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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103590

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-1103590
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Mg', 'Se']
  • Chemical System: Mg-Se
  • Density: 4.36684187600214
  • Atomic Density: 0.043294393957528265
  • Unit Cell Volume: 277.1721440834114
  • Molar Volume: 13.909747220177541
  • Full Formula: Mg4 Se8
  • Reduced Formula: MgSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -48.08820724
  • Final energy per atom: -4.007350603333333
  • 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.