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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213265

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-1213265
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'B', 'P', 'O']
  • Chemical System: B-Mg-Na-O-P
  • Density: 2.2880635979737987
  • Atomic Density: 0.07446955563356263
  • Unit Cell Volume: 1289.117400839355
  • Molar Volume: 8.086715045854103
  • Full Formula: Na6 Mg6 B6 P12 O66
  • Reduced Formula: NaMgBP2O11
  • Formula Anonymous: ABCD2E11
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -625.07538696
  • Final energy per atom: -6.511201947499999
  • 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.