La7SmCo6(AgO10)2

High-Entropy Materials HEA

MP-ID: mp-1076866 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La7SmCo6(AgO10)2

MP-ID

mp-1076866

Elements

Sites

144

Density

6.6673

g/cm³

Volume

2,004.45

Å³

Cell a

10.7967

Cell b

11.4202

Cell c

18.0613

α Angle

108.43

β Angle

107.39

γ Angle

90.16

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
5.44	16.2568	2.4	(0,0,1)
10.88	8.1284	8.6	(0,0,2)
21.87	4.0642	13.7	(0,0,4)
22.61	3.9327	3.2	(0,2,-4)
22.63	3.9286	2.9	(0,2,2)
22.63	3.9284	16.2	(2,-2,0)
22.70	3.9172	16.6	(2,2,-2)
25.18	3.5370	3.4	(2,-2,2)
25.18	3.5370	3.2	(2,-2,-2)
25.22	3.5307	3.4	(2,2,-4)
25.25	3.5269	3.0	(2,2,0)
31.33	2.8550	100.0	(0,4,-2)
31.65	2.8267	2.5	(0,2,-6)
31.68	2.8246	78.8	(2,-2,4)
31.68	2.8246	79.4	(2,-2,-4)
31.68	2.8242	2.2	(0,2,4)
31.70	2.8224	77.7	(2,2,-6)
31.75	2.8184	77.9	(2,2,2)
33.06	2.7095	9.5	(0,0,6)
33.19	2.6992	96.2	(4,0,-2)
38.52	2.3373	8.2	(0,4,-6)
38.56	2.3351	8.5	(0,4,2)
40.08	2.2495	8.4	(4,0,-6)
40.12	2.2475	8.4	(4,0,2)

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Energy Properties

Formation Energy/atom

-2.55342

eV/atom

Energy/atom

-7.73998

eV/atom

Energy above Hull

0.1080

eV/atom

Uncorrected Energy

-7.0853

eV/atom

Volume/atom

13.92

Å³

c/a Ratio

1.6729

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

64.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.031930

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

1.5806

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.304%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9986

smaller = more stable mixing

VEC

5.083

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.198

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7479

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaackphl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076866

