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  1. Third-Parties
  2. MatprojStructure
  3. mp-569782

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-569782
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'C', 'Br', 'N']
  • Chemical System: Br-C-Li-N-Sr
  • Density: 3.8148075038435105
  • Atomic Density: 0.04476122878228593
  • Unit Cell Volume: 804.2674649326617
  • Molar Volume: 13.453921895869035
  • Full Formula: Sr8 Li4 C4 Br12 N8
  • Reduced Formula: Sr2LiCBr3N2
  • Formula Anonymous: ABC2D2E3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -206.3662517
  • Final energy per atom: -5.732395880555555
  • 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.