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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227882

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-1227882
  • 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: 9
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Co', 'Cu', 'S', 'O']
  • Chemical System: Ba-Co-Cu-O-S-Sr
  • Density: 5.536876714946143
  • Atomic Density: 0.05917847955262934
  • Unit Cell Volume: 152.08231215193706
  • Molar Volume: 10.17623434316915
  • Full Formula: Ba1 Sr1 Co1 Cu2 S2 O2
  • Reduced Formula: BaSrCoCu2(SO)2
  • Formula Anonymous: ABCD2E2F2
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -50.68407522000001
  • Final energy per atom: -5.631563913333334
  • 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.