Reference Citation

The crystal structure and related material properties of La7SmCo6(AgO10)2 were obtained from the Materials Project database (MP-ID: mp-1076866, 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_La7SmCo6(AgO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79665142
_cell_length_b   11.42017003
_cell_length_c   18.06132794
_cell_angle_alpha   108.43412619
_cell_angle_beta   107.38796628
_cell_angle_gamma   90.16421722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7SmCo6(AgO10)2
_chemical_formula_sum   'La28 Sm4 Co24 Ag8 O80'
_cell_volume   2004.44844564
_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  0.30596586  0.06390747  0.11206777  1.0
  La  La1  1  0.30975179  0.06240084  0.61328843  1.0
  La  La2  1  0.30960471  0.56230251  0.61313918  1.0
  La  La3  1  0.80691546  0.06286049  0.61144784  1.0
  La  La4  1  0.80839169  0.56495132  0.11104193  1.0
  La  La5  1  0.81109164  0.56520918  0.61370128  1.0
  La  La6  1  0.19745722  0.43443237  0.38735911  1.0
  La  La7  1  0.19535920  0.43561377  0.88789803  1.0
  La  La8  1  0.19592474  0.93497624  0.38636336  1.0
  La  La9  1  0.19552284  0.93653132  0.88739272  1.0
  La  La10  1  0.69861542  0.43580872  0.38848318  1.0
  La  La11  1  0.69711943  0.93450716  0.38627143  1.0
  La  La12  1  0.69550418  0.93678509  0.88773196  1.0
  La  La13  1  0.06075052  0.29877248  0.11383544  1.0
  La  La14  1  0.05924558  0.29804063  0.61270798  1.0
  La  La15  1  0.05842418  0.79903741  0.61273549  1.0
  La  La16  1  0.55923583  0.29684683  0.11216391  1.0
  La  La17  1  0.56056896  0.30178362  0.61605486  1.0
  La  La18  1  0.55865953  0.79849932  0.11270660  1.0
  La  La19  1  0.55796919  0.79899243  0.61221818  1.0
  La  La20  1  0.44739082  0.20274483  0.38930985  1.0
  La  La21  1  0.44763367  0.19970761  0.88656435  1.0
  La  La22  1  0.44503175  0.70122206  0.38399290  1.0
  La  La23  1  0.44639061  0.69782693  0.88634147  1.0
  La  La24  1  0.94599569  0.20154439  0.38514301  1.0
  La  La25  1  0.94381011  0.20219024  0.88846776  1.0
  La  La26  1  0.94584830  0.70212518  0.38766825  1.0
  La  La27  1  0.94621818  0.70009228  0.88632542  1.0
  Sm  Sm28  1  0.30735189  0.56802086  0.11002498  1.0
  Sm  Sm29  1  0.80900218  0.06743184  0.11108549  1.0
  Sm  Sm30  1  0.69522891  0.43641430  0.89081629  1.0
  Sm  Sm31  1  0.05967605  0.79378218  0.10926682  1.0
  Co  Co32  1  0.00684773  0.00031184  0.00227053  1.0
  Co  Co33  1  0.00718530  0.00085186  0.50134826  1.0
  Co  Co34  1  0.00820426  0.50153974  0.00405112  1.0
  Co  Co35  1  0.00472334  0.49827365  0.49553609  1.0
  Co  Co36  1  0.50905882  0.00138068  0.00443318  1.0
  Co  Co37  1  0.50369006  0.99780039  0.49479866  1.0
  Co  Co38  1  0.50831496  0.50123327  0.00351846  1.0
  Co  Co39  1  0.50675727  0.50015896  0.49858658  1.0
  Co  Co40  1  0.25604760  0.25047539  0.99911038  1.0
  Co  Co41  1  0.25493946  0.24747605  0.49705596  1.0
  Co  Co42  1  0.25926740  0.75326120  0.00515138  1.0
  Co  Co43  1  0.25450325  0.74747924  0.49627618  1.0
  Co  Co44  1  0.75934032  0.25314600  0.00545813  1.0
  Co  Co45  1  0.75475316  0.24758677  0.49678171  1.0
  Co  Co46  1  0.75982447  0.75257070  0.00253452  1.0
  Co  Co47  1  0.75538614  0.74973809  0.49911485  1.0
  Co  Co48  1  0.10744611  0.09475118  0.24777848  1.0
  Co  Co49  1  0.10892932  0.09956611  0.75034720  1.0
  Co  Co50  1  0.10411701  0.59717762  0.24864717  1.0
  Co  Co51  1  0.60390443  0.09623571  0.24921903  1.0
  Co  Co52  1  0.60819477  0.59713956  0.24845076  1.0
  Co  Co53  1  0.35947100  0.90329210  0.24852300  1.0
  Co  Co54  1  0.86230929  0.40383670  0.24913050  1.0
  Co  Co55  1  0.86699801  0.90050641  0.75056336  1.0
  Ag  Ag56  1  0.12707184  0.62023329  0.75029110  1.0
  Ag  Ag57  1  0.62313737  0.12221103  0.75054148  1.0
  Ag  Ag58  1  0.62498429  0.61791519  0.75072899  1.0
  Ag  Ag59  1  0.36900083  0.38402858  0.24968664  1.0
  Ag  Ag60  1  0.37719332  0.37727652  0.75064326  1.0
  Ag  Ag61  1  0.36737991  0.87891428  0.75043390  1.0
  Ag  Ag62  1  0.87376540  0.37946689  0.75057994  1.0
  Ag  Ag63  1  0.86837048  0.88446414  0.24882602  1.0
  O  O64  1  0.12286408  0.11996845  0.48333968  1.0
  O  O65  1  0.11924227  0.11632138  0.98338475  1.0
