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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103730

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-1103730
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Na', 'Mg', 'Ge', 'Se']
  • Chemical System: Ge-Mg-Na-Se
  • Density: 3.773932717271349
  • Atomic Density: 0.040181064112635195
  • Unit Cell Volume: 323.53548336994055
  • Molar Volume: 14.987509397757085
  • Full Formula: Na4 Mg1 Ge2 Se6
  • Reduced Formula: Na4Mg(GeSe3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -51.39764092
  • Final energy per atom: -3.953664686153846
  • 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.