La6Sm2Co7AgO20

High-Entropy Materials HEA

MP-ID: mp-1076492 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La6Sm2Co7AgO20

MP-ID

mp-1076492

Elements

Sites

144

Density

6.6478

g/cm³

Volume

1,972.88

Å³

Cell a

10.7948

Cell b

11.4260

Cell c

17.8212

α Angle

108.63

β Angle

107.70

γ Angle

89.98

Space Group

Point Group

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
5.53	15.9953	2.2	(0,0,1)
11.06	7.9977	17.5	(0,0,2)
22.23	3.9988	18.6	(0,0,4)
22.66	3.9241	24.2	(2,2,-2)
22.67	3.9227	23.6	(2,-2,0)
22.80	3.9006	4.6	(0,2,2)
22.83	3.8953	5.2	(0,2,-4)
25.27	3.5243	2.8	(2,-2,-2)
25.28	3.5230	2.7	(2,2,0)
25.28	3.5227	3.0	(2,2,-4)
25.31	3.5194	2.9	(2,-2,2)
31.31	2.8565	100.0	(0,4,-2)
31.93	2.8028	80.6	(2,-2,-4)
31.95	2.8009	80.0	(2,2,2)
31.96	2.8007	79.1	(2,2,-6)
31.99	2.7978	79.2	(2,-2,4)
32.05	2.7929	2.9	(0,2,4)
32.09	2.7896	3.6	(0,2,-6)
33.20	2.6987	99.5	(4,0,-2)
33.62	2.6659	8.7	(0,0,6)
36.00	2.4945	1.2	(2,4,-2)
36.01	2.4940	1.4	(2,4,-4)
36.03	2.4928	1.0	(2,-4,2)
38.71	2.3259	11.4	(0,4,2)

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Energy Properties

Formation Energy/atom

-2.58727

eV/atom

Energy/atom

-7.88697

eV/atom

Energy above Hull

0.1013

eV/atom

Uncorrected Energy

-7.1868

eV/atom

Volume/atom

13.70

Å³

c/a Ratio

1.6509

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

80.0046

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.040550

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.556

Element Family

Metalloid-Nonmetal

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2037

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0077

J/mol·K

Ω Parameter

2.0355

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.019%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9967

smaller = more stable mixing

VEC

5.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.354

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7479

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaackpnp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076492

