Ru–Sm system

86 accepted literature values from 1 paper(s) (model 66, DFT 10, unspecified 10); 1 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence classValues
model66
DFT10
unspecified10
Accepted values by property group
Property groupValues
formation80
crystal structure6

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB fileAssessmentSHA-256Links
RuSm-23Kar.tdbS. Kardellass, C. Corvalan-Moya, V.P. Vassiliev, J. Phase Equilib. Diffus., 44, 300-23(2023). doi:10.1007/s11669-023-01043-1a4c9d51d324b0c371c9957f7a23a704798167ea31d715adddf2e19896ba1a2abviewer · TDB · JSON
Calculated three-phase invariants (model, mole fraction of the second component)
TDB fileT (K)Phases at the invariant
RuSm-23Kar.tdb2001.11HCP_A3 (x(Sm) 0.00164) + LIQUID (x(Sm) 0.20333) + RU2SM_C15 (x(Sm) 0.33333)
RuSm-23Kar.tdb2001.11HCP_A3 (x(Sm) 0.00164) + LIQUID (x(Sm) 0.20326) + RU2SM_C15 (x(Sm) 0.33333)
RuSm-23Kar.tdb1344.99RU2SM_C15 (x(Sm) 0.33333) + BCC_A2 (x(Sm) 1) + LIQUID (x(Sm) 1)
RuSm-23Kar.tdb1210.37RU2SM_C15 (x(Sm) 0.33333) + RU25SM44 (x(Sm) 0.63768) + LIQUID (x(Sm) 0.65642)
RuSm-23Kar.tdb1210.37RU2SM_C15 (x(Sm) 0.33333) + RU25SM44 (x(Sm) 0.63768) + LIQUID (x(Sm) 0.65624)
RuSm-23Kar.tdb1205.2RU25SM44 (x(Sm) 0.63768) + LIQUID (x(Sm) 0.66688) + RU2SM5 (x(Sm) 0.71429)
RuSm-23Kar.tdb1205.2RU25SM44 (x(Sm) 0.63768) + LIQUID (x(Sm) 0.667) + RU2SM5 (x(Sm) 0.71429)
RuSm-23Kar.tdb1205.2RU25SM44 (x(Sm) 0.63768) + LIQUID (x(Sm) 0.6666) + RU2SM5 (x(Sm) 0.71429)
RuSm-23Kar.tdb1195.12LIQUID (x(Sm) 0.93253) + HCP_A3 (x(Sm) 0.99996) + BCC_A2 (x(Sm) 0.99999)
RuSm-23Kar.tdb1195.12LIQUID (x(Sm) 0.93256) + HCP_A3 (x(Sm) 0.99996) + BCC_A2 (x(Sm) 0.99999)
RuSm-23Kar.tdb1194.35RU2SM5 (x(Sm) 0.71429) + RUSM3_D011 (x(Sm) 0.75) + LIQUID (x(Sm) 0.77297)
RuSm-23Kar.tdb1194.34RU2SM5 (x(Sm) 0.71429) + RUSM3_D011 (x(Sm) 0.75) + LIQUID (x(Sm) 0.77318)
RuSm-23Kar.tdb1048.98RUSM3_D011 (x(Sm) 0.75) + LIQUID (x(Sm) 0.87525) + HCP_A3 (x(Sm) 0.99994)
RuSm-23Kar.tdb1048.98RUSM3_D011 (x(Sm) 0.75) + LIQUID (x(Sm) 0.87534) + HCP_A3 (x(Sm) 0.99994)
RuSm-23Kar.tdb1002.51RUSM3_D011 (x(Sm) 0.75) + HCP_A3 (x(Sm) 0.99996) + RHOMB_C19 (x(Sm) 1)
RuSm-23Kar.tdb1002.51RUSM3_D011 (x(Sm) 0.75) + HCP_A3 (x(Sm) 0.99996) + RHOMB_C19 (x(Sm) 1)
RuSm-23Kar.tdb1002.51RUSM3_D011 (x(Sm) 0.75) + HCP_A3 (x(Sm) 0.99996) + RHOMB_C19 (x(Sm) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Ru–Sm system (44)
PhaseCompoundValueT (K)ClassMP DFT (kJ/mol-atom)OQMD DFT (kJ/mol-atom)SourceLocationQuote
Ln3Ru-37.5761 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 13
report
Ln3Ru-26.5979 kJ/mol-atommodel[1] Kardellass 2023
cites De 2014
Table 3, p. 9, row 16
report
Ln3Ru-23.2407 kJ/mol-atommodel[1] Kardellass 2023
cites Zhang 2007 doi
Table 3, p. 9, row 17
report
Ln3Ru-23.031 kJ/mol-atomDFT[1] Kardellass 2023
cites Ceder 2010
Table 3, p. 9, row 18
report
Ln3Ru-22.261 kJ/mol-atomDFT[1] Kardellass 2023
cites Kirklin 2015 doi
Table 3, p. 9, row 19
report
Ln3Ru-21.4787 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 15
report
Ln3Ru-21.3059 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 14
report
LnRu2-66.9039 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 69
report
LnRu2-45.7907 kJ/mol-atommodel[1] Kardellass 2023
cites De 2014
Table 3, p. 9, row 72
report
LnRu2-36.702 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 70
report
LnRu2-36.0316 kJ/mol-atommodel[1] Kardellass 2023
cites Zhang 2007 doi
Table 3, p. 9, row 73
report
LnRu2-34.0161 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 71
report
LnRu2-21.297 kJ/mol-atomunspecified[1] Kardellass 2023Table 3, p. 9, row 75
