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  1. Third-Parties
  2. MatprojStructure
  3. mp-262

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-262
  • 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: 23
  • Number of elements: 2
  • Element list: ['Na', 'B']
  • Chemical System: B-Na
  • Density: 2.1460028071792823
  • Atomic Density: 0.10422593147209558
  • Unit Cell Volume: 220.67444900847724
  • Molar Volume: 5.777967800280401
  • Full Formula: Na3 B20
  • Reduced Formula: Na3B20
  • Formula Anonymous: A3B20
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -138.94448138
  • Final energy per atom: -6.041064407826087
  • 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.