Eu(NO3)3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1019733 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Eu(NO3)3

MP-ID

mp-1019733

Elements

Sites

Density

3.2372

g/cm³

Volume

693.46

Å³

Cell a

6.3079

Cell b

9.9373

Cell c

11.0776

α Angle

87.05

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
16.02	5.5314	56.7	(0,0,2)
16.18	5.4797	100.0	(1,0,1)
17.88	4.9621	51.3	(0,2,0)
18.29	4.8497	6.2	(1,1,1)
18.70	4.7461	20.4	(1,1,-1)
19.22	4.6171	4.0	(0,2,1)
19.98	4.4429	19.6	(0,2,-1)
22.80	3.9000	5.1	(1,2,0)
23.46	3.7920	21.4	(0,2,2)
23.51	3.7839	1.5	(1,1,-2)
23.88	3.7257	25.5	(1,2,1)
24.13	3.6876	1.6	(0,0,3)
24.51	3.6324	3.2	(1,2,-1)
24.71	3.6026	16.0	(0,2,-2)
27.44	3.2499	2.2	(1,2,2)
28.03	3.1835	6.6	(1,0,3)
28.30	3.1540	18.5	(2,0,0)
28.53	3.1284	6.8	(1,2,-2)
29.07	3.0713	6.5	(1,1,3)
29.42	3.0355	7.2	(0,2,3)
29.45	3.0331	1.6	(2,0,1)
29.72	3.0058	5.5	(2,1,0)
29.85	2.9929	1.6	(1,1,-3)
30.70	2.9122	5.0	(2,1,1)

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Energy Properties

Formation Energy/atom

-1.32159

eV/atom

Energy/atom

-7.46271

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.0706

eV/atom

Volume/atom

13.34

Å³

c/a Ratio

1.7561

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

24.0313

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.034650

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.692

Element Family

Metalloid-Nonmetal

Solute Fraction

0.308

Interstitial Fraction

0.231

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7903

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.5703

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

45.030%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5940

smaller = more stable mixing

VEC

4.462

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7193

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacgbqo aaagjrgz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019733

Reference Citation

The crystal structure and related material properties of Eu(NO3)3 were obtained from the Materials Project database (MP-ID: mp-1019733, 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_Eu(NO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30790555
_cell_length_b   9.93733702
_cell_length_c   11.07755411
_cell_angle_alpha   87.04920438
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(NO3)3
_chemical_formula_sum   'Eu4 N12 O36'
_cell_volume   693.46232725
_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  0.68444730  0.28694700  0.74159042  1.0
  Eu  Eu1  1  0.18444730  0.21305300  0.25840958  1.0
  Eu  Eu2  1  0.31555270  0.71305300  0.25840958  1.0
  Eu  Eu3  1  0.81555270  0.78694700  0.74159042  1.0
  N  N4  1  0.38594802  0.17127607  0.49323494  1.0
  N  N5  1  0.88594802  0.32872393  0.50676506  1.0
  N  N6  1  0.61405198  0.82872393  0.50676506  1.0
  N  N7  1  0.11405198  0.67127607  0.49323494  1.0
  N  N8  1  0.73284626  0.19387092  0.20989311  1.0
  N  N9  1  0.23284626  0.30612908  0.79010689  1.0
  N  N10  1  0.26715374  0.80612908  0.79010689  1.0
  N  N11  1  0.76715374  0.69387092  0.20989311  1.0
  N  N12  1  0.71455972  0.53214491  0.88214782  1.0
  N  N13  1  0.21455972  0.96785509  0.11785218  1.0
  N  N14  1  0.28544028  0.46785509  0.11785218  1.0
  N  N15  1  0.78544028  0.03214491  0.88214782  1.0
  O  O16  1  0.42730891  0.27398203  0.42431234  1.0
  O  O17  1  0.92730891  0.22601797  0.57568766  1.0
  O  O18  1  0.57269109  0.72601797  0.57568766  1.0
  O  O19  1  0.07269109  0.77398203  0.42431234  1.0
  O  O20  1  0.26076834  0.08504315  0.45360138  1.0
  O  O21  1  0.76076834  0.41495685  0.54639862  1.0
  O  O22  1  0.73923166  0.91495685  0.54639862  1.0
  O  O23  1  0.23923166  0.58504315  0.45360138  1.0
  O  O24  1  0.46473946  0.15609892  0.59546045  1.0
  O  O25  1  0.96473946  0.34390108  0.40453955  1.0
  O  O26  1  0.53526054  0.84390108  0.40453955  1.0
  O  O27  1  0.03526054  0.65609892  0.59546045  1.0
  O  O28  1  0.82350386  0.10533512  0.27762793  1.0
  O  O29  1  0.32350386  0.39466488  0.72237207  1.0
  O  O30  1  0.17649614  0.89466488  0.72237207  1.0
  O  O31  1  0.67649614  0.60533512  0.27762793  1.0
  O  O32  1  0.53928579  0.18524994  0.18696429  1.0
  O  O33  1  0.03928579  0.31475006  0.81303571  1.0
  O  O34  1  0.46071421  0.81475006  0.81303571  1.0
  O  O35  1  0.96071421  0.68524994  0.18696429  1.0
  O  O36  1  0.84074241  0.28998984  0.16439949  1.0
  O  O37  1  0.34074241  0.21001016  0.83560051  1.0
  O  O38  1  0.15925759  0.71001016  0.83560051  1.0
  O  O39  1  0.65925759  0.78998984  0.16439949  1.0
  O  O40  1  0.73004713  0.53972407  0.76533299  1.0
  O  O41  1  0.23004713  0.96027593  0.23466701  1.0
  O  O42  1  0.26995287  0.46027593  0.23466701  1.0
  O  O43  1  0.76995287  0.03972407  0.76533299  1.0
  O  O44  1  0.66095646  0.42237904  0.93170603  1.0
  O  O45  1  0.16095646  0.07762096  0.06829397  1.0
  O  O46  1  0.33904354  0.57762096  0.06829397  1.0
  O  O47  1  0.83904354  0.92237904  0.93170603  1.0
  O  O48  1  0.75544106  0.63468725  0.93704454  1.0
  O  O49  1  0.25544106  0.86531275  0.06295546  1.0
  O  O50  1  0.24455894  0.36531275  0.06295546  1.0
  O  O51  1  0.74455894  0.13468725  0.93704454  1.0

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