Cs–O system

171 accepted literature values from 1 paper(s) (experimental 50, model 36, DFT 73, unspecified 12); 1 calculated phase diagram(s). 4 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (15) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	50
model	36
DFT	73
unspecified	12

Accepted values by property group
Property group	Values
invariant reaction	1
phase transition	9
formation	39
heat capacity / entropy / enthalpy	54
crystal structure	68

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 file	Assessment	SHA-256	Links
CsO-15Gue.tdb	C. Gueneau, J.-L. Fleche, Calphad, 49, 67-78(2015). doi:10.1016/j.calphad.2015.02.002	`5219d7e34c2f9d747da82c88e4744644fccf0b1155da2778af483725a55b4ebe`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CsO-15Gue.tdb	325.17	ION (x(O) 0.19439) + CS4O (x(O) 0.2) + CS3O (x(O) 0.25)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Cs–O system (1)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
262.7	peritectic: Cs7O2 = Cs7O + Cs3O		experimental	[1] Guéneau 2015 cites Knights 1979 doi	p. 2 report	Their observation of a transition at 262.7 K between 20 and 25 at% O implies that Cs7O2 decomposes by a peritectic reaction into Cs7O and Cs3O.

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, Cs–O system (39)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Cs2O		-122.367 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 10 report
Cs2O		-117.4 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Brillant 2009	Table 5, p. 7, row 12 report
Cs2O		-116.933 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Jain 2010 doi	Table 5, p. 7, row 11 report
Cs2O	Cs2O	-116.133 kJ/mol-atom	298.15	experimental	-114.685 (mp-aaaaalvg)	-107.286 (oqmd-1343720)	[1] Guéneau 2015 cites Knights 1979 doi	Table 5, p. 7, row 18 report
Cs2O	Cs2O	-115.333 kJ/mol-atom	298.15	unspecified	-114.685 (mp-aaaaalvg)	-107.286 (oqmd-1343720)	[1] Guéneau 2015 cites Lamoreaux 1984 doi	Table 5, p. 7, row 16 report
Cs2O	Cs2O	-115.333 kJ/mol-atom	298.15	model	-114.685 (mp-aaaaalvg)	-107.286 (oqmd-1343720)	[1] Guéneau 2015	Table 5, p. 7, row 19 report
Cs2O	Cs2O	-115.333 kJ/mol-atom	298.15	unspecified	-114.685 (mp-aaaaalvg)	-107.286 (oqmd-1343720)	[1] Guéneau 2015 cites Cordfunke 1990	Table 5, p. 7, row 14 report
Cs2O	Cs2O	-115.333 kJ/mol-atom	298.15	model	-114.685 (mp-aaaaalvg)	-107.286 (oqmd-1343720)	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 15 report
Cs2O	Cs2O	-115.333 kJ/mol-atom	298.15	experimental	-114.685 (mp-aaaaalvg)	-107.286 (oqmd-1343720)	[1] Guéneau 2015 cites Settle 1974 doi	Table 5, p. 7, row 17 report
Cs2O2		-131.025 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Jain 2010 doi	Table 5, p. 7, row 21 report
Cs2O2		-129.05 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Brillant 2009	Table 5, p. 7, row 22 report
Cs2O2	CsO	-124.4 kJ/mol-atom	298.15	unspecified	-118.726 (mp-aaaaalrs)	-117.021 (oqmd-4779)	[1] Guéneau 2015 cites Lamoreaux 1984 doi	Table 5, p. 7, row 25 report
Cs2O2	CsO	-110 kJ/mol-atom	298.15	model	-118.726 (mp-aaaaalrs)	-117.021 (oqmd-4779)	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 24 report
Cs2O2	CsO	-110 kJ/mol-atom	298.15	unspecified	-118.726 (mp-aaaaalrs)	-117.021 (oqmd-4779)	[1] Guéneau 2015 cites Cordfunke 1990	Table 5, p. 7, row 23 report
Cs2O2		-97.95 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 20 report
Cs2O2	CsO	-97.5 kJ/mol-atom	298.15	model	-118.726 (mp-aaaaalrs)	-117.021 (oqmd-4779)	[1] Guéneau 2015	Table 5, p. 7, row 27 report
Cs2O2	CsO	-96.625 kJ/mol-atom	298.15	experimental	-118.726 (mp-aaaaalrs)	-117.021 (oqmd-4779)	[1] Guéneau 2015 cites Knights 1979 doi	Table 5, p. 7, row 26 report
Cs3O		-92.575 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Jain 2010 doi	Table 5, p. 7, row 8 report
Cs3O	Cs3O	-85.475 kJ/mol-atom	298.15	model	-89.555 (mp-aaabdavm)	-85.555 (oqmd-2013713)	[1] Guéneau 2015	Table 5, p. 7, row 9 report
Cs3O		-74.125 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 7 report
Cs4O		-67.84 kJ/mol-atom	298.15	model			[1] Guéneau 2015	Table 5, p. 7, row 4 report
Cs4O		-59.64 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 3 report
Cs7O	Cs7O	-42.5625 kJ/mol-atom	298.15	model	-44.374 (mp-aaabfyzf)	-43.119 (oqmd-1632)	[1] Guéneau 2015	Table 5, p. 7, row 2 report
Cs7O		-37.475 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 1 report
Cs7O2		-682.3 kJ/mol (basis unstated)	298.15	model			[1] Guéneau 2015	Table 5, p. 7, row 6 report
Cs7O2		-576 kJ/mol (basis unstated)	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 5 report
Cs7O2		-75.8111 kJ/mol-atom	298.15	model			[1] Guéneau 2015	Table 5, p. 7, row 6 report
Cs7O2		-64 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 5 report
CsO2		-129.533 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Jain 2010 doi	Table 5, p. 7, row 29 report
CsO2		-117.067 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Brillant 2009	Table 5, p. 7, row 30 report
CsO2	CsO2	-95.4 kJ/mol-atom	298.15	model	-94.541 (mp-aaaaacdl)	-103.292 (oqmd-6963)	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 32 report
CsO2	CsO2	-95.4 kJ/mol-atom	298.15	unspecified	-94.541 (mp-aaaaacdl)	-103.292 (oqmd-6963)	[1] Guéneau 2015 cites Lamoreaux 1984 doi	Table 5, p. 7, row 33 report
CsO2		-84.2667 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 28 report
CsO2	CsO2	-80.4667 kJ/mol-atom	298.15	model	-94.541 (mp-aaaaacdl)	-103.292 (oqmd-6963)	[1] Guéneau 2015	Table 5, p. 7, row 35 report
CsO2	CsO2	-78.3 kJ/mol-atom	298.15	experimental	-94.541 (mp-aaaaacdl)	-103.292 (oqmd-6963)	[1] Guéneau 2015 cites Knights 1979 doi	Table 5, p. 7, row 34 report
CsO2	CsO2	-77.7 kJ/mol-atom	298.15	unspecified	-94.541 (mp-aaaaacdl)	-103.292 (oqmd-6963)	[1] Guéneau 2015 cites Cordfunke 1990	Table 5, p. 7, row 31 report
CsO3		-71 kJ/mol-atom	298.15	DFT			[1] Guéneau 2015	Table 5, p. 7, row 36 report
CsO3	CsO3	-68.15 kJ/mol-atom	298.15	model	-62.92 (mp-aaacprqh)	-84.786 (oqmd-6357)	[1] Guéneau 2015	Table 5, p. 7, row 38 report
CsO3		-50.175 kJ/mol-atom	0	DFT			[1] Guéneau 2015 cites Jain 2010 doi	Table 5, p. 7, row 37 report

