Pr6O11

传统材料 TRA

MP-ID: mp-8825 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Pr6O11

MP-ID

mp-8825

Elements

Sites

Density

6.0723

g/cm³

Volume

1,117.30

Å³

Cell a

6.9169

Cell b

12.2643

Cell c

13.4535

α Angle

89.10

β Angle

78.28

γ Angle

89.57

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
15.36	5.7671	2.3	(0,1,-2)
18.17	4.8834	1.6	(1,1,2)
19.89	4.4637	2.1	(1,-2,1)
27.01	3.3013	100.0	(1,-3,-1)
27.05	3.2960	98.0	(2,0,2)
27.07	3.2935	98.5	(1,3,-1)
27.08	3.2929	97.9	(0,0,4)
30.70	2.9120	43.1	(1,3,3)
31.22	2.8652	39.0	(1,-3,3)
32.08	2.7898	38.2	(2,0,-2)
32.35	2.7675	1.6	(1,-4,1)
33.14	2.7032	1.2	(2,2,3)
34.81	2.5769	1.7	(2,-1,4)
37.26	2.4130	1.7	(1,-2,5)
39.39	2.2875	1.1	(0,5,-2)
40.26	2.2401	1.2	(3,-1,2)
41.69	2.1664	1.2	(0,1,6)
44.32	2.0438	35.1	(0,6,0)
44.39	2.0409	33.2	(2,0,6)
44.98	2.0156	33.4	(1,-3,-5)
45.02	2.0135	33.0	(3,3,1)
45.31	2.0013	31.3	(3,-3,1)
45.43	1.9964	30.8	(1,3,-5)
45.69	1.9859	1.3	(1,-4,5)

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Energy Properties

Formation Energy/atom

-3.22640

eV/atom

Energy/atom

-8.12054

eV/atom

Energy above Hull

0.0641

eV/atom

Uncorrected Energy

-7.6760

eV/atom

Volume/atom

16.43

Å³

c/a Ratio

1.9450

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

16.0036

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.647

Element Family

N/A

Solute Fraction

0.353

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.569

Family

Binary Alloy

Matrix Element

O · 0.647

Related Tasks

Related computation task IDs (1)

