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  1. Third-Parties
  2. MatprojStructure
  3. mp-557093

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-557093
  • 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: 80
  • Number of elements: 3
  • Element list: ['Sr', 'Cr', 'O']
  • Chemical System: Cr-O-Sr
  • Density: 3.1905730681747277
  • Atomic Density: 0.06328581634295954
  • Unit Cell Volume: 1264.1063135926488
  • Molar Volume: 9.515782695074542
  • Full Formula: Sr8 Cr16 O56
  • Reduced Formula: SrCr2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -612.54067245
  • Final energy per atom: -7.656758405625
  • 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.