EuZn(BO2)5

高熵材料 HEA

MP-ID: mp-1019730 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

EuZn(BO2)5

MP-ID

mp-1019730

Elements

Sites

Density

4.4748

g/cm³

Volume

640.37

Å³

Cell a

7.6739

Cell b

8.7830

Cell c

12.6545

α Angle

48.66

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
13.43	6.5944	43.5	(0,1,0)
14.04	6.3072	100.0	(0,1,2)
14.84	5.9699	5.3	(1,0,1)
15.34	5.7763	40.1	(1,1,1)
17.73	5.0014	1.1	(1,1,0)
18.21	4.8726	3.6	(1,1,2)
18.68	4.7506	61.9	(0,0,2)
20.24	4.3871	21.0	(0,2,2)
22.01	4.0393	4.7	(1,0,2)
23.18	3.8369	7.0	(2,0,0)
23.36	3.8086	99.3	(1,2,2)
23.90	3.7232	2.9	(1,1,-1)
24.61	3.6173	4.5	(1,1,3)
25.03	3.5578	18.9	(2,0,1)
25.33	3.5155	50.9	(2,1,1)
25.53	3.4888	4.0	(1,2,3)
26.88	3.3164	70.2	(2,1,0)
27.04	3.2972	60.7	(0,2,0)
27.20	3.2780	41.7	(2,1,2)
29.49	3.0294	9.0	(1,2,0)
29.56	3.0223	31.3	(0,1,-2)
29.93	2.9849	23.2	(2,0,2)
30.43	2.9374	59.5	(0,1,4)
30.54	2.9275	1.1	(1,0,3)

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Energy Properties

Formation Energy/atom

-2.80163

eV/atom

Energy/atom

-8.35601

eV/atom

Energy above Hull

0.0136

eV/atom

Uncorrected Energy

-7.9519

eV/atom

Volume/atom

9.42

Å³

c/a Ratio

1.6490

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

24.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.037480

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.588

Element Family

Metalloid-Nonmetal

Solute Fraction

0.412

Interstitial Fraction

0.294

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0054

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3588

J/mol·K

Ω Parameter

11.9916

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.894%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7995