aaaebcyv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8825

Reference Citation

The crystal structure and related material properties of Pr6O11 were obtained from the Materials Project database (MP-ID: mp-8825, 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_Pr6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91687300
_cell_length_b   12.26425233
_cell_length_c   13.45349030
_cell_angle_alpha   89.09660662
_cell_angle_beta   78.27549531
_cell_angle_gamma   89.56569399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6O11
_chemical_formula_sum   'Pr24 O44'
_cell_volume   1117.30190474
_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
  Pr  Pr0  1  0.49139400  0.42151100  0.25118600  1.0
  Pr  Pr1  1  0.50860600  0.57848900  0.74881400  1.0
  Pr  Pr2  1  0.75010400  0.40507400  0.50465000  1.0
  Pr  Pr3  1  0.24989600  0.59492600  0.49535000  1.0
  Pr  Pr4  1  0.24712000  0.23693500  0.50571500  1.0
  Pr  Pr5  1  0.75288000  0.76306500  0.49428500  1.0
  Pr  Pr6  1  0.26340300  0.41621500  0.00252500  1.0
  Pr  Pr7  1  0.73659700  0.58378500  0.99747500  1.0
  Pr  Pr8  1  0.24237300  0.07973300  0.99775000  1.0
  Pr  Pr9  1  0.75762700  0.92026700  0.00225000  1.0
  Pr  Pr10  1  0.00849200  0.73095500  0.74976200  1.0
  Pr  Pr11  1  0.99150800  0.26904500  0.25023800  1.0
  Pr  Pr12  1  0.25684900  0.91900100  0.47784100  1.0
  Pr  Pr13  1  0.74315100  0.08099900  0.52215900  1.0
  Pr  Pr14  1  0.54370200  0.91146000  0.75562400  1.0
  Pr  Pr15  1  0.45629800  0.08854000  0.24437600  1.0
  Pr  Pr16  1  0.74468900  0.24731500  0.02053200  1.0
  Pr  Pr17  1  0.25531100  0.75268500  0.97946800  1.0
  Pr  Pr18  1  0.46614700  0.24533700  0.74855100  1.0
  Pr  Pr19  1  0.53385300  0.75466300  0.25144900  1.0
  Pr  Pr20  1  0.01607400  0.42631800  0.73889700  1.0
  Pr  Pr21  1  0.98392600  0.57368200  0.26110300  1.0
  Pr  Pr22  1  0.00530100  0.07732100  0.75357500  1.0
  Pr  Pr23  1  0.99469900  0.92267900  0.24642500  1.0
  O  O24  1  0.07782800  0.06478100  0.57263000  1.0
  O  O25  1  0.92217200  0.93521900  0.42737000  1.0
  O  O26  1  0.47162700  0.07757900  0.42258000  1.0
  O  O27  1  0.52837300  0.92242100  0.57742000  1.0
  O  O28  1  0.06728600  0.76875700  0.56719600  1.0
  O  O29  1  0.93271400  0.23124300  0.43280400  1.0
  O  O30  1  0.70607100  0.74479100  0.67879200  1.0
  O  O31  1  0.29392900  0.25520900  0.32120800  1.0
  O  O32  1  0.85999500  0.90492900  0.80709900  1.0
  O  O33  1  0.14000500  0.09507100  0.19290100  1.0
  O  O34  1  0.31052300  0.06213400  0.80750300  1.0
  O  O35  1  0.68947700  0.93786600  0.19249700  1.0
  O  O36  1  0.55076300  0.24488500  0.56594200  1.0
  O  O37  1  0.44923700  0.75511500  0.43405800  1.0
  O  O38  1  0.69536600  0.09307900  0.70583900  1.0
  O  O39  1  0.30463400  0.90692100  0.29416100  1.0
  O  O40  1  0.57002800  0.41602100  0.06410200  1.0
  O  O41  1  0.67673900  0.24196400  0.20136100  1.0
  O  O42  1  0.45565500  0.91361200  0.93763100  1.0
  O  O43  1  0.54434500  0.08638800  0.06236900  1.0
  O  O44  1  0.07146400  0.25165200  0.06275700  1.0
  O  O45  1  0.92853600  0.74834800  0.93724300  1.0
  O  O46  1  0.92791400  0.09211900  0.93506500  1.0
  O  O47  1  0.07208600  0.90788100  0.06493500  1.0
  O  O48  1  0.84926700  0.75281100  0.29991200  1.0
  O  O49  1  0.15073300  0.24718900  0.70008800  1.0
  O  O50  1  0.58430300  0.57925000  0.55529900  1.0
  O  O51  1  0.41569700  0.42075000  0.44470100  1.0
  O  O52  1  0.69289100  0.58514700  0.18282400  1.0
  O  O53  1  0.30710900  0.41485300  0.81717600  1.0
  O  O54  1  0.05444200  0.59755300  0.06975700  1.0
  O  O55  1  0.94555800  0.40244700  0.93024300  1.0
  O  O56  1  0.92085700  0.58869000  0.44970900  1.0
  O  O57  1  0.07914300  0.41131000  0.55029100  1.0
  O  O58  1  0.79021400  0.42150600  0.32328800  1.0
  O  O59  1  0.20978600  0.57849400  0.67671200  1.0
  O  O60  1  0.30715600  0.60038600  0.30349400  1.0
  O  O61  1  0.69284400  0.39961400  0.69650600  1.0
  O  O62  1  0.18239900  0.42203400  0.18800200  1.0
  O  O63  1  0.81760100  0.57796600  0.81199800  1.0
  O  O64  1  0.53135900  0.75619200  0.07096100  1.0
  O  O65  1  0.46864100  0.24380800  0.92903900  1.0
  O  O66  1  0.42997200  0.58397900  0.93589800  1.0
  O  O67  1  0.32326100  0.75803600  0.79863900  1.0

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