Other properties

Phase transition (9)

Phase transition, Cs–O system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	276 K	276	congruent transformation	experimental	[1] Guéneau 2015 cites Brauer 1947 doi	p. 2 report	In the Cs-Cs2O part, an eutectic reaction (liquid1⁄4 Cs bccþ Cs7O) was measured by Brauer [10] at 271 K and the compound Cs7O was found to melt congruently at 276 K.
Phase transition	326 K	326	Cs4O = liquid + Cs3O	experimental	[1] Guéneau 2015 cites Knights 1979 doi	p. 2 report	Cs4O was found to decompose at 326 K into liquid and Cs3O.
Phase transition	343 K	343	other	experimental	[1] Guéneau 2015 cites Cordfunke 1990	p. 2 report	The largest uncertainties were on both the melting point of Cs2O2 (863 K) and the decomposition of CsO3 (343 K), which were reported on the phase diagrams successively by Knights and Phillips [11], Cordfunke and Konings [8].
Phase transition	437 K	437	Cs3O = liquid + Cs2O	experimental	[1] Guéneau 2015	p. 2 report	And Cs3O was observed to decompose into liquid and Cs2O at 437 K.
Phase transition	705 K	705	CsO2	experimental	[1] Guéneau 2015 cites Blumenthal 1933	p. 2 report	The melting point of CsO2 was estimated at 705 K by Blumenthal and Centerszwer [12] and later reported as 723 K by Vol'nov [13].
Phase transition	723 K	723	CsO2	experimental	[1] Guéneau 2015 cites Volnov 1967	p. 2 report	The melting point of CsO2 was estimated at 705 K by Blumenthal and Centerszwer [12] and later reported as 723 K by Vol'nov [13].
Phase transition	723 K	723	CsO2	experimental	[1] Guéneau 2015 cites Volnov 1967	p. 2 report	CsO2 was observed to start to melt at 723 K in agreement with Vol'nov [13].
Phase transition	768 K	768	Cs2O	experimental	[1] Guéneau 2015 cites Touzain 1976 doi	p. 2 report	The melting point of Cs2O was found at 768 K by Touzain [14] using DTA.
Phase transition	863 K	863	Cs2O2	experimental	[1] Guéneau 2015 cites Cordfunke 1990	p. 2 report	The largest uncertainties were on both the melting point of Cs2O2 (863 K) and the decomposition of CsO3 (343 K), which were reported on the phase diagrams successively by Knights and Phillips [11], Cordfunke and Konings [8].