Reference Citation

The crystal structure and related material properties of La6Sm2Co7AgO20 were obtained from the Materials Project database (MP-ID: mp-1076492, 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_La6Sm2Co7AgO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79478899
_cell_length_b   11.42598974
_cell_length_c   17.82118207
_cell_angle_alpha   108.62983984
_cell_angle_beta   107.69976531
_cell_angle_gamma   89.97941502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La6Sm2Co7AgO20
_chemical_formula_sum   'La24 Sm8 Co28 Ag4 O80'
_cell_volume   1972.87874667
_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
  La  La0  1  0.30817194  0.06314683  0.61220730  1.0
  La  La1  1  0.30750168  0.56370332  0.61377343  1.0
  La  La2  1  0.80733492  0.06645687  0.61057027  1.0
  La  La3  1  0.80942899  0.56604014  0.61470740  1.0
  La  La4  1  0.19774675  0.43413819  0.38892654  1.0
  La  La5  1  0.19285436  0.43608062  0.88644534  1.0
  La  La6  1  0.19413424  0.93397584  0.38630559  1.0
  La  La7  1  0.69807136  0.43466044  0.38949914  1.0
  La  La8  1  0.69637531  0.93476986  0.38730801  1.0
  La  La9  1  0.69551703  0.93376198  0.89006271  1.0
  La  La10  1  0.05871734  0.29549090  0.11229285  1.0
  La  La11  1  0.05782383  0.29803429  0.61253332  1.0
  La  La12  1  0.05926253  0.80098519  0.61421266  1.0
  La  La13  1  0.55850750  0.29522577  0.11151453  1.0
  La  La14  1  0.55739924  0.29662794  0.61306390  1.0
  La  La15  1  0.55783502  0.79756260  0.11238334  1.0
  La  La16  1  0.55717923  0.79547359  0.61221145  1.0
  La  La17  1  0.44589921  0.20380640  0.38648683  1.0
  La  La18  1  0.44559921  0.20124590  0.88751831  1.0
  La  La19  1  0.44622645  0.70386337  0.38610948  1.0
  La  La20  1  0.44182953  0.70094486  0.88702676  1.0
  La  La21  1  0.94472943  0.20136555  0.38525975  1.0
  La  La22  1  0.94498398  0.20503729  0.88896103  1.0
  La  La23  1  0.94525570  0.70140222  0.38701055  1.0
  Sm  Sm24  1  0.30157530  0.06641994  0.10821661  1.0
  Sm  Sm25  1  0.30294621  0.56626467  0.10741382  1.0
  Sm  Sm26  1  0.80706958  0.06638876  0.11072980  1.0
  Sm  Sm27  1  0.80619128  0.56431098  0.10839946  1.0
  Sm  Sm28  1  0.19283586  0.93663085  0.89117360  1.0
  Sm  Sm29  1  0.69629515  0.43437227  0.89172414  1.0
  Sm  Sm30  1  0.05627103  0.79160005  0.10907693  1.0
  Sm  Sm31  1  0.94571284  0.70644505  0.89059234  1.0
  Co  Co32  1  0.00633907  0.99922417  0.00147059  1.0
  Co  Co33  1  0.00757575  0.00105372  0.50260685  1.0
  Co  Co34  1  0.00469460  0.50077374  0.99926404  1.0
  Co  Co35  1  0.00375745  0.49833480  0.49563735  1.0
  Co  Co36  1  0.50839661  0.00221413  0.00547967  1.0
  Co  Co37  1  0.50438527  0.99916596  0.49800152  1.0
  Co  Co38  1  0.50893907  0.50202117  0.00452416  1.0
  Co  Co39  1  0.50559693  0.50004584  0.49941397  1.0
  Co  Co40  1  0.25591679  0.25089723  0.00099376  1.0
  Co  Co41  1  0.25444859  0.24699195  0.49581104  1.0
  Co  Co42  1  0.25834907  0.75502375  0.00589326  1.0
  Co  Co43  1  0.25377467  0.74740793  0.49604506  1.0
  Co  Co44  1  0.75719181  0.25171343  0.00258259  1.0
  Co  Co45  1  0.75516063  0.25035781  0.50029208  1.0
  Co  Co46  1  0.75638566  0.74839578  0.99845075  1.0
  Co  Co47  1  0.75545152  0.74999549  0.50040322  1.0
  Co  Co48  1  0.10846765  0.09338344  0.24688603  1.0
  Co  Co49  1  0.10509147  0.09873773  0.75214077  1.0
  Co  Co50  1  0.10664593  0.59483936  0.24709289  1.0
  Co  Co51  1  0.60085893  0.09607085  0.24788127  1.0
  Co  Co52  1  0.61381335  0.09945324  0.75117178  1.0
  Co  Co53  1  0.60696639  0.59419922  0.24788043  1.0
  Co  Co54  1  0.61956795  0.59566970  0.75224916  1.0
  Co  Co55  1  0.35844888  0.40516876  0.24767266  1.0
  Co  Co56  1  0.35850948  0.90622027  0.24716617  1.0
  Co  Co57  1  0.85818568  0.40336370  0.24765981  1.0
  Co  Co58  1  0.85762378  0.40680413  0.75249054  1.0
  Co  Co59  1  0.86519638  0.90523161  0.75181054  1.0
  Ag  Ag60  1  0.11752456  0.62170565  0.75127506  1.0
  Ag  Ag61  1  0.37387917  0.38014705  0.75084208  1.0
  Ag  Ag62  1  0.36591047  0.88122607  0.75102142  1.0
  Ag  Ag63  1  0.86790196  0.88186355  0.24796873  1.0
  O  O64  1  0.12108003  0.11812202  0.48246125  1.0
  O  O65  1  0.12196079  0.11565392  0.98395032  1.0
