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  1. Third-Parties
  2. MatprojStructure
  3. mp-10680

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-10680
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Ba', 'Se']
  • Chemical System: Ba-Se
  • Density: 5.550995147025813
  • Atomic Density: 0.03091158890272522
  • Unit Cell Volume: 64.70065341169429
  • Molar Volume: 19.481822105459862
  • Full Formula: Ba1 Se1
  • Reduced Formula: BaSe
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -9.57988334
  • Final energy per atom: -4.78994167
  • 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.