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  1. Third-Parties
  2. MatprojStructure
  3. mp-15900

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-15900
  • 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: 14
  • Number of elements: 5
  • Element list: ['Sr', 'Sc', 'Cu', 'S', 'O']
  • Chemical System: Cu-O-S-Sc-Sr
  • Density: 4.72131324766085
  • Atomic Density: 0.06379160816475217
  • Unit Cell Volume: 219.4646036174967
  • Molar Volume: 9.44033382015836
  • Full Formula: Sr3 Sc2 Cu2 S2 O5
  • Reduced Formula: Sr3Sc2Cu2S2O5
  • Formula Anonymous: A2B2C2D3E5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -97.0691848
  • Final energy per atom: -6.9335132
  • 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.