Y7Ho13(Bi2P)4

High-Entropy Materials HEA

MP-ID: mp-3296174 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Y7Ho13(Bi2P)4

MP-ID

mp-3296174

Elements

Sites

Density

8.7953

g/cm³

Volume

861.33

Å³

Cell a

7.9893

Cell b

8.8902

Cell c

12.1269

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

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
7.29	12.1269	1.1	(0,0,1)
13.27	6.6717	19.9	(1,0,1)
13.27	6.6716	13.4	(1,0,-1)
14.91	5.9424	4.7	(1,1,0)
17.71	5.0093	1.4	(0,1,2)
19.97	4.4451	27.7	(0,2,0)
22.25	3.9947	7.3	(2,0,0)
23.45	3.7941	11.2	(2,0,1)
23.45	3.7941	11.4	(2,0,-1)
24.68	3.6069	7.6	(1,0,3)
24.68	3.6069	6.5	(1,0,-3)
24.84	3.5849	2.2	(0,2,2)
25.53	3.4896	5.8	(2,1,1)
25.53	3.4896	5.8	(2,1,-1)
26.67	3.3423	1.1	(1,1,3)
26.72	3.3358	2.0	(2,0,2)
26.72	3.3358	1.4	(2,0,-2)
27.27	3.2708	3.6	(1,2,2)
27.27	3.2708	2.5	(1,2,-2)
28.58	3.1232	1.2	(2,1,2)
28.58	3.1232	2.6	(2,1,-2)
29.46	3.0317	1.7	(0,0,4)
30.08	2.9712	2.4	(2,2,0)
30.99	2.8858	83.1	(2,2,1)

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Energy Properties

Formation Energy/atom

-1.01760

eV/atom

Energy/atom

-34.57008

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.5701

eV/atom

Volume/atom

26.92

Å³

c/a Ratio

1.5179

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0020

μB

Mag. Ordering

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

Ho · 0.406

Element Family

Lanthanide

Solute Fraction

0.594

Interstitial Fraction

0.125

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3049

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8490

J/mol·K

Ω Parameter

0.7671

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.252%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4145

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.016

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9413

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnzy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296174

Reference Citation

The crystal structure and related material properties of Y7Ho13(Bi2P)4 were obtained from the Materials Project database (MP-ID: mp-3296174, 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_Y7Ho13(Bi2P)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98934141
_cell_length_b   8.89017725
_cell_length_c   12.12684945
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99921438
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y7Ho13(Bi2P)4
_chemical_formula_sum   'Y7 Ho13 Bi8 P4'
_cell_volume   861.32962777
_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
  Y  Y0  1  0.85601833  0.75000000  0.79800116  1.0
  Y  Y1  1  0.14477435  0.25000000  0.20290942  1.0
  Y  Y2  1  0.35536903  0.25000000  0.70307945  1.0
  Y  Y3  1  0.64476586  0.75000000  0.29666524  1.0
  Y  Y4  1  0.37551588  0.75000000  0.70189814  1.0
  Y  Y5  1  0.62458528  0.25000000  0.29788568  1.0
  Y  Y6  1  0.87549948  0.25000000  0.79826523  1.0
  Ho  Ho7  1  0.12474496  0.75000000  0.20168132  1.0
  Ho  Ho8  1  0.96304280  0.75000000  0.50048112  1.0
  Ho  Ho9  1  0.03687504  0.25000000  0.49906977  1.0
  Ho  Ho10  1  0.46275395  0.25000000  0.99947329  1.0
  Ho  Ho11  1  0.53661819  0.75000000  0.00069946  1.0
  Ho  Ho12  1  0.68185377  0.04997826  0.56287345  1.0
  Ho  Ho13  1  0.31791598  0.94978206  0.43662327  1.0
  Ho  Ho14  1  0.18206079  0.94984120  0.93741306  1.0
  Ho  Ho15  1  0.31791598  0.55021794  0.43662327  1.0
  Ho  Ho16  1  0.81805207  0.04991750  0.06294109  1.0
  Ho  Ho17  1  0.68185377  0.45002174  0.56287345  1.0
  Ho  Ho18  1  0.81805207  0.45008250  0.06294109  1.0
  Ho  Ho19  1  0.18206079  0.55015880  0.93741306  1.0
  Bi  Bi20  1  0.57854963  0.49080773  0.82830032  1.0
  Bi  Bi21  1  0.42048195  0.50979646  0.17185941  1.0
  Bi  Bi22  1  0.07843396  0.50930732  0.67185869  1.0
  Bi  Bi23  1  0.42048195  0.99020354  0.17185941  1.0
  Bi  Bi24  1  0.92215658  0.49133187  0.32753380  1.0
  Bi  Bi25  1  0.57854963  0.00919227  0.82830032  1.0
  Bi  Bi26  1  0.92215658  0.00866813  0.32753380  1.0
  Bi  Bi27  1  0.07843396  0.99069268  0.67185869  1.0
  P  P28  1  0.57154950  0.75000000  0.51436510  1.0
  P  P29  1  0.42799892  0.25000000  0.48525766  1.0
  P  P30  1  0.07174631  0.25000000  0.98544721  1.0
  P  P31  1  0.92913364  0.75000000  0.01601455  1.0

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