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  1. Third-Parties
  2. MatprojStructure
  3. mp-722867

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-722867
  • 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: 86
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Si', 'O']
  • Chemical System: Ca-Cu-O-Si
  • Density: 3.5153335675115502
  • Atomic Density: 0.08225247314393347
  • Unit Cell Volume: 1045.5612665835438
  • Molar Volume: 7.3215315355464945
  • Full Formula: Ca6 Cu10 Si18 O52
  • Reduced Formula: Ca3Cu5Si9O26
  • Formula Anonymous: A3B5C9D26
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -643.8202571200001
  • Final energy per atom: -7.486282059534885
  • 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.