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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041279

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-1041279
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Sn', 'O']
  • Chemical System: Ca-Cu-O-Sn
  • Density: 4.806594332256755
  • Atomic Density: 0.07065495614897477
  • Unit Cell Volume: 735.9710179475434
  • Molar Volume: 8.523309741078064
  • Full Formula: Ca4 Cu8 Sn8 O32
  • Reduced Formula: CaCu2(SnO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -317.28496466
  • Final energy per atom: -6.101633935769231
  • 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.