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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187244

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-1187244
  • 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: 2
  • Number of elements: 2
  • Element list: ['Ta', 'P']
  • Chemical System: P-Ta
  • Density: 11.02482234135369
  • Atomic Density: 0.06265809512420512
  • Unit Cell Volume: 31.91925953119808
  • Molar Volume: 9.611113692592323
  • Full Formula: Ta1 P1
  • Reduced Formula: TaP
  • Formula Anonymous: AB
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -19.12802404
  • Final energy per atom: -9.56401202
  • 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.