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  1. Third-Parties
  2. MatprojStructure
  3. mp-29370

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-29370
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Na', 'B', 'P']
  • Chemical System: B-Na-P
  • Density: 1.6867849048507437
  • Atomic Density: 0.04300378831942819
  • Unit Cell Volume: 558.0903668702441
  • Molar Volume: 14.003744775386046
  • Full Formula: Na12 B4 P8
  • Reduced Formula: Na3BP2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -93.87649096
  • Final energy per atom: -3.9115204566666666
  • 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.