Ac3Eu

传统材料 TRA

MP-ID: mp-1183271 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ac3Eu

MP-ID

mp-1183271

Elements

Sites

Density

7.4267

g/cm³

Volume

372.49

Å³

Cell a

8.0695

Cell b

8.0694

Cell c

6.6054

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
18.48	4.8004	2.2	(1,0,-1,1)
18.48	4.8004	2.2	(1,-1,0,1)
18.48	4.8004	2.2	(0,1,-1,1)
25.49	3.4942	22.8	(2,0,-2,0)
25.49	3.4942	22.8	(2,-2,0,0)
25.49	3.4942	22.8	(0,2,-2,0)
27.00	3.3027	79.1	(0,0,0,2)
28.91	3.0887	100.0	(2,0,-2,1)
28.91	3.0886	100.0	(2,-2,0,1)
28.91	3.0886	100.0	(0,2,-2,1)
37.47	2.4002	16.9	(2,0,-2,2)
37.47	2.4002	16.9	(2,-2,0,2)
37.47	2.4002	16.9	(0,2,-2,2)
44.93	2.0174	20.5	(4,-2,-2,0)
44.93	2.0174	20.5	(2,2,-4,0)
44.93	2.0174	20.5	(2,-4,2,0)
48.89	1.8628	24.2	(2,0,-2,3)
48.89	1.8628	24.2	(2,-2,0,3)
48.89	1.8628	24.2	(0,2,-2,3)
52.37	1.7471	3.3	(4,0,-4,0)
52.37	1.7471	3.3	(4,-4,0,0)
52.37	1.7471	3.3	(0,4,-4,0)
53.20	1.7216	25.2	(4,-2,-2,2)
53.20	1.7216	25.2	(2,2,-4,2)

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Energy Properties

Formation Energy/atom

0.01520

eV/atom

Energy/atom

-61.09313

eV/atom

Energy above Hull

0.0152

eV/atom

Uncorrected Energy

-61.0931

eV/atom

Volume/atom

46.56

Å³

c/a Ratio

0.8186

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

18.7282

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.050280

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ac · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.631

Family

Binary Alloy

Matrix Element

Ac · 0.750

Related Tasks

Related computation task IDs (2)

aaaduyny aaaelkyx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183271

Reference Citation

The crystal structure and related material properties of Ac3Eu were obtained from the Materials Project database (MP-ID: mp-1183271, 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

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Raw CIF Data

# generated using pymatgen
data_Ac3Eu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06944849
_cell_length_b   8.06941030
_cell_length_c   6.60535341
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Eu
_chemical_formula_sum   'Ac6 Eu2'
_cell_volume   372.48800859
_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
  Ac  Ac0  1  0.16763470  0.33527520  0.25000000  1.0
  Ac  Ac1  1  0.66471950  0.83235484  0.25000000  1.0
  Ac  Ac2  1  0.16763901  0.83235862  0.25000000  1.0
  Ac  Ac3  1  0.83235564  0.66471837  0.75000000  1.0
  Ac  Ac4  1  0.33528168  0.16763785  0.75000000  1.0
  Ac  Ac5  1  0.83236127  0.16764915  0.75000000  1.0
  Eu  Eu6  1  0.33334256  0.66668069  0.75000000  1.0
  Eu  Eu7  1  0.66666566  0.33332629  0.25000000  1.0

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