report
LnRu2-20.044 kJ/mol-atomunspecified[1] Kardellass 2023Table 3, p. 9, row 77
report
LnRu2-19.177 kJ/mol-atomDFT[1] Kardellass 2023
cites Ceder 2010
Table 3, p. 9, row 74
report
LnRu2-17.828 kJ/mol-atomDFT[1] Kardellass 2023
cites Oses 2018 doi
Table 3, p. 9, row 76
report
Sm3RuRuSm3-37.5761 kJ/mol-atommodel-23.003 (mp-aaacpppd)-22.27 (oqmd-1437305)[1] Kardellass 2023Table 3, p. 9, row 13
report
Sm3RuRuSm3-26.5979 kJ/mol-atommodel-23.003 (mp-aaacpppd)-22.27 (oqmd-1437305)[1] Kardellass 2023
cites De 2014
Table 3, p. 9, row 16
report
Sm3RuRuSm3-23.2407 kJ/mol-atommodel-23.003 (mp-aaacpppd)-22.27 (oqmd-1437305)[1] Kardellass 2023
cites Zhang 2007 doi
Table 3, p. 9, row 17
report
Sm3Ru-23.031 kJ/mol-atomDFT[1] Kardellass 2023
cites Ceder 2010
Table 3, p. 9, row 18
report
Sm3Ru-22.261 kJ/mol-atom0DFT[1] Kardellass 2023
cites Kirklin 2015 doi
Table 3, p. 9, row 19
report
Sm3RuRuSm3-21.4787 kJ/mol-atommodel-23.003 (mp-aaacpppd)-22.27 (oqmd-1437305)[1] Kardellass 2023Table 3, p. 9, row 15
report
Sm3RuRuSm3-21.3059 kJ/mol-atommodel-23.003 (mp-aaacpppd)-22.27 (oqmd-1437305)[1] Kardellass 2023Table 3, p. 9, row 14
report
Sm44Ru25-45.3075 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 85
report
Sm44Ru25-38.4054 kJ/mol-atommodel[1] Kardellass 2023
cites De 2014
Table 3, p. 9, row 88
report
Sm44Ru25-30.9578 kJ/mol-atommodel[1] Kardellass 2023
cites Zhang 2007 doi
Table 3, p. 9, row 89
report
Sm44Ru25-26.291 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 86
report
Sm44Ru25-25.8035 kJ/mol-atommodel[1] Kardellass 2023Table 3, p. 9, row 87
report
Sm5Ru2Ru2Sm5-39.9781 kJ/mol-atommodel-25.912 (mp-aaackvjr)-25.094 (oqmd-1484187)[1] Kardellass 2023Table 3, p. 9, row 78
report
Sm5Ru2Ru2Sm5-30.4526 kJ/mol-atommodel-25.912 (mp-aaackvjr)-25.094 (oqmd-1484187)[1] Kardellass 2023
cites De 2014
Table 3, p. 9, row 81
report
Sm5Ru2Ru2Sm5-25.9792 kJ/mol-atommodel-25.912 (mp-aaackvjr)-25.094 (oqmd-1484187)[1] Kardellass 2023
cites Zhang 2007 doi
Table 3, p. 9, row 82
report
Sm5Ru2-25.922 kJ/mol-atomDFT[1] Kardellass 2023
cites Ceder 2010
Table 3, p. 9, row 83
report
Sm5Ru2-25.055 kJ/mol-atom0DFT[1] Kardellass 2023
cites Kirklin 2015 doi
Table 3, p. 9, row 84
report
Sm5Ru2Ru2Sm5-23.4727 kJ/mol-atommodel-25.912 (mp-aaackvjr)-25.094 (oqmd-1484187)[1] Kardellass 2023Table 3, p. 9, row 79
report
Sm5Ru2Ru2Sm5-23.457 kJ/mol-atommodel-25.912 (mp-aaackvjr)-25.094 (oqmd-1484187)[1] Kardellass 2023Table 3, p. 9, row 80
report
SmRu2Ru2Sm-66.9039 kJ/mol-atommodel-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023Table 3, p. 9, row 69
report
SmRu2Ru2Sm-45.7907 kJ/mol-atommodel-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023
cites De 2014
Table 3, p. 9, row 72
report
SmRu2Ru2Sm-36.702 kJ/mol-atommodel-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023Table 3, p. 9, row 70
report
SmRu2Ru2Sm-36.0316 kJ/mol-atommodel-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023
cites Zhang 2007 doi
Table 3, p. 9, row 73
report
SmRu2Ru2Sm-34.0161 kJ/mol-atommodel-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023Table 3, p. 9, row 71
report
SmRu2Ru2Sm-21.297 kJ/mol-atomunspecified-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023Table 3, p. 9, row 75
report
SmRu2Ru2Sm-20.044 kJ/mol-atomunspecified-21.247 (mp-aaacksvm)-20.066 (oqmd-1375455)[1] Kardellass 2023Table 3, p. 9, row 77
report
SmRu2-19.177 kJ/mol-atomDFT[1] Kardellass 2023
cites Ceder 2010
Table 3, p. 9, row 74
report
SmRu2-17.828 kJ/mol-atomDFT[1] Kardellass 2023
cites Oses 2018 doi
Table 3, p. 9, row 76
report

