SGTE Unary database


The SGTE Unary database - reference data for the thermodynamic properties of the elements


The development and use of databanks for the calculation of complex multi-component phase equilibria has made it necessary to adopt standards for the critical assessment of data. The basis for the whole process is the definition of reference data for the thermodynamic properties of the elements (and other key components) in various phases in which they may occur or dissolve.

Through the years SGTE has determined and compiled such data in the form of Gibbs energies of the elements in various crystaline states and in the liquid state. This compilation has been used as the basis for very many assessments of binary and higher order alloy systems, initially by members of SGTE, meanwhile by many other scientists from the field. These subsystems can, thanks to the use of the same data for the component elements, be combined into higher order systems and thus make it possible to investigate real world alloys.

It is SGTEs general policy to make the data for the elements freely available to the scientific community. Please make appropriate use of them. In case you want to set up a new database for an alloy system you can extract the necessary phase component data from SGUNBase while you assemble the basic solution phases such as Liquid, FCC_A1, BCC_A2 etc.

There is however one other case of use of the SGUNBase: When ChemSage *.DAT files have been converted into FactSage compatible databases it may so happen that not all elementary components of the chemical system contained in the *.DAT file are treated as Pure Substances, i.e. pure stoichiometric solids, liquids or gases. For example in the Cr-Ni system there are only components of the three solutions Liquid, FCC_A1 and BCC_A2.

Thus the required entries for pure solid Cr and Ni which FactSage searches for when chemical inputs are defined, e.g. in the Reactants Screen of Equilib, will not be found and an error message will occur. This problem, and thus the error message, is avoided if one selects not only the converted ChemSage database files but also the SGUNBase for search of the elements and phases.

A final note: If you come across missing data or if you encounter data problems in the SGUNBase, please do not hesitate to contact us.

 

List of elements and phases

Elementary Components (alphabetical order):

  1: Ag

  2: Al

  3: Am

  4: As

  5: Au

  6: B

  7: Ba

  8: Be

  9: Bi

10: C

11: Ca

12: Cd

13: Ce

14: Co

15: Cr

16: Cs

17: Cu

18: Dy

19: Er

20: Eu

21: Fe

22: Ga

23: Gd

24: Ge

25: Hf

26: Hg

27: Ho

28: In

29: Ir

30: K

31: La

32: Li

33: Lu

34: Mg

35: Mn

36: Mo

37: N

38: Na

39: Nb

40: Nd

41: Ni

42: Np

43: O

44: Os

45: P

46: Pa

47: Pb

48: Pd

49: Pr

50: Pt

51: Pu

52: Rb

53: Re

54: Rh

55: Ru

56: S

57: Sb

58: Sc

59: Se

60: Si

61: Sm

62: Sn

63: Sr

64: Ta

65: Tb

66: Tc

67: Te

68: Th

69: Ti

70: Tl

71: Tm

72: U

73: V

74: W

75: Y

76: Yb

77: Zn

78: Zr

 

 

 Mixture Phases:

   1: gas_ideal          

  Constituents:

   1: N2                         2: O2                     

 

 Stoichiometric Condensed Phases (ordered by atomic mass):

 

 Liquids:

  1: Li(liquid)

  2: Be(liquid)

  3: B(liquid)

  4: C(liquid)

  5: N(liquid)

  6: O(liquid)

  7: Na(liquid)

  8: Mg(liquid)

  9: Al(liquid)

10: Si(liquid)

11: P(liquid)

12: S(liquid)

13: K(liquid)

14: Ca(liquid)

15: Sc(liquid)

16: Ti(liquid)

17: V(liquid)

18: Cr(liquid)

19: Mn(liquid)

20: Fe(liquid)

21: Co(liquid)

22: Ni(liquid)

23: Cu(liquid)

24: Zn(liquid)

25: Ga(liquid)

26:Ge(liquid)

27: As(liquid)

28: Se(liquid)

29: Rb(liquid)

30: Sr(liquid)

31: Y(liquid)

32: Zr(liquid)

33: Nb(liquid)

34: Mo(liquid)

35: Tc(liquid)

36: Ru(liquid)

37: Rh(liquid)

38: Pd(liquid)

39: Ag(liquid)

40: Cd(liquid)

41: In(liquid)

42: Sn(liquid)

43: Sb(liquid)

44: Te(liquid)

45: Cs(liquid)

46: Ba(liquid)

47: La(liquid)

48: Ce(liquid)

49: Pr(liquid)

50: d(liquid)

51: Sm(liquid)

52: Eu(liquid)

53: d(liquid)

54: Tb(liquid)

55: Dy(liquid)

56: o(liquid)

57: Er(liquid)

58: Tm(liquid)

59: Yb(liquid)

60: Lu(liquid)

61: Hf(liquid)

62: Ta(liquid)

63: W(liquid)

64: Re(liquid)

65: Os(liquid)

66: Ir(liquid)

67: Pt(liquid)

68: Au(liquid)

