Pr(Zn2Pt)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295402 · Space group: P4_2/mnm (#136)

Materials Project API

Basic Information

Formula

Pr(Zn2Pt)2

MP-ID

mp-3295402

Elements

Sites

Density

10.7646

g/cm³

Volume

244.57

Å³

Cell a

7.6401

Cell b

7.6401

Cell c

4.1899

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/mnm

Point Group

4/mmm

Crystal System

Tetragonal

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
23.29	3.8200	24.2	(2,0,0)
24.23	3.6737	1.0	(1,0,1)
26.08	3.4167	12.9	(2,1,0)
26.93	3.3108	50.4	(1,1,1)
33.17	2.7012	48.0	(2,2,0)
33.85	2.6479	79.2	(2,1,1)
37.22	2.4160	19.5	(3,1,0)
39.70	2.2703	30.5	(2,2,1)
41.49	2.1762	17.6	(3,0,1)
43.18	2.0950	41.3	(0,0,2)
43.23	2.0930	100.0	(3,1,1)
47.61	1.9100	3.6	(4,0,0)
48.12	1.8909	5.5	(3,2,1)
49.17	1.8530	28.0	(4,1,0)
49.63	1.8369	6.7	(2,0,2)
50.69	1.8008	3.9	(3,3,0)
51.15	1.7860	4.3	(2,1,2)
53.65	1.7084	1.9	(4,2,0)
54.12	1.6947	4.1	(4,1,1)
55.51	1.6554	22.6	(2,2,2)
55.55	1.6544	3.7	(3,3,1)
58.30	1.5828	10.2	(3,1,2)
58.33	1.5819	1.7	(4,2,1)
60.60	1.5280	1.3	(4,3,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.71055

eV/atom

Energy/atom

-24.71367

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.7137

eV/atom

Volume/atom

17.47

Å³

c/a Ratio

0.5484

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

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

Zn · 0.571

Element Family

3d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.6089

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.193%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3753

smaller = more stable mixing

VEC

10.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.026

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmwg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295402

Reference Citation

The crystal structure and related material properties of Pr(Zn2Pt)2 were obtained from the Materials Project database (MP-ID: mp-3295402, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Pr(Zn2Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64005067
_cell_length_b   7.64005067
_cell_length_c   4.18989007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(Zn2Pt)2
_chemical_formula_sum   'Pr2 Zn8 Pt4'
_cell_volume   244.56545131
_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
  Pr  Pr0  1  0.50000000  0.50000000  0.50000000  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn2  1  0.34997459  0.09248292  0.50000000  1.0
  Zn  Zn3  1  0.65002541  0.90751708  0.50000000  1.0
  Zn  Zn4  1  0.84997459  0.40751708  0.00000000  1.0
  Zn  Zn5  1  0.15002541  0.59248292  0.00000000  1.0
  Zn  Zn6  1  0.09248292  0.34997459  0.50000000  1.0
  Zn  Zn7  1  0.90751708  0.65002541  0.50000000  1.0
  Zn  Zn8  1  0.40751708  0.84997459  0.00000000  1.0
  Zn  Zn9  1  0.59248292  0.15002541  0.00000000  1.0
  Pt  Pt10  1  0.78229763  0.21770237  0.50000000  1.0
  Pt  Pt11  1  0.21770237  0.78229763  0.50000000  1.0
  Pt  Pt12  1  0.28229763  0.28229763  0.00000000  1.0
  Pt  Pt13  1  0.71770237  0.71770237  0.00000000  1.0

Get direct link