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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195664

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-1195664
  • 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: 40
  • Number of elements: 3
  • Element list: ['Sr', 'P', 'Br']
  • Chemical System: Br-P-Sr
  • Density: 3.2136533452219957
  • Atomic Density: 0.04100571893709131
  • Unit Cell Volume: 975.4736909104257
  • Molar Volume: 14.68609968584829
  • Full Formula: Sr8 P28 Br4
  • Reduced Formula: Sr2P7Br
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -202.82520801
  • Final energy per atom: -5.07063020025
  • 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.