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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224524

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-1224524
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Hf', 'Ti', 'Se']
  • Chemical System: Hf-Se-Ti
  • Density: 5.021171720019271
  • Atomic Density: 0.03911602898070261
  • Unit Cell Volume: 383.47450881069904
  • Molar Volume: 15.395583132865932
  • Full Formula: Hf1 Ti4 Se10
  • Reduced Formula: Hf(Ti2Se5)2
  • Formula Anonymous: AB4C10
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -98.38192872
  • Final energy per atom: -6.558795248
  • 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.