Heat capacity / entropy / enthalpy (54)

Heat capacity / entropy / enthalpy, Cs–O system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S0 298.15 K	48.9667 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	unspecified	[1] Guéneau 2015 cites Lamoreaux 1984 doi	Table 5, p. 7, row 16 report
Entropy printed: S0 298.15 K	38.2 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Knights 1979 doi	Table 5, p. 7, row 18 report
Entropy printed: S0 298.15 K	48.9667 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	model	[1] Guéneau 2015	Table 5, p. 7, row 19 report
Entropy printed: S0 298.15 K	52.4333 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 5, p. 7, row 10 report
Entropy printed: S0 298.15 K	48.9667 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	unspecified	[1] Guéneau 2015 cites Cordfunke 1990	Table 5, p. 7, row 14 report
Entropy printed: S0 298.15 K	48.9667 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Flotow 1974 doi	Table 5, p. 7, row 13 report
Entropy printed: S0 298.15 K	48.9667 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	model	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 15 report
Entropy printed: S0 298.15 K	48.9 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Settle 1974 doi	Table 5, p. 7, row 17 report
Entropy printed: S0 298.15 K	45 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	model	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 24 report
Entropy printed: S0 298.15 K	36.075 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	unspecified	[1] Guéneau 2015 cites Lamoreaux 1984 doi	Table 5, p. 7, row 25 report
Entropy printed: S0 298.15 K	53.85 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	model	[1] Guéneau 2015	Table 5, p. 7, row 27 report
Entropy printed: S0 298.15 K	43.4 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	unspecified	[1] Guéneau 2015 cites Cordfunke 1990	Table 5, p. 7, row 23 report
Entropy printed: S0 298.15 K	53.325 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	experimental	[1] Guéneau 2015 cites Knights 1979 doi	Table 5, p. 7, row 26 report
Entropy printed: S0 298.15 K	40.925 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	DFT	[1] Guéneau 2015	Table 5, p. 7, row 20 report
Entropy printed: S0 298.15 K	65.45 J/mol-atom/K	298.15	Cs3O alloy: O 0.25	model	[1] Guéneau 2015	Table 5, p. 7, row 9 report
Entropy printed: S0 298.15 K	59.25 J/mol-atom/K	298.15	Cs3O alloy: O 0.25	DFT	[1] Guéneau 2015	Table 5, p. 7, row 7 report
Entropy printed: S0 298.15 K	60.86 J/mol-atom/K	298.15	Cs4O alloy: O 0.2	DFT	[1] Guéneau 2015	Table 5, p. 7, row 3 report
Entropy printed: S0 298.15 K	72.84 J/mol-atom/K	298.15	Cs4O alloy: O 0.2	model	[1] Guéneau 2015	Table 5, p. 7, row 4 report
Entropy printed: S0 298.15 K	78.075 J/mol-atom/K	298.15	Cs7O alloy: O 0.125	model	[1] Guéneau 2015	Table 5, p. 7, row 2 report
Entropy printed: S0 298.15 K	77.1625 J/mol-atom/K	298.15	Cs7O alloy: O 0.125	DFT	[1] Guéneau 2015	Table 5, p. 7, row 1 report
Entropy printed: S0 298.15 K	69.0444 J/mol-atom/K	298.15	Cs7O2 alloy: O 0.222222	model	[1] Guéneau 2015	Table 5, p. 7, row 6 report
Entropy printed: S0	621.4 J/mol (basis unstated)/K	298.15	Cs7O2	model	[1] Guéneau 2015	Table 5, p. 7, row 6 report
Entropy printed: S0	545 J/mol (basis unstated)/K	298.15	Cs7O2	DFT	[1] Guéneau 2015	Table 5, p. 7, row 5 report
Entropy printed: S0 298.15 K	60.5556 J/mol-atom/K	298.15	Cs7O2 alloy: O 0.222222	DFT	[1] Guéneau 2015	Table 5, p. 7, row 5 report
Entropy printed: S0 298.15 K	57.0667 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	experimental	[1] Guéneau 2015 cites Knights 1979 doi	Table 5, p. 7, row 34 report
Entropy printed: S0 298.15 K	54.4 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	model	[1] Guéneau 2015	Table 5, p. 7, row 35 report
Entropy printed: S0 298.15 K	47.3333 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	model	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 32 report
