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  1. Third-Parties
  2. MatprojStructure
  3. mp-18073

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-18073
  • 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: 24
  • Number of elements: 3
  • Element list: ['K', 'Ta', 'As']
  • Chemical System: As-K-Ta
  • Density: 3.1023093177425123
  • Atomic Density: 0.029720783411932593
  • Unit Cell Volume: 807.5157261959738
  • Molar Volume: 20.26238903777406
  • Full Formula: K14 Ta2 As8
  • Reduced Formula: K7TaAs4
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -87.62020817
  • Final energy per atom: -3.6508420070833334
  • 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.