Table 1.

DEED for classifying functional synthesizability of high-entropy ceramics

Composition	Group VIB	DEED	Θ	$\mathbf{<}\mathbf{\Delta }{\mathit{H}}_{\mathbf{hull}}\mathbf{>}$	σ–1	VEC	Experimental results	Reference
Carbides
(HfNbTaZr)C		65	180	22	92	8.50		34
(HfNbTaTiZr)C		53	220	36	99	8.40		4,25–27
(HfTaTiZr)C		44	263	43	83	8.25		34
(HfScTaTiZr)C		37	311	39	55	8.00		16
(HfNbTaTiV)C		37	316	77	103	8.60		4,35
(HfMoNbTaTi)C	Mo	32	362	81	83	8.80		36
(MoNbTaTiV)C	Mo	31	369	101	100	9.00		36
(NbTaTiVZr)C		30	388	89	80	8.60		35
(HfNbTaTiW)C	W	28	411	82	66	8.80		4
(HfNbTaVZr)C		27	436	93	65	8.60		35
(HfTaTiVZr)C		26	439	104	72	8.40		35
(HfNbTiVZr)C		26	440	102	71	8.40		35,37
(MoNbTaVW)C	Mo, W	26	443	171	117	9.40		4
(NbTaTiVW)C	W	26	446	111	75	9.00		4
(HfMoTaTiZr)C	Mo	25	458	95	61	8.60		36
(NbTaTiWZr)C	W	25	460	92	58	8.80		38
(HfTaTiWZr)C	W	23	495	90	49	8.60		4
(CrMoNbTaW)C	Cr, Mo, W	22	535	214	101	9.60		39
(CrMoNbVW)C	Cr, Mo, W	22	537	229	107	9.60		39
(CrMoTaVW)C	Cr, Mo, W	21	560	223	96	9.60		39
(CrMoTiVW)C	Cr, Mo, W	19	605	208	76	9.40		39
(HfMoTaWZr)C	Mo, W	17	681	152	44	9.00		4
(HfMoTiWZr)C	Mo, W	17	702	141	39	8.80		4
(CrHfMoTiW)C	Cr, Mo, W	14	819	210	42	9.20		39
(HfMoVWZr)C	Mo, W	14	846	195	37	9.00		4
(CrHfTaWZr)C	Cr, W	14	851	197	37	9.00		39
(CrMoTiWZr)C	Cr, Mo, W	13	901	225	37	9.20		39
Carbonitrides
(HfTiZr)CN		36	326	91	116	8.50		40
(CrNbTaTiV)CN	Cr	16(c)	719	260	68	9.50		28
(HfNbTiZr)CN		16(c)	736	146	36	8.75		40
(HfNbTaTiZr)CN		15(c)	768	182	41	8.90		28,40–42
(HfNbTiVZr)CN		15(c)	774	199	45	8.90		validation
(HfNbTaTiV)CN		15(c)	793	206	44	9.10		validation
(CrHfNbTiZr)CN	Cr	14(c)	822	233	46	9.10		28
(NbTaTiVZr)CN		14(c)	835	220	42	9.10		validation
(CrHfNbTaTi)CN	Cr	14(c)	847	239	45	9.30		28
(HfTaTiVZr)CN		14(c)	854	220	41	8.90		validation
(CrHfTaTiZr)CN	Cr	13(c)	892	251	42	9.10		28
(MoNbTaTiZr)CN	Mo	12(c)	980	260	36	9.30		validation
(CrMoTaVW)CN	Cr, Mo, W	10(c)	1,109	435	48	10.10		28
(HfTaTiWZr)CN	W	10(c)	1,157	279	28	9.10		validation
(MoNbTiWZr)CN	Mo, W	10(c)	1,181	315	30	9.50		validation
(HfTiVWZr)CN	W	10(c)	1,190	284	27	9.10		validation
(HfMoNbTaW)CN	Mo, W	10(c)	1,207	393	36	9.70		validation
Borides
(HfNbTaTi)B2		175	66	8	251	10.50		43
(HfNbTaTiZr)B2		126	92	15	239	10.40		32,44–49
(HfMoNbTaZr)B2	Mo	89	131	38	302	10.80		validation
(HfNbTaTiV)B2		89	131	25	200	10.60		validation
(HfMoNbTaTi)B2	Mo	75	155	40	224	10.80		46,49–51
(MoNbTaTiZr)B2	Mo	71	164	44	220	10.80		49
(HfMoNbTiZr)B2	Mo	67	173	46	209	10.60		46,49,51,52
(HfMoTaTiZr)B2	Mo	64	180	48	200	10.60		32,45,49,53
(HfNbTaWZr)B2	W	62	188	60	228	10.80		54
(HfTaTiVZr)B2		55	210	42	129	10.40		32
(HfTaTiWZr)B2	W	47	249	66	145	10.60		32
(CrMoTiVW)B2	Cr, Mo, W	40	293	93	147	11.40		validation
(CrMoTaTiW)B2	Cr, Mo, W	37	314	103	140	11.40		54
(CrHfTaTiZr)B2	Cr	36	322	63	81	10.60		32,45,49,51
(HfMoTiWZr)B2	Mo, W	35	328	89	111	10.80		32,45,49,54
(CrHfNbTiZr)B2	Cr	35	333	63	77	10.60		validation
(CrHfMoTaW)B2	Cr, Mo, W	34	346	113	127	11.40		validation
(HfMnTiVZr)B2		17	674	109	32	10.80		validation
(CrHfTiYZr)B2	Cr	17	681	148	43	10.20		validation
(CrHfNbVY)B2	Cr	17	702	139	38	10.60		validation

DEED classifies the carbides and carbonitrides having a rock salt structure (AFLOW prototype AB_cF8_225_a_b), and the borides having an AlB₂ structure (AB2_hP3_191_a_d) (Methods). Components belonging to Group VIB, which do not form stable room-temperature rock salt monocarbides, are listed. DEED and σ^–1 (EFA) are in (eV per atom)⁻¹, Θ in Kelvin, $<\mathrm{\Delta }{H}_{\mathrm{hull}}>$ in (meV per atom) and VEC in (e⁻ per cell). Experimental results showing single- and multiphase forming systems are designated with a circle and a cross , respectively, and the mixed reports are designated with a square . The validation label refers to results obtained in this work. The (c) in the DEED column indicates that cPOCC was used to parameterize the compound. Stoichiometry: carbides M¹M²M³M⁴M⁵C⁵; carbonitrides ${M_2}^1{M_2}^2{M_2}^3{M_2}^4{M_2}^5{\mathrm{C}}_5{\mathrm{N}}_5$ and borides M¹M²M³M⁴M⁵B¹⁰.