Entropy printed: S0 298.15 K	49.1667 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	DFT	[1] Guéneau 2015	Table 5, p. 7, row 28 report
Entropy printed: S0 298.15 K	46.6 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	unspecified	[1] Guéneau 2015 cites Lamoreaux 1984 doi	Table 5, p. 7, row 33 report
Entropy printed: S0 298.15 K	45.5 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	unspecified	[1] Guéneau 2015 cites Cordfunke 1990	Table 5, p. 7, row 31 report
Entropy printed: S0 298.15 K	36.175 J/mol-atom/K	298.15	CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 5, p. 7, row 36 report
Entropy printed: S0 298.15 K	42.15 J/mol-atom/K	298.15	CsO3 alloy: O 0.75	model	[1] Guéneau 2015	Table 5, p. 7, row 38 report
Heat capacity printed: Cp0 298.15 K	25.2333 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	model	[1] Guéneau 2015	Table 5, p. 7, row 19 report
Heat capacity printed: Cp0 298.15 K	24.9333 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 5, p. 7, row 10 report
Heat capacity printed: Cp0 298.15 K	25.3333 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Flotow 1974 doi	Table 5, p. 7, row 13 report
Heat capacity printed: Cp0 298.15 K	25.3333 J/mol-atom/K	298.15	Cs2O alloy: O 0.333333	model	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 15 report
Heat capacity printed: Cp0 298.15 K	23.75 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	model	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 24 report
Heat capacity printed: Cp0 298.15 K	23.375 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	model	[1] Guéneau 2015	Table 5, p. 7, row 27 report
Heat capacity printed: Cp0 298.15 K	27.75 J/mol-atom/K	298.15	Cs2O2 alloy: O 0.5	DFT	[1] Guéneau 2015	Table 5, p. 7, row 20 report
Heat capacity printed: Cp0 298.15 K	25.675 J/mol-atom/K	298.15	Cs3O alloy: O 0.25	model	[1] Guéneau 2015	Table 5, p. 7, row 9 report
Heat capacity printed: Cp0 298.15 K	26.7 J/mol-atom/K	298.15	Cs3O alloy: O 0.25	DFT	[1] Guéneau 2015	Table 5, p. 7, row 7 report
Heat capacity printed: Cp0 298.15 K	27.28 J/mol-atom/K	298.15	Cs4O alloy: O 0.2	DFT	[1] Guéneau 2015	Table 5, p. 7, row 3 report
Heat capacity printed: Cp0 298.15 K	25.74 J/mol-atom/K	298.15	Cs4O alloy: O 0.2	model	[1] Guéneau 2015	Table 5, p. 7, row 4 report
Heat capacity printed: Cp0 298.15 K	26.3 J/mol-atom/K	298.15	Cs7O alloy: O 0.125	model	[1] Guéneau 2015	Table 5, p. 7, row 2 report
Heat capacity printed: Cp0 298.15 K	26.3125 J/mol-atom/K	298.15	Cs7O alloy: O 0.125	DFT	[1] Guéneau 2015	Table 5, p. 7, row 1 report
Heat capacity printed: Cp0	231.1 J/mol (basis unstated)/K	298.15	Cs7O2	model	[1] Guéneau 2015	Table 5, p. 7, row 6 report
Heat capacity printed: Cp0 298.15 K	25.6778 J/mol-atom/K	298.15	Cs7O2 alloy: O 0.222222	model	[1] Guéneau 2015	Table 5, p. 7, row 6 report
Heat capacity printed: Cp0 298.15 K	25.6889 J/mol-atom/K	298.15	Cs7O2 alloy: O 0.222222	DFT	[1] Guéneau 2015	Table 5, p. 7, row 5 report
Heat capacity printed: Cp0	231.2 J/mol (basis unstated)/K	298.15	Cs7O2	DFT	[1] Guéneau 2015	Table 5, p. 7, row 5 report
Heat capacity printed: Cp0 298.15 K	22.8167 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	model	[1] Guéneau 2015	Table 5, p. 7, row 35 report
Heat capacity printed: Cp0 298.15 K	26.3 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	model	[1] Guéneau 2015 cites SGTE doi	Table 5, p. 7, row 32 report
Heat capacity printed: Cp0 298.15 K	22.7333 J/mol-atom/K	298.15	CsO2 alloy: O 0.666667	DFT	[1] Guéneau 2015	Table 5, p. 7, row 28 report
Heat capacity printed: Cp0 298.15 K	21.075 J/mol-atom/K	298.15	CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 5, p. 7, row 36 report
Heat capacity printed: Cp0 298.15 K	21.05 J/mol-atom/K	298.15	CsO3 alloy: O 0.75	model	[1] Guéneau 2015	Table 5, p. 7, row 38 report

