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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224556

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-1224556
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Hf', 'Ti', 'Te']
  • Chemical System: Hf-Te-Ti
  • Density: 6.273096167042323
  • Atomic Density: 0.02891744125649046
  • Unit Cell Volume: 829.9489497402627
  • Molar Volume: 20.825289162291778
  • Full Formula: Hf3 Ti1 Te20
  • Reduced Formula: Hf3TiTe20
  • Formula Anonymous: AB3C20
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -119.22974513
  • Final energy per atom: -4.967906047083333
  • 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.