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  1. Third-Parties
  2. MatprojStructure
  3. mp-28006

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-28006
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'As']
  • Chemical System: As-Ca-Cu
  • Density: 6.521875454879102
  • Atomic Density: 0.06190640509372704
  • Unit Cell Volume: 113.0739216629025
  • Molar Volume: 9.727815321988745
  • Full Formula: Ca1 Cu4 As2
  • Reduced Formula: Ca(Cu2As)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -30.1271479
  • Final energy per atom: -4.303878271428571
  • 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.