69: Hg(liquid)

70: Tl(liquid)

71: Pb(liquid)

72: Bi(liquid)

73: Th(liquid)

74: Pa(liquid)

75: U(liquid)

76: Np(liquid)

77: Pu(liquid)

78:Am(liquid)

 

  Solids:         

  79: Li_bcc_a2

  80: Li_fcc_a1

  81: Li_hcp_a3

  82: Be_hcp_a3

  83: Be_bcc_a2

  84: Be_fcc_a1

  85: B_beta_rhombo_b

  86: B_diamond_a4

  87: B_graphite

  88: B_bcc_a2

  89: B_fcc_a1

  90: B_hcp_a3

  91: C_graphite

  92: C_diamond_a4

  93: O_bcc_a2

  94: O_fcc_a1

  95: Na_bcc_a2

  96: Na_fcc_a1

  97: Na_hcp_a3

  98: Mg_hcp_a3

  99: Mg_bcc_a2

100: Mg_cbcc_a12

101: Mg_cub_a13

102: Mg_fcc_a1

103: Mg_hcp_zn

104: Al_fcc_a1

105: Al_bct_a5

106: Al_diamond_a4

107: Al_bcc_a2

108: Al_cbcc_a12

109: Al_cub_a13

110: Al_hcp_a3

111: Al_hcp_zn

112: Si_diamond_a4

113: Si_bcc_a2

114: Si_cbcc_a12

115: Si_cub_a13

116: Si_fcc_a1

117: Si_hcp_a3

118: Si_hcp_zn

119: P_white_p

120: P_red_p

121: P_rhombohedral_a7

122: P_bcc_a2

123: P_fcc_a1

124: S_orthorhombic

125: S_monoclinic

126: S_bcc_a2

127: S_fcc_a1

128: K_bcc_a2

129: K_fcc_a1

130: K_hcp_a3

131: Ca_fcc_a1

132: Ca_bcc_a2

133: Ca_hcp_a3

134: Sc_hcp_a3

135: Sc_bcc_a2

136: Sc_dhcp

137: Sc_fcc_a1

138: Ti_hcp_a3

139: Ti_bcc_a2

140: Ti_bct_a5

141: Ti_diamond_a4

142: Ti_cbcc_a12

143: Ti_cub_a13

144: Ti_fcc_a1

145: V_bcc_a2

146: V_cbcc_a12

147: V_cub_a13

148: V_fcc_a1

149: V_hcp_a3

150: Cr_bcc_a2

151: Cr_cbcc_a12

152: Cr_cub_a13

153: Cr_fcc_a1

154: Cr_hcp_a3

155: Cr_hcp_zn

156: Mn_cbcc_a12

157: Mn_cub_a13

158: Mn_fcc_a1

159: Mn_bcc_a2

160: Mn_hcp_a3

161: Fe_bcc_a2

162: Fe_fcc_a1

163: Fe_hcp_a3

164: Fe_cbcc_a12

165: Fe_cub_a13

166: Fe_orthorhombic_a20

167: Fe_tetragonal_u

168: Co_hcp_a3

169: Co_fcc_a1

170: Co_bcc_a2

171: Co_cbcc_a12

172: Co_cub_a13

173: Ni_fcc_a1

174: Ni_bcc_a2

175: Ni_cbcc_a12

176: Ni_cub_a13

177: Ni_hcp_a3

178: Cu_fcc_a1

179: Cu_bcc_a2

180: Cu_hcp_a3

181: Cu_hcp_zn

182: Zn_hcp_zn

183: Zn_bct_a5

184: Zn_diamond_a4

185: Zn_rhombohedral_a7

186: Zn_tetragonal_a6

187: Zn_bcc_a2

188: Zn_cbcc_a12

189: Zn_cub_a13

190: Zn_fcc_a1

191: Zn_hcp_a3

192: Ga_orthorhombic

193: Ga_bct_a5

194: Ga_tetragonal_a6

195: Ga_bcc_a2

196: Ga_fcc_a1

197: Ga_hcp_a3

198: Ge_diamond_a4

199: Ge_bct_a5

200: Ge_rhombohedral_a7

201: Ge_bcc_a2

202: Ge_fcc_a1

203: Ge_hcp_a3

204: As_rhombohedral_a7

205: As_red_p

206: As_bcc_a2

207: As_fcc_a1

208: As_hcp_a3

209: Se_hexagonal_a8

210: Rb_bcc_a2

211: Rb_fcc_a1

212: Rb_hcp_a3

213: Sr_fcc_a1

214: Sr_bcc_a2

215: Sr_hcp_a3

216: Y_hcp_a3

217: Y_bcc_a2

218: Y_fcc_a1

219: Zr_hcp_a3

220: Zr_bcc_a2

221: Zr_fcc_a1

222: Zr_cbcc_a12

223: Zr_cub_a13

224: Zr_omega

225: Zr_orthorhombic_a2