smaller = more stable mixing

VEC

4.353

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.578

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7252

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacgchg aaaegfni

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019730

Reference Citation

The crystal structure and related material properties of EuZn(BO2)5 were obtained from the Materials Project database (MP-ID: mp-1019730, 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_EuZn(BO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67388600
_cell_length_b   8.78295500
_cell_length_c   12.65449834
_cell_angle_alpha   48.66108562
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuZn(BO2)5
_chemical_formula_sum   'Eu4 Zn4 B20 O40'
_cell_volume   640.37486610
_cell_formula_units_Z   4
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  0.68350700  0.04952000  0.26116000  1.0
  Eu  Eu1  1  0.81649300  0.04952000  0.76116000  1.0
  Eu  Eu2  1  0.31649300  0.95048000  0.73884000  1.0
  Eu  Eu3  1  0.18350700  0.95048000  0.23884000  1.0
  Zn  Zn4  1  0.58899500  0.51740700  0.87512700  1.0
  Zn  Zn5  1  0.91100500  0.51740700  0.37512700  1.0
  Zn  Zn6  1  0.41100500  0.48259300  0.12487300  1.0
  Zn  Zn7  1  0.08899500  0.48259300  0.62487300  1.0
  B  B8  1  0.82517400  0.90994500  0.10506500  1.0
  B  B9  1  0.67482600  0.90994500  0.60506500  1.0
  B  B10  1  0.17482600  0.09005500  0.89493500  1.0
  B  B11  1  0.32517400  0.09005500  0.39493500  1.0
  B  B12  1  0.60012500  0.84708400  0.99816500  1.0
  B  B13  1  0.89987500  0.84708400  0.49816500  1.0
  B  B14  1  0.39987500  0.15291600  0.00183500  1.0
  B  B15  1  0.10012500  0.15291600  0.50183500  1.0
  B  B16  1  0.57660700  0.65390400  0.25943400  1.0
  B  B17  1  0.92339300  0.65390400  0.75943400  1.0
  B  B18  1  0.42339300  0.34609600  0.74056600  1.0
  B  B19  1  0.07660700  0.34609600  0.24056600  1.0
  B  B20  1  0.31431100  0.51812900  0.41328700  1.0
  B  B21  1  0.18568900  0.51812900  0.91328700  1.0
  B  B22  1  0.68568900  0.48187100  0.58671300  1.0
  B  B23  1  0.81431100  0.48187100  0.08671300  1.0
  B  B24  1  0.53121600  0.27458300  0.44523300  1.0
  B  B25  1  0.96878400  0.27458300  0.94523300  1.0
  B  B26  1  0.46878400  0.72541700  0.55476700  1.0
  B  B27  1  0.03121600  0.72541700  0.05476700  1.0
  O  O28  1  0.89351600  0.08914900  0.08023900  1.0
  O  O29  1  0.60648400  0.08914900  0.58023900  1.0
  O  O30  1  0.10648400  0.91085100  0.91976100  1.0
  O  O31  1  0.39351600  0.91085100  0.41976100  1.0
  O  O32  1  0.97006100  0.76550100  0.14706700  1.0
  O  O33  1  0.52993900  0.76550100  0.64706700  1.0
  O  O34  1  0.02993900  0.23449900  0.85293300  1.0
  O  O35  1  0.47006100  0.23449900  0.35293300  1.0
  O  O36  1  0.72623000  0.97399300  0.98263500  1.0
  O  O37  1  0.77377000  0.97399300  0.48263500  1.0
  O  O38  1  0.27377000  0.02600700  0.01736500  1.0
  O  O39  1  0.22623000  0.02600700  0.51736500  1.0
  O  O40  1  0.54956000  0.88373600  0.88063100  1.0
  O  O41  1  0.95044000  0.88373600  0.38063100  1.0
  O  O42  1  0.45044000  0.11626400  0.11936900  1.0
  O  O43  1  0.04956000  0.11626400  0.61936900  1.0
  O  O44  1  0.53413500  0.68750300  0.12904600  1.0
  O  O45  1  0.96586500  0.68750300  0.62904600  1.0
  O  O46  1  0.46586500  0.31249700  0.87095400  1.0
  O  O47  1  0.03413500  0.31249700  0.37095400  1.0
  O  O48  1  0.71024100  0.79880600  0.23072100  1.0
  O  O49  1  0.78975900  0.79880600  0.73072100  1.0
  O  O50  1  0.28975900  0.20119400  0.76927900  1.0
  O  O51  1  0.21024100  0.20119400  0.26927900  1.0
  O  O52  1  0.41301800  0.68079800  0.30587900  1.0
  O  O53  1  0.08698200  0.68079800  0.80587900  1.0
  O  O54  1  0.58698200  0.31920200  0.69412100  1.0
  O  O55  1  0.91301800  0.31920200  0.19412100  1.0
  O  O56  1  0.15366100  0.56923500  0.43247800  1.0
  O  O57  1  0.34633900  0.56923500  0.93247800  1.0
  O  O58  1  0.84633900  0.43076500  0.56752200  1.0
  O  O59  1  0.65366100  0.43076500  0.06752200  1.0
  O  O60  1  0.37462500  0.32348700  0.49058500  1.0
  O  O61  1  0.12537500  0.32348700  0.99058500  1.0
  O  O62  1  0.62537500  0.67651300  0.50941500  1.0
  O  O63  1  0.87462500  0.67651300  0.00941500  1.0
  O  O64  1  0.64972600  0.44903300  0.36548100  1.0
  O  O65  1  0.85027400  0.44903300  0.86548100  1.0
  O  O66  1  0.35027400  0.55096700  0.63451900  1.0
  O  O67  1  0.14972600  0.55096700  0.13451900  1.0

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