EuC6

传统材料 TRA

MP-ID: mp-1103990 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuC6

MP-ID

mp-1103990

Elements

Sites

Density

4.8153

g/cm³

Volume

154.51

Å³

Cell a

4.3161

Cell b

4.3161

Cell c

9.5774

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

Yes

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
18.53	4.7887	33.0	(0,0,0,2)
23.80	3.7379	19.9	(1,-1,0,0)
23.81	3.7379	39.7	(1,0,-1,0)
25.58	3.4821	50.0	(1,-1,0,1)
25.58	3.4821	100.0	(1,0,-1,1)
25.58	3.4821	100.0	(1,0,-1,-1)
25.58	3.4821	50.0	(1,-1,0,-1)
30.33	2.9465	10.9	(1,-1,0,2)
30.33	2.9465	21.8	(1,0,-1,2)
30.33	2.9465	21.8	(1,0,-1,-2)
30.33	2.9465	10.9	(1,-1,0,-2)
37.03	2.4276	19.2	(1,-1,0,3)
37.03	2.4276	38.4	(1,0,-1,3)
37.03	2.4276	38.4	(1,0,-1,-3)
37.03	2.4275	19.2	(1,-1,0,-3)
37.56	2.3944	48.5	(0,0,0,4)
41.86	2.1581	11.9	(1,-2,1,0)
41.86	2.1581	11.9	(2,-1,-1,0)
41.86	2.1581	11.9	(1,1,-2,0)
44.96	2.0162	3.7	(1,-1,0,4)
44.96	2.0162	3.7	(0,1,-1,-4)
44.96	2.0162	3.7	(1,0,-1,4)
44.96	2.0162	7.4	(1,0,-1,-4)
44.96	2.0162	3.7	(1,-1,0,-4)

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Energy Properties

Formation Energy/atom

-0.11256

eV/atom

Energy/atom

-14.14174

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.1417

eV/atom

Volume/atom

11.04

Å³

c/a Ratio

2.2190

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.2261

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.092070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.857

Element Family

N/A

Solute Fraction

0.143

Interstitial Fraction

0.857

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

C · 0.857

Related Tasks

Related computation task IDs (5)

aaadnepq aaadspph aaaekxbj aaaerhqh aaafieja

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1103990

Reference Citation

The crystal structure and related material properties of EuC6 were obtained from the Materials Project database (MP-ID: mp-1103990, 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_EuC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31610977
_cell_length_b   4.31611000
_cell_length_c   9.57739145
_cell_angle_alpha   90.00089350
_cell_angle_beta   89.99910714
_cell_angle_gamma   120.00008582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuC6
_chemical_formula_sum   'Eu2 C12'
_cell_volume   154.51209502
_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
  Eu  Eu0  1  0.66666421  0.33333581  0.74999993  1.0
  Eu  Eu1  1  0.33333630  0.66666376  0.24999968  1.0
  C  C2  1  0.66657355  0.00000199  0.49997568  1.0
  C  C3  1  0.33343037  0.33342978  0.49997626  1.0
  C  C4  1  0.00000097  0.66657328  0.49997681  1.0
  C  C5  1  0.33342670  -0.00000094  0.49997680  1.0
  C  C6  1  -0.00000198  0.33342636  0.49997558  1.0
  C  C7  1  0.66657019  0.66656966  0.49997627  1.0
  C  C8  1  0.33342675  -0.00000018  0.00002434  1.0
  C  C9  1  0.66657066  0.66657026  0.00002344  1.0
  C  C10  1  -0.00000206  0.33342668  0.00002277  1.0
  C  C11  1  0.66657355  0.00000210  0.00002265  1.0
  C  C12  1  0.00000033  0.66657317  0.00002434  1.0
  C  C13  1  0.33342946  0.33342927  0.00002345  1.0

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