0    226: Zr_tetragonal_

u

227: Nb_bcc_a2

228: Nb_fcc_a1

229: Nb_hcp_a3

230: Mo_bcc_a2

231: Mo_fcc_a1

232: Mo_hcp_a3

233: Tc_hcp_a3

234: Tc_bcc_a2

235: Tc_fcc_a1

236: Ru_hcp_a3

237: Ru_bcc_a2

238: Ru_fcc_a1

239: Rh_fcc_a1

240: Rh_bcc_a2

241: Rh_hcp_a3

242: Pd_fcc_a1

243: Pd_bcc_a2

244: Pd_hcp_a3

245: Ag_fcc_a1

246: Ag_bct_a5

247: Ag_bcc_a2

248: Ag_cub_a13

249: Ag_hcp_a3

250: Cd_hcp_a3

251: Cd_bct_a5

252: Cd_rhombo_a10

253: Cd_tetragonal_a6

254: Cd_fcc_a1

255: In_tetragonal_a6

256: In_bct_a5

257: In_rhombohedral_a7

258: In_tet_alpha1

259: In_bcc_a2

260: In_fcc_a1

261: In_hcp_a3

262: In_hcp_zn

263: Sn_bct_a5

264: Sn_diamond_a4

265: Sn_rhombohedral_a7

266: Sn_tetragonal_a6

267: Sn_bcc_a2

268: Sn_cbcc_a12

269: Sn_cub_a13

270: Sn_fcc_a1

271: Sn_hcp_a3

272: Sn_hcp_zn

273: Sb_rhombohedral_a7

274: Sb_bct_a5

275: Sb_bcc_a2

276: Sb_fcc_a1

277: Sb_hcp_a3

278: Te_hexagonal_a8

279: Cs_bcc_a2

280: Cs_fcc_a1

281: Cs_hcp_a3

282: Ba_bcc_a2

283: Ba_fcc_a1

284: Ba_hcp_a3

285: La_dhcp

286: La_fcc_a1

287: La_bcc_a2

288: Ce_fcc_a1

289: Ce_bcc_a2

290: Ce_dhcp

291: Ce_hcp_a3

292: Pr_dhcp

293: Pr_bcc_a2

294: Nd_dhcp

295: Nd_bcc_a2

296: Nd_fcc_a1

297: Nd_hcp_a3

298: Sm_rhomb_c19

299: Sm_bcc_a2

300: Sm_hcp_a3

301: Eu_bcc_a2

302: Gd_hcp_a3

303: Gd_bcc_a2

304: Gd_fcc_a1

305: Tb_hcp_a3

306: Tb_bcc_a2

307: Dy_hcp_a3

308: Dy_bcc_a2

309: Ho_hcp_a3

310: Ho_bcc_a2

311: Er_hcp_a3

312: Er_bcc_a2

313: Tm_hcp_a3

314: Yb_fcc_a1

315: Yb_bcc_a2

316: Lu_hcp_a3

317: Hf_hcp_a3

318: Hf_bcc_a2

319: Hf_fcc_a1

320: Ta_bcc_a2

321: Ta_fcc_a1

322: Ta_hcp_a3

323: W_bcc_a2

324: W_fcc_a1

325: W_hcp_a3

326: Re_hcp_a3

327: Re_bcc_a2

328: Re_fcc_a1

329: Os_hcp_a3

330: Os_bcc_a2

331: Os_fcc_a1

332: Ir_fcc_a1

333: Ir_bcc_a2

334: Ir_hcp_a3

335: Pt_fcc_a1

336: Pt_bcc_a2

337: Pt_hcp_a3

338: Au_fcc_a1

339: Au_bcc_a2

340: Au_hcp_a3

341: Hg_rhombo_a10

342: Hg_tetragonal_a6

343: Hg_hcp_a3

344: Tl_hcp_a3

345: Tl_bcc_a2

346: Tl_fcc_a1

347: Pb_fcc_a1

348: Pb_bct_a5

349: Pb_rhombohedral_a7

350: Pb_tetragonal_a6

351: Pb_tet_alpha1

352: Pb_bcc_a2

353: Pb_hcp_a3

354: Bi_rhombohedral_a7

355: Bi_bct_a5

356: Bi_tetragonal_a6

357: Bi_tet_alpha1

358: Bi_bcc_a2

359: Bi_fcc_a1

360: Bi_hcp_a3

361: Th_fcc_a1

362: Th_bcc_a2

363: Pa_bct_aa

364: Pa_bcc_a2

365: U_orthorhombic_a20

366: U_tetragonal_u

367: U_bcc_a2

368: U_fcc_a1

369: U_hcp_a3

370: Np_ortho_ac

371: Np_tetrag_ad

372: Np_bcc_a2

373: Pu_alpha_pu

374: Pu_beta_pu

375: Pu_gamma_pu

376: Pu_fcc_a1

377: Pu_tetragonal_a6

378: Pu_bcc_a2

379: Am_dhcp

380: Am_fcc_a1

381: Am_bcc_a2

 


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