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  1. Third-Parties
  2. MatprojStructure
  3. mp-728466

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-728466
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['K', 'As']
  • Chemical System: As-K
  • Density: 2.603354715179927
  • Atomic Density: 0.027500056654042197
  • Unit Cell Volume: 145.45424579741893
  • Molar Volume: 21.89864855829238
  • Full Formula: K2 As2
  • Reduced Formula: KAs
  • Formula Anonymous: AB
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -12.91001649
  • Final energy per atom: -3.2275041225
  • 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.