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  1. Third-Parties
  2. MatprojStructure
  3. mp-7067

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-7067
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'As']
  • Chemical System: As-Ca-Cd
  • Density: 5.528967297469973
  • Atomic Density: 0.040140765821244845
  • Unit Cell Volume: 124.56164942806615
  • Molar Volume: 15.002555723071758
  • Full Formula: Ca1 Cd2 As2
  • Reduced Formula: Ca(CdAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -16.11234742
  • Final energy per atom: -3.222469484
  • 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.