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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216678

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-1216678
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Mo', 'P']
  • Chemical System: Mo-P-Ti
  • Density: 5.7646807689256025
  • Atomic Density: 0.06748958586967842
  • Unit Cell Volume: 59.26840339076835
  • Molar Volume: 8.923066695991707
  • Full Formula: Ti1 Mo1 P2
  • Reduced Formula: TiMoP2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -32.98257572
  • Final energy per atom: -8.24564393
  • 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.