  O  O66  1  0.11724598  0.61448906  0.47483527  1.0
  O  O67  1  0.11779468  0.62544927  0.98673544  1.0
  O  O68  1  0.62068369  0.11872150  0.48460548  1.0
  O  O69  1  0.62333603  0.12271184  0.98898145  1.0
  O  O70  1  0.62119633  0.61996952  0.48507622  1.0
  O  O71  1  0.62453929  0.61680430  0.98369222  1.0
  O  O72  1  0.13812515  0.38431879  0.01870911  1.0
  O  O73  1  0.13458711  0.37702762  0.50976074  1.0
  O  O74  1  0.13745941  0.88404536  0.02071146  1.0
  O  O75  1  0.13933525  0.88115516  0.51913476  1.0
  O  O76  1  0.64408363  0.38555529  0.02217436  1.0
  O  O77  1  0.63490789  0.38043209  0.51433603  1.0
  O  O78  1  0.64472103  0.88541850  0.02279255  1.0
  O  O79  1  0.63459471  0.87925874  0.51352876  1.0
  O  O80  1  0.37018315  0.11194243  0.47927480  1.0
  O  O81  1  0.36789438  0.11223839  0.98657282  1.0
  O  O82  1  0.37130933  0.61230035  0.47871250  1.0
  O  O83  1  0.37217860  0.61652525  0.99129870  1.0
  O  O84  1  0.87055359  0.11559218  0.48584824  1.0
  O  O85  1  0.87142439  0.11503643  0.98780716  1.0
  O  O86  1  0.86919267  0.61629584  0.48211349  1.0
  O  O87  1  0.86758415  0.60977742  0.97628709  1.0
  O  O88  1  0.38886358  0.38833047  0.02232362  1.0
  O  O89  1  0.38502566  0.38342786  0.51134984  1.0
  O  O90  1  0.38865592  0.89412052  0.02607888  1.0
  O  O91  1  0.38567197  0.88342833  0.51118509  1.0
  O  O92  1  0.88438925  0.38968122  0.01680724  1.0
  O  O93  1  0.88418522  0.38482853  0.51372392  1.0
  O  O94  1  0.88952260  0.88411479  0.01705872  1.0
  O  O95  1  0.88685336  0.88353277  0.51757358  1.0
  O  O96  1  0.09548088  0.10866365  0.13808002  1.0
  O  O97  1  0.08685715  0.10456252  0.63972468  1.0
  O  O98  1  0.09313775  0.60953201  0.13840327  1.0
  O  O99  1  0.08463322  0.60304188  0.62339461  1.0
  O  O100  1  0.59702772  0.10849801  0.14063873  1.0
  O  O101  1  0.59032347  0.10677110  0.63844871  1.0
  O  O102  1  0.59721400  0.60832797  0.14009746  1.0
  O  O103  1  0.59058648  0.60602132  0.63856533  1.0
  O  O104  1  0.44869669  0.39242017  0.35803616  1.0
  O  O105  1  0.46889433  0.39737947  0.87818730  1.0
  O  O106  1  0.44638174  0.89208041  0.35832995  1.0
  O  O107  1  0.46317612  0.89817378  0.87840990  1.0
  O  O108  1  0.94451999  0.39304208  0.35876586  1.0
  O  O109  1  0.94858360  0.39015620  0.86222476  1.0
  O  O110  1  0.95892545  0.89651572  0.37542391  1.0
  O  O111  1  0.95555722  0.88983041  0.86227457  1.0
  O  O112  1  0.33729737  0.27704395  0.13999082  1.0
  O  O113  1  0.33533247  0.27172961  0.62265153  1.0
  O  O114  1  0.33599171  0.77612465  0.14004820  1.0
  O  O115  1  0.33631052  0.77055285  0.62369796  1.0
  O  O116  1  0.83967463  0.27797250  0.13897463  1.0
  O  O117  1  0.83429931  0.28375218  0.64012584  1.0
  O  O118  1  0.84623848  0.76503589  0.12377579  1.0
  O  O119  1  0.83658533  0.78135050  0.63984236  1.0
  O  O120  1  0.20016418  0.21448351  0.35855113  1.0
  O  O121  1  0.19976925  0.21961190  0.86315302  1.0
  O  O122  1  0.19637280  0.71725705  0.35758150  1.0
  O  O123  1  0.21137485  0.73427432  0.87844739  1.0
  O  O124  1  0.69557739  0.21682150  0.35906768  1.0
  O  O125  1  0.70349326  0.22224054  0.86314690  1.0
  O  O126  1  0.69436095  0.71684993  0.35927102  1.0
  O  O127  1  0.70958258  0.72206672  0.86276353  1.0
  O  O128  1  0.40850977  0.07460232  0.24406273  1.0
  O  O129  1  0.42701502  0.09189220  0.75073548  1.0
  O  O130  1  0.41428586  0.56980136  0.24286424  1.0
  O  O131  1  0.43103627  0.59339093  0.75116616  1.0
  O  O132  1  0.92059219  0.09418629  0.24563375  1.0
  O  O133  1  0.91348823  0.07552862  0.75056389  1.0
  O  O134  1  0.91572914  0.56771451  0.24314897  1.0
  O  O135  1  0.88653204  0.57977310  0.75547818  1.0
  O  O136  1  0.16931886  0.42966524  0.24940849  1.0
  O  O137  1  0.13691589  0.40649569  0.74997524  1.0
  O  O138  1  0.16616935  0.92423515  0.24384699  1.0
  O  O139  1  0.14125884  0.93135676  0.75620172  1.0
  O  O140  1  0.66947171  0.42924822  0.25023329  1.0
  O  O141  1  0.66763362  0.42521422  0.75549132  1.0
  O  O142  1  0.63899895  0.92845411  0.25030249  1.0
  O  O143  1  0.67524702  0.93201748  0.75149500  1.0

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