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  1. Third-Parties
  2. MatprojStructure
  3. mp-12240

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-12240
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Be', 'F']
  • Chemical System: Be-F-Li-Na
  • Density: 2.333827445742216
  • Atomic Density: 0.08270120537694044
  • Unit Cell Volume: 290.2013325030921
  • Molar Volume: 7.281805304471599
  • Full Formula: Na4 Li2 Be4 F14
  • Reduced Formula: Na2LiBe2F7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -130.83850848
  • Final energy per atom: -5.45160452
  • 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.