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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218377

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-1218377
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Br', 'N']
  • Chemical System: Br-Ca-N-Sr
  • Density: 3.75463375650975
  • Atomic Density: 0.04571612587846125
  • Unit Cell Volume: 174.99295590506563
  • Molar Volume: 13.17290265585973
  • Full Formula: Sr1 Ca3 Br2 N2
  • Reduced Formula: SrCa3(BrN)2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -40.40334509
  • Final energy per atom: -5.05041813625
  • 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.