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  1. Third-Parties
  2. MatprojStructure
  3. mp-6011

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-6011
  • 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: 56
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Mo', 'N']
  • Chemical System: Ba-Li-Mo-N
  • Density: 5.278220196652226
  • Atomic Density: 0.05259031721004923
  • Unit Cell Volume: 1064.8348017436797
  • Molar Volume: 11.451044754012738
  • Full Formula: Ba16 Li4 Mo8 N28
  • Reduced Formula: Ba4LiMo2N7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -413.82982884
  • Final energy per atom: -7.389818372142857
  • 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.