Crystal structure (68)

Crystal structure, Cs–O system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	17.88 Å		Cs11O3 alloy: O 0.214286	DFT	[1] Guéneau 2015	Table 2, p. 4, row 6 report
Lattice a	4.33 Å		Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 2, p. 4, row 10 report
Lattice a	4.232 Å		Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 2, p. 4, row 11 report
Lattice a	8.899 Å		Cs3O alloy: O 0.25	DFT	[1] Guéneau 2015	Table 2, p. 4, row 8 report
Lattice a	17.027 Å		Cs4O alloy: O 0.2	DFT	[1] Guéneau 2015	Table 2, p. 4, row 4 report
Lattice a	16.414 Å		Cs7O alloy: O 0.125	DFT	[1] Guéneau 2015	Table 2, p. 4, row 2 report
Lattice a	4.46 Å		CsO alloy: O 0.5	DFT	[1] Guéneau 2015	Table 2, p. 4, row 13 report
Lattice a	9.031 Å		CsO2 alloy: O 0.666667	DFT	[1] Guéneau 2015	Table 2, p. 4, row 15 report
Lattice a	6.836 Å		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 18 report
Lattice a	7.008 Å		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 17 report
Lattice a	17.61 Å	298.15	Cs11O3 alloy: O 0.214286	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 5 report
Lattice a	4.269 Å	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 9 report
Lattice a	8.78 Å	298.15	Cs3O alloy: O 0.25	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 7 report
Lattice a	16.833 Å	298.15	Cs4O alloy: O 0.2	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 3 report
Lattice a	16.393 Å	298.15	Cs7O alloy: O 0.125	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 1 report
Lattice a	4.322 Å	298.15	CsO alloy: O 0.5	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 12 report
Lattice a	8.924 Å	298.15	CsO2 alloy: O 0.666667	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 14 report
Lattice a	6.709 Å	298.15	CsO3 alloy: O 0.75	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 16 report
Lattice b	9.377 Å		Cs11O3 alloy: O 0.214286	DFT	[1] Guéneau 2015	Table 2, p. 4, row 6 report
Lattice b	20.882 Å		Cs4O alloy: O 0.2	DFT	[1] Guéneau 2015	Table 2, p. 4, row 4 report
Lattice b	7.644 Å		CsO alloy: O 0.5	DFT	[1] Guéneau 2015	Table 2, p. 4, row 13 report
Lattice b	6.358 Å		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 18 report
Lattice b	6.556 Å		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 17 report
Lattice b	9.218 Å	298.15	Cs11O3 alloy: O 0.214286	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 5 report
Lattice b	20.569 Å	298.15	Cs4O alloy: O 0.2	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 3 report
Lattice b	7.517 Å	298.15	CsO alloy: O 0.5	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 12 report
Lattice b	6.244 Å	298.15	CsO3 alloy: O 0.75	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 16 report
Lattice c	24.466 Å		Cs11O3 alloy: O 0.214286	DFT	[1] Guéneau 2015	Table 2, p. 4, row 6 report
Lattice c	22.491 Å		Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 2, p. 4, row 10 report
Lattice c	18.74 Å		Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 2, p. 4, row 11 report
Lattice c	7.627 Å		Cs3O alloy: O 0.25	DFT	[1] Guéneau 2015	Table 2, p. 4, row 8 report
Lattice c	12.643 Å		Cs4O alloy: O 0.2	DFT	[1] Guéneau 2015	Table 2, p. 4, row 4 report
Lattice c	9.357 Å		Cs7O alloy: O 0.125	DFT	[1] Guéneau 2015	Table 2, p. 4, row 2 report
Lattice c	6.495 Å		CsO alloy: O 0.5	DFT	[1] Guéneau 2015	Table 2, p. 4, row 13 report
Lattice c	14.906 Å		CsO2 alloy: O 0.666667	DFT	[1] Guéneau 2015	Table 2, p. 4, row 15 report
Lattice c	9.231 Å		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 18 report
Lattice c	9.42 Å		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 17 report
Lattice c	24.047 Å	298.15	Cs11O3 alloy: O 0.214286	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 5 report
