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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214079

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-1214079
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Cu']
  • Chemical System: Ca-Cd-Cu
  • Density: 7.031588630866442
  • Atomic Density: 0.04233256016608759
  • Unit Cell Volume: 921.2766685262449
  • Molar Volume: 14.225789171202331
  • Full Formula: Ca6 Cd32 Cu1
  • Reduced Formula: Ca6Cd32Cu
  • Formula Anonymous: AB6C32
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -52.84268871
  • Final energy per atom: -1.3549407361538461
  • 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.