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  1. Third-Parties
  2. MatprojStructure
  3. mp-28021

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-28021
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Sr', 'Br', 'Cl']
  • Chemical System: Br-Cl-Sr
  • Density: 3.9581126533329796
  • Atomic Density: 0.031138550828154456
  • Unit Cell Volume: 963.4359725204355
  • Molar Volume: 19.339823465885182
  • Full Formula: Sr10 Br16 Cl4
  • Reduced Formula: Sr5(Br4Cl)2
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -127.8205514
  • Final energy per atom: -4.260685046666667
  • 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.