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  1. Third-Parties
  2. MatprojStructure
  3. mp-1049

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-1049
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Sr', 'As']
  • Chemical System: As-Sr
  • Density: 4.295174164342921
  • Atomic Density: 0.031827105695190934
  • Unit Cell Volume: 377.03711154021767
  • Molar Volume: 18.92142131199176
  • Full Formula: Sr6 As6
  • Reduced Formula: SrAs
  • Formula Anonymous: AB
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -51.00005898
  • Final energy per atom: -4.250004915
  • 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.