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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147678

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-1147678
  • 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: 4
  • Element list: ['Sr', 'Cu', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Sr
  • Density: 4.885991136215882
  • Atomic Density: 0.06124854838102742
  • Unit Cell Volume: 228.57684582018098
  • Molar Volume: 9.832299571471054
  • Full Formula: Sr4 Cu3 Cl1 O6
  • Reduced Formula: Sr4Cu3ClO6
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -79.63825312
  • Final energy per atom: -5.688446651428571
  • 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.