EuAs3

Traditional Materials TRA

MP-ID: mp-1078702 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

EuAs3

MP-ID

mp-1078702

Elements

Sites

Density

6.4105

g/cm³

Volume

195.17

Å³

Cell a

5.8837

Cell b

6.0045

Cell c

6.0722

α Angle

79.23

β Angle

71.07

γ Angle

75.54

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

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
15.53	5.7052	1.7	(0,0,1)
16.27	5.4490	1.7	(1,0,0)
18.95	4.6823	2.9	(1,0,1)
20.00	4.4398	4.5	(1,1,0)
20.58	4.3157	1.2	(0,1,1)
20.96	4.2390	1.3	(1,1,1)
23.15	3.8429	10.6	(0,1,-1)
24.64	3.6134	34.0	(1,-1,0)
25.70	3.4670	25.1	(1,0,-1)
27.57	3.2353	18.6	(1,-1,1)
29.25	3.0535	10.0	(1,1,-1)
30.84	2.8990	100.0	(1,0,2)
30.86	2.8977	3.3	(1,-1,-1)
31.24	2.8628	5.7	(1,1,2)
31.36	2.8526	3.6	(0,0,2)
31.63	2.8288	40.8	(2,1,1)
31.99	2.7979	76.7	(1,2,0)
32.00	2.7966	3.6	(2,0,1)
32.87	2.7245	52.6	(2,0,0)
33.11	2.7055	54.3	(0,2,1)
33.39	2.6838	12.8	(2,1,0)
33.39	2.6837	34.5	(0,1,2)
36.46	2.4643	3.9	(0,2,-1)
37.35	2.4074	4.2	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.61144

eV/atom

Energy/atom

-6.68606

eV/atom

Energy above Hull

0.0080

eV/atom

Uncorrected Energy

-6.6861

eV/atom

Volume/atom

24.40

Å³

c/a Ratio

1.0320

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.9716

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.071590

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

As · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.636

Family

Binary Alloy

Matrix Element

As · 0.750

Related Tasks

Related computation task IDs (5)

aaadnejo aaaeubsf aaaezvcy aaaezzbl aaafiwdq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078702

Reference Citation

The crystal structure and related material properties of EuAs3 were obtained from the Materials Project database (MP-ID: mp-1078702, 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_EuAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88373100
_cell_length_b   6.00445672
_cell_length_c   6.07218136
_cell_angle_alpha   79.23233512
_cell_angle_beta   71.06571066
_cell_angle_gamma   75.54119388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuAs3
_chemical_formula_sum   'Eu2 As6'
_cell_volume   195.17195718
_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  0.66005600  0.67811000  0.64810700  1.0
  Eu  Eu1  1  0.33994400  0.32189000  0.35189300  1.0
  As  As2  1  0.77756000  0.00445500  0.02090100  1.0
  As  As3  1  0.22244000  0.99554500  0.97909900  1.0
  As  As4  1  0.18842800  0.85773500  0.40385800  1.0
  As  As5  1  0.81157200  0.14226500  0.59614200  1.0
  As  As6  1  0.78536600  0.58150600  0.11849000  1.0
  As  As7  1  0.21463400  0.41849400  0.88151000  1.0

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