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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208273

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1208273
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Ti', 'Se']
  • Chemical System: Se-Ti
  • Density: 5.390264044931667
  • Atomic Density: 0.04879669650610508
  • Unit Cell Volume: 409.86381111880695
  • Molar Volume: 12.341287814937544
  • Full Formula: Ti8 Se12
  • Reduced Formula: Ti2Se3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -134.19189878999998
  • Final energy per atom: -6.709594939499999
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.