  O  O66  1  0.12034144  0.61726250  0.47738901  1.0
  O  O67  1  0.12400935  0.62321051  0.99342112  1.0
  O  O68  1  0.62092038  0.11599347  0.47746420  1.0
  O  O69  1  0.62503878  0.12079952  0.99099365  1.0
  O  O70  1  0.62327383  0.62235804  0.48212853  1.0
  O  O71  1  0.62347664  0.61580043  0.98598526  1.0
  O  O72  1  0.14253119  0.38877190  0.02284887  1.0
  O  O73  1  0.13477007  0.37447049  0.50851609  1.0
  O  O74  1  0.13603328  0.88295570  0.01985245  1.0
  O  O75  1  0.13965759  0.87838301  0.51675739  1.0
  O  O76  1  0.64009971  0.38571552  0.02101641  1.0
  O  O77  1  0.63914546  0.37711062  0.51535847  1.0
  O  O78  1  0.64501342  0.89049241  0.02561060  1.0
  O  O79  1  0.63557888  0.87547598  0.51022222  1.0
  O  O80  1  0.36801462  0.11373820  0.47819269  1.0
  O  O81  1  0.37311221  0.11168624  0.98273119  1.0
  O  O82  1  0.36828712  0.61463775  0.47709168  1.0
  O  O83  1  0.37533900  0.61547578  0.99253609  1.0
  O  O84  1  0.86965131  0.11412618  0.47994981  1.0
  O  O85  1  0.87387512  0.11413047  0.99063400  1.0
  O  O86  1  0.87000161  0.61850330  0.48321717  1.0
  O  O87  1  0.87189987  0.60888381  0.98253158  1.0
  O  O88  1  0.38879742  0.39085620  0.01862047  1.0
  O  O89  1  0.38492932  0.38002146  0.51258192  1.0
  O  O90  1  0.39303112  0.89019244  0.02304651  1.0
  O  O91  1  0.38320235  0.88054809  0.50932753  1.0
  O  O92  1  0.89229577  0.38989030  0.02147741  1.0
  O  O93  1  0.88311925  0.38134005  0.50972659  1.0
  O  O94  1  0.89408162  0.89232704  0.02343847  1.0
  O  O95  1  0.88575388  0.88196479  0.51575980  1.0
  O  O96  1  0.09001467  0.10887086  0.13885066  1.0
  O  O97  1  0.08141984  0.10163858  0.63559012  1.0
  O  O98  1  0.09223062  0.61138173  0.14074619  1.0
  O  O99  1  0.07877223  0.59791513  0.62042161  1.0
  O  O100  1  0.59372198  0.10874056  0.14140177  1.0
  O  O101  1  0.58081750  0.09697152  0.62055785  1.0
  O  O102  1  0.58802687  0.60631839  0.13816174  1.0
  O  O103  1  0.57572211  0.59647246  0.61959209  1.0
  O  O104  1  0.45869183  0.40190135  0.37683705  1.0
  O  O105  1  0.46395358  0.40267215  0.87933419  1.0
  O  O106  1  0.44395836  0.89631332  0.36070694  1.0
  O  O107  1  0.46316797  0.89803714  0.87820192  1.0
  O  O108  1  0.94417128  0.39725830  0.36174115  1.0
  O  O109  1  0.96024676  0.39917944  0.87902087  1.0
  O  O110  1  0.95890489  0.89920044  0.37574927  1.0
  O  O111  1  0.95063230  0.89610130  0.86472240  1.0
  O  O112  1  0.33378921  0.27122182  0.12370271  1.0
  O  O113  1  0.32893990  0.27338829  0.62151097  1.0
  O  O114  1  0.33192372  0.78227014  0.13716662  1.0
  O  O115  1  0.33480858  0.77183199  0.62232037  1.0
  O  O116  1  0.83483756  0.28208449  0.13791860  1.0
  O  O117  1  0.83024105  0.27033112  0.62219780  1.0
  O  O118  1  0.84150520  0.77280644  0.12301382  1.0
  O  O119  1  0.83693892  0.78328653  0.63628466  1.0
  O  O120  1  0.19728805  0.21378851  0.35958003  1.0
  O  O121  1  0.19665011  0.21750259  0.86497123  1.0
  O  O122  1  0.19516138  0.71838214  0.35844849  1.0
  O  O123  1  0.20845641  0.72738274  0.88044744  1.0
  O  O124  1  0.69585262  0.21764757  0.35875477  1.0
  O  O125  1  0.71003073  0.23012602  0.88018582  1.0
  O  O126  1  0.69897694  0.71642488  0.35985550  1.0
  O  O127  1  0.70777523  0.72976573  0.88184214  1.0
  O  O128  1  0.41494901  0.07312072  0.24983484  1.0
  O  O129  1  0.39093360  0.09324479  0.75020385  1.0
  O  O130  1  0.41956423  0.59344234  0.24472923  1.0
  O  O131  1  0.39465271  0.59333439  0.74985258  1.0
  O  O132  1  0.91963139  0.09431352  0.24583408  1.0
  O  O133  1  0.91812306  0.07361236  0.75047411  1.0
  O  O134  1  0.91550977  0.57337620  0.24926472  1.0
  O  O135  1  0.89117106  0.59522323  0.74998316  1.0
  O  O136  1  0.14181042  0.42838296  0.25042500  1.0
  O  O137  1  0.14462006  0.40270847  0.75048930  1.0
  O  O138  1  0.16704301  0.92447217  0.24380995  1.0
  O  O139  1  0.13889573  0.92798924  0.75037349  1.0
  O  O140  1  0.67318637  0.43073150  0.25022603  1.0
  O  O141  1  0.64377221  0.40619535  0.75555018  1.0
  O  O142  1  0.64134067  0.92695526  0.24982134  1.0
  O  O143  1  0.67900727  0.90661075  0.75010765  1.0

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