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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048627

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-1048627
  • 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: 13
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cr', 'S', 'O']
  • Chemical System: Ca-Cr-O-S-Sr
  • Density: 4.080852316331594
  • Atomic Density: 0.05797602717408967
  • Unit Cell Volume: 224.23061105866682
  • Molar Volume: 10.387294634585418
  • Full Formula: Sr3 Ca1 Cr2 S2 O5
  • Reduced Formula: Sr3CaCr2S2O5
  • Formula Anonymous: AB2C2D3E5
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -92.30497563
  • Final energy per atom: -7.100382740769231
  • 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.