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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048631

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-1048631
  • 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: 13
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Mn', 'S', 'O']
  • Chemical System: Ca-Mn-O-S-Sr
  • Density: 4.072498754127556
  • Atomic Density: 0.05724610654240468
  • Unit Cell Volume: 227.0896797211935
  • Molar Volume: 10.519738587879576
  • Full Formula: Sr3 Ca1 Mn2 S2 O5
  • Reduced Formula: Sr3CaMn2S2O5
  • Formula Anonymous: AB2C2D3E5
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -90.38091338
  • Final energy per atom: -6.952377952307692
  • 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.