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  1. Third-Parties
  2. MatprojStructure
  3. mp-11820

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-11820
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ba', 'Na']
  • Chemical System: Ba-Na
  • Density: 2.2177560879371154
  • Atomic Density: 0.021857877153380584
  • Unit Cell Volume: 549.0011640102962
  • Molar Volume: 27.55135239228208
  • Full Formula: Ba4 Na8
  • Reduced Formula: BaNa2
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -18.38546865
  • Final energy per atom: -1.5321223875
  • 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.