Lattice c	18.82 Å	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 9 report
Lattice c	7.52 Å	298.15	Cs3O alloy: O 0.25	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 7 report
Lattice c	12.4 Å	298.15	Cs4O alloy: O 0.2	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 3 report
Lattice c	9.193 Å	298.15	Cs7O alloy: O 0.125	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 1 report
Lattice c	6.43 Å	298.15	CsO alloy: O 0.5	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 12 report
Lattice c	14.652 Å	298.15	CsO2 alloy: O 0.666667	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 14 report
Lattice c	8.997 Å	298.15	CsO3 alloy: O 0.75	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 16 report
lattice beta	100.29 not_printed		Cs11O3 alloy: O 0.214286	DFT	[1] Guéneau 2015	Table 2, p. 4, row 6 report
lattice beta	122.41 not_printed		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 18 report
lattice beta	123.61 not_printed		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 17 report
lattice beta	100.14 not_printed	298.15	Cs11O3 alloy: O 0.214286	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 5 report
lattice beta	120.85 not_printed	298.15	CsO3 alloy: O 0.75	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 16 report
lattice v	4035.98 Å³		Cs11O3 alloy: O 0.214286	DFT	[1] Guéneau 2015	Table 2, p. 4, row 6 report
lattice v	365.2 Å³		Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 2, p. 4, row 10 report
lattice v	290.57 Å³		Cs2O alloy: O 0.333333	DFT	[1] Guéneau 2015	Table 2, p. 4, row 11 report
lattice v	523.17 Å³		Cs3O alloy: O 0.25	DFT	[1] Guéneau 2015	Table 2, p. 4, row 8 report
lattice v	4496.23 Å³		Cs4O alloy: O 0.2	DFT	[1] Guéneau 2015	Table 2, p. 4, row 4 report
lattice v	2183.46 Å³		Cs7O alloy: O 0.125	DFT	[1] Guéneau 2015	Table 2, p. 4, row 2 report
lattice v	221.43 Å³		CsO alloy: O 0.5	DFT	[1] Guéneau 2015	Table 2, p. 4, row 13 report
lattice v	1215.72 Å³		CsO2 alloy: O 0.666667	DFT	[1] Guéneau 2015	Table 2, p. 4, row 15 report
lattice v	338.7 Å³		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 18 report
lattice v	360.51 Å³		CsO3 alloy: O 0.75	DFT	[1] Guéneau 2015	Table 2, p. 4, row 17 report
lattice v	3842.55 Å³	298.15	Cs11O3 alloy: O 0.214286	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 5 report
lattice v	297.03 Å³	298.15	Cs2O alloy: O 0.333333	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 9 report
lattice v	502.04 Å³	298.15	Cs3O alloy: O 0.25	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 7 report
lattice v	4293.35 Å³	298.15	Cs4O alloy: O 0.2	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 3 report
lattice v	2139.46 Å³	298.15	Cs7O alloy: O 0.125	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 1 report
lattice v	208.9 Å³	298.15	CsO alloy: O 0.5	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 12 report
lattice v	1166.85 Å³	298.15	CsO2 alloy: O 0.666667	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 14 report
lattice v	323.56 Å³	298.15	CsO3 alloy: O 0.75	experimental	[1] Guéneau 2015 cites Villars 2014	Table 2, p. 4, row 16 report

Sources

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

C. Guéneau, J.-L. Flèche, Thermodynamic assessment of the cesium–oxygen system by coupling density functional theory and CALPHAD approaches, Calphad 49, 67-78 (2015). doi:10.1016/j.calphad.2015.02.002

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

Also cite the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0). Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

@misc{orchid_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}