La3Yb3(HoSn2)4

高熵材料 HEA

MP-ID: mp-3293617 · Space group: P2_1 (#4)

Materials Project API

Basic Information

Formula

La3Yb3(HoSn2)4

MP-ID

mp-3293617

Elements

Sites

Density

7.9804

g/cm³

Volume

1,059.21

Å³

Cell a

7.9704

Cell b

8.3932

Cell c

15.8337

α Angle

90.27

β Angle

90.00

γ Angle

90.00

Space Group

P2_1

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
11.18	7.9168	8.8	(0,0,2)
11.91	7.4300	3.4	(0,1,-1)
11.96	7.4013	2.8	(0,1,1)
15.33	5.7796	8.6	(1,1,0)
18.98	4.6752	1.6	(1,1,-2)
22.31	3.9852	2.1	(2,0,0)
23.96	3.7133	1.6	(1,2,0)
24.60	3.6185	3.4	(1,2,-1)
24.65	3.6119	1.5	(1,2,1)
24.73	3.6000	4.7	(2,1,0)
25.02	3.5596	1.7	(2,0,2)
25.36	3.5119	3.4	(2,1,-1)
25.38	3.5089	3.9	(2,1,1)
27.27	3.2708	2.9	(1,1,-4)
27.35	3.2610	2.0	(1,1,4)
28.06	3.1804	13.5	(2,0,3)
29.35	3.0429	62.4	(1,2,-3)
29.47	3.0311	64.0	(1,2,3)
30.02	2.9768	68.3	(2,1,-3)
30.08	2.9713	66.7	(2,1,3)
30.12	2.9674	4.3	(0,1,-5)
30.21	2.9583	4.1	(0,1,5)
30.94	2.8898	20.1	(2,2,0)
30.98	2.8863	37.1	(0,2,-4)

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Energy Properties

Formation Energy/atom

-0.87603

eV/atom

Energy/atom

-30.22699

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2270

eV/atom

Volume/atom

29.42

Å³

c/a Ratio

1.9866

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3401

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001270

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2919

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.7409

J/mol·K

Ω Parameter

1.1894

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.780%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4043

smaller = more stable mixing

VEC

7.056

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.954

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9319

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkfp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293617

Reference Citation

The crystal structure and related material properties of La3Yb3(HoSn2)4 were obtained from the Materials Project database (MP-ID: mp-3293617, 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_La3Yb3(HoSn2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97039231
_cell_length_b   8.39314715
_cell_length_c   15.83368804
_cell_angle_alpha   90.26768250
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Yb3(HoSn2)4
_chemical_formula_sum   'La6 Yb6 Ho8 Sn16'
_cell_volume   1059.20953071
_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
  La  La0  1  0.50423141  0.67986000  0.59336891  1.0
  La  La1  1  0.00423141  0.82014000  0.90663109  1.0
  La  La2  1  0.49594665  0.31930769  0.09605816  1.0
  La  La3  1  0.99594665  0.18069231  0.40394184  1.0
  La  La4  1  0.49488205  0.32140850  0.40459687  1.0
  La  La5  1  0.99488205  0.17859150  0.09540313  1.0
  Yb  Yb6  1  0.50407572  0.68608527  0.90466839  1.0
  Yb  Yb7  1  0.00407572  0.81391473  0.59533161  1.0
  Yb  Yb8  1  0.83094950  0.50641941  0.75045723  1.0
  Yb  Yb9  1  0.33094950  0.99358059  0.74954277  1.0
  Yb  Yb10  1  0.16952087  0.49685381  0.25031715  1.0
  Yb  Yb11  1  0.66952087  0.00314619  0.24968285  1.0
  Ho  Ho12  1  0.66659323  0.16933962  0.62418150  1.0
  Ho  Ho13  1  0.16659323  0.33066038  0.87581850  1.0
  Ho  Ho14  1  0.33511766  0.82893891  0.12307222  1.0
  Ho  Ho15  1  0.83511766  0.67106109  0.37692778  1.0
  Ho  Ho16  1  0.33330557  0.82865691  0.37578862  1.0
  Ho  Ho17  1  0.83330557  0.67134309  0.12421138  1.0
  Ho  Ho18  1  0.66647297  0.16850775  0.87573530  1.0
  Ho  Ho19  1  0.16647297  0.33149225  0.62426470  1.0
  Sn  Sn20  1  0.67033033  0.96302986  0.46096674  1.0
  Sn  Sn21  1  0.17033033  0.53697014  0.03903326  1.0
  Sn  Sn22  1  0.32521699  0.04098765  0.96140542  1.0
  Sn  Sn23  1  0.82521699  0.45901235  0.53859458  1.0
  Sn  Sn24  1  0.32494125  0.03548775  0.53981451  1.0
  Sn  Sn25  1  0.82494125  0.46451225  0.96018549  1.0
  Sn  Sn26  1  0.67254694  0.95973933  0.03904541  1.0
  Sn  Sn27  1  0.17254694  0.54026067  0.46095459  1.0
  Sn  Sn28  1  0.46585057  0.37925491  0.75110757  1.0
  Sn  Sn29  1  0.96585057  0.12074509  0.74889243  1.0
  Sn  Sn30  1  0.53555522  0.62326798  0.24887185  1.0
  Sn  Sn31  1  0.03555522  0.87673202  0.25112815  1.0
  Sn  Sn32  1  0.70935386  0.87036401  0.75023269  1.0
  Sn  Sn33  1  0.20935386  0.62963599  0.74976731  1.0
  Sn  Sn34  1  0.29510921  0.13095127  0.24945285  1.0
  Sn  Sn35  1  0.79510921  0.36904873  0.25054715  1.0

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