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  1. Third-Parties
  2. MatprojStructure
  3. mp-12527

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-12527
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ti', 'Te', 'P']
  • Chemical System: P-Te-Ti
  • Density: 5.513174213539204
  • Atomic Density: 0.04346744746157972
  • Unit Cell Volume: 115.02860857931516
  • Molar Volume: 13.85436944583159
  • Full Formula: Ti2 Te2 P1
  • Reduced Formula: Ti2Te2P
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -32.90770347
  • Final energy per atom: -6.581540694
  • 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.