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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227981

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-1227981
  • 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: 18
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Co', 'Cu', 'S', 'O']
  • Chemical System: Ba-Co-Cu-O-S-Sr
  • Density: 5.438316078818269
  • Atomic Density: 0.061120637737681574
  • Unit Cell Volume: 294.49954493689444
  • Molar Volume: 9.852876185366243
  • Full Formula: Ba1 Sr3 Co2 Cu4 S4 O4
  • Reduced Formula: BaSr3Co2Cu4(SO)4
  • Formula Anonymous: AB2C3D4E4F4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -102.2329334
  • Final energy per atom: -5.67960741111111
  • 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.