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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191653

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-1191653
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Li', 'As']
  • Chemical System: As-Li
  • Density: 2.549062753030389
  • Atomic Density: 0.06413234672295684
  • Unit Cell Volume: 374.22613121700954
  • Molar Volume: 9.390176826079424
  • Full Formula: Li18 As6
  • Reduced Formula: Li3As
  • Formula Anonymous: AB3
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -78.35748515
  • Final energy per atom: -3.2648952145833334
  • 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.