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  1. Third-Parties
  2. MatprojStructure
  3. mp-15572

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-15572
  • 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: 22
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Al', 'As']
  • Chemical System: Al-As-Ca-Na
  • Density: 3.0466172756169905
  • Atomic Density: 0.039121920497455547
  • Unit Cell Volume: 562.3445812541554
  • Molar Volume: 15.393264654253551
  • Full Formula: Na6 Ca6 Al2 As8
  • Reduced Formula: Na3Ca3AlAs4
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -83.67612845
  • Final energy per atom: -3.8034603840909087
  • 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.