0.75000000  0.70853494  1.0
  Dy  Dy1  1  0.34774737  0.25000000  0.29146506  1.0
  Er  Er2  1  0.15109118  0.25000000  0.79291885  1.0
  Er  Er3  1  0.84890882  0.75000000  0.20708115  1.0
  Er  Er4  1  0.13329331  0.75000000  0.79377121  1.0
  Er  Er5  1  0.86670669  0.25000000  0.20622879  1.0
  Er  Er6  1  0.63306978  0.25000000  0.70667462  1.0
  Er  Er7  1  0.36693022  0.75000000  0.29332538  1.0
  Er  Er8  1  0.53254875  0.75000000  0.00106938  1.0
  Er  Er9  1  0.46745125  0.25000000  0.99893062  1.0
  Er  Er10  1  0.03331230  0.25000000  0.49856732  1.0
  Er  Er11  1  0.96668770  0.75000000  0.50143268  1.0
  Er  Er12  1  0.81728595  0.44396487  0.93727801  1.0
  Er  Er13  1  0.18271405  0.55603513  0.06272199  1.0
  Er  Er14  1  0.31718282  0.55565661  0.56295589  1.0
  Er  Er15  1  0.18271405  0.94396487  0.06272199  1.0
  Er  Er16  1  0.68281718  0.44434339  0.43704411  1.0
  Er  Er17  1  0.81728595  0.05603513  0.93727801  1.0
  Er  Er18  1  0.68281718  0.05565661  0.43704411  1.0
  Er  Er19  1  0.31718282  0.94434339  0.56295589  1.0
  Bi  Bi20  1  0.92544641  0.01064475  0.67300437  1.0
  Bi  Bi21  1  0.07455359  0.98935525  0.32699563  1.0
  Bi  Bi22  1  0.42386458  0.99069260  0.82739161  1.0
  Bi  Bi23  1  0.07455359  0.51064475  0.32699563  1.0
  Bi  Bi24  1  0.57613542  0.00930740  0.17260839  1.0
  Bi  Bi25  1  0.92544641  0.48935525  0.67300437  1.0
  Bi  Bi26  1  0.57613542  0.49069260  0.17260839  1.0
  Bi  Bi27  1  0.42386458  0.50930740  0.82739161  1.0
  As  As28  1  0.91488861  0.75000000  0.97846393  1.0
  As  As29  1  0.08511139  0.25000000  0.02153607  1.0
  As  As30  1  0.41595961  0.25000000  0.52145014  1.0
  As  As31  1  0.58404039  0.75000000  0.47854986  1.0

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