Other properties

Formation (36)

Formation, Ru–Sm system
PropertyValueT (K)Phases / compositionClassSourceLocationQuote
Entropy of formation
printed: ΔSf
-0.03663 J/mol-atom/KLn3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 15
report
Entropy of formation
printed: ΔSf
-0.06146 J/mol-atom/KLn3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 14
report
Entropy of formation
printed: ΔSf
-1.9487 J/mol-atom/KLn3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 13
report
Entropy of formation
printed: ΔSf
-1.6456 J/mol-atom/KLnRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 69
report
Entropy of formation
printed: ΔSf
-0.5529 J/mol-atom/KLnRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 70
report
Entropy of formation
printed: ΔSf
-0.7669 J/mol-atom/KLnRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 71
report
Entropy of formation
printed: ΔSf
-0.03663 J/mol-atom/KSm3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 15
report
Entropy of formation
printed: ΔSf
-0.06146 J/mol-atom/KSm3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 14
report
Entropy of formation
printed: ΔSf
-1.9487 J/mol-atom/KSm3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 13
report
Entropy of formation
printed: ΔSf
-0.41058 J/mol-atom/KSm44Ru25
alloy: Ru 0.362319, Sm 0.637681
model[1] Kardellass 2023Table 3, p. 9, row 85
report
Entropy of formation
printed: ΔSf
-0.16443 J/mol-atom/KSm44Ru25
alloy: Ru 0.362319, Sm 0.637681
model[1] Kardellass 2023Table 3, p. 9, row 87
report
Entropy of formation
printed: ΔSf
-0.11085 J/mol-atom/KSm44Ru25
alloy: Ru 0.362319, Sm 0.637681
model[1] Kardellass 2023Table 3, p. 9, row 86
report
Entropy of formation
printed: ΔSf
-0.6238 J/mol-atom/KSm5Ru2
alloy: Ru 0.285714, Sm 0.714286
model[1] Kardellass 2023Table 3, p. 9, row 78
report
Entropy of formation
printed: ΔSf
-0.01077 J/mol-atom/KSm5Ru2
alloy: Ru 0.285714, Sm 0.714286
model[1] Kardellass 2023Table 3, p. 9, row 79
report
Entropy of formation
printed: ΔSf
-6.900e-4 J/mol-atom/KSm5Ru2
alloy: Ru 0.285714, Sm 0.714286
model[1] Kardellass 2023Table 3, p. 9, row 80
report
Entropy of formation
printed: ΔSf
-1.6456 J/mol-atom/KSmRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 69
report
Entropy of formation
printed: ΔSf
-0.5529 J/mol-atom/KSmRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 70
report
Entropy of formation
printed: ΔSf
-0.7669 J/mol-atom/KSmRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 71
report
Gibbs energy of formation
printed: ΔGf
-21.4421 kJ/mol-atomLn3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 15
report
Gibbs energy of formation
printed: ΔGf
-21.2445 kJ/mol-atomLn3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 14
report
Gibbs energy of formation
printed: ΔGf
-35.6274 kJ/mol-atomLn3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 13
report
Gibbs energy of formation
printed: ΔGf
-65.2583 kJ/mol-atomLnRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 69
report
Gibbs energy of formation
printed: ΔGf
-36.1491 kJ/mol-atomLnRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 70
