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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048622

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-1048622
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cr', 'S', 'O']
  • Chemical System: Ca-Cr-O-S-Sr
  • Density: 4.167158028397533
  • Atomic Density: 0.0574983409171331
  • Unit Cell Volume: 521.7541849291991
  • Molar Volume: 10.473590479209024
  • Full Formula: Sr8 Ca2 Cr4 S4 O12
  • Reduced Formula: Sr4CaCr2(SO3)2
  • Formula Anonymous: AB2C2D4E6
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -211.41311269
  • Final energy per atom: -7.047103756333333
  • 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.