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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228203

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-1228203
  • 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: 17
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Cu', 'C', 'O']
  • Chemical System: Ba-C-Ca-Cu-O
  • Density: 5.088600504653549
  • Atomic Density: 0.059709173213670926
  • Unit Cell Volume: 284.7133712464085
  • Molar Volume: 10.085788222941227
  • Full Formula: Ba4 Ca1 Cu2 C1 O9
  • Reduced Formula: Ba4CaCu2CO9
  • Formula Anonymous: ABC2D4E9
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -113.25279017
  • Final energy per atom: -6.661928833529411
  • 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.