report
Gibbs energy of formation
printed: ΔGf
-33.2492 kJ/mol-atomLnRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 71
report
Gibbs energy of formation
printed: ΔGf
-25.6391 kJ/mol-atomSm44Ru25
alloy: Ru 0.362319, Sm 0.637681
model[1] Kardellass 2023Table 3, p. 9, row 87
report
Gibbs energy of formation
printed: ΔGf
-39.3543 kJ/mol-atomSm5Ru2
alloy: Ru 0.285714, Sm 0.714286
model[1] Kardellass 2023Table 3, p. 9, row 78
report
Gibbs energy of formation
printed: ΔGf
-23.4619 kJ/mol-atomSm5Ru2
alloy: Ru 0.285714, Sm 0.714286
model[1] Kardellass 2023Table 3, p. 9, row 79
report
Gibbs energy of formation
printed: ΔGf
-23.4563 kJ/mol-atomSm5Ru2
alloy: Ru 0.285714, Sm 0.714286
model[1] Kardellass 2023Table 3, p. 9, row 80
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-21.4421 kJ/mol-atom1000Sm3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 15
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-21.2445 kJ/mol-atom1000Sm3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 14
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-35.6274 kJ/mol-atom1000Sm3Ru
alloy: Ru 0.25, Sm 0.75
model[1] Kardellass 2023Table 3, p. 9, row 13
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-44.8969 kJ/mol-atom1000Sm44Ru25
alloy: Ru 0.362319, Sm 0.637681
model[1] Kardellass 2023Table 3, p. 9, row 85
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-26.1801 kJ/mol-atom1000Sm44Ru25
alloy: Ru 0.362319, Sm 0.637681
model[1] Kardellass 2023Table 3, p. 9, row 86
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-65.2583 kJ/mol-atom1000SmRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 69
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-36.1491 kJ/mol-atom1000SmRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 70
report
Gibbs energy of formation
printed: ΔGf at 1000 K
-33.2492 kJ/mol-atom1000SmRu2
alloy: Ru 0.666667, Sm 0.333333
model[1] Kardellass 2023Table 3, p. 9, row 71
report

Crystal structure (6)

Crystal structure, Ru–Sm system
PropertyValueT (K)Phases / compositionClassSourceLocationQuote
Lattice a7.33 Å298.15Sm3Ru
alloy: Ru 0.25, Sm 0.75
unspecified[1] Kardellass 2023Table 2, p. 6, row 20
report
Lattice a7.33 Å925 (<)Sm3Ru
Sm3Ru: Ru 0.25
unspecified[1] Kardellass 2023Table 2, p. 6, row 19
report
Lattice b9.508 Å298.15Sm3Ru
alloy: Ru 0.25, Sm 0.75
unspecified[1] Kardellass 2023Table 2, p. 6, row 20
report
Lattice b9.461 Å925 (<)Sm3Ru
Sm3Ru: Ru 0.25
unspecified[1] Kardellass 2023Table 2, p. 6, row 19
report
Lattice c6.361 Å298.15Sm3Ru
alloy: Ru 0.25, Sm 0.75
unspecified[1] Kardellass 2023Table 2, p. 6, row 20
report
Lattice c6.334 Å925 (<)Sm3Ru
Sm3Ru: Ru 0.25
unspecified[1] Kardellass 2023Table 2, p. 6, row 19
report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

  1. S. Kardellass, C. Corvalan-Moya, V. P. Vassiliev, Thermodynamic Modeling of the (Ce and Sm)-Ru Binary Systems Based on Linear, Exponential, and Combined Models Aided by Ab-Initio Calculations, J. Phase Equilib. Diffus. 44, 300-323 (2023). doi:10.1007/s11669-023-01043-1