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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227871

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-1227871
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Ga']
  • Chemical System: Ca-Cd-Ga
  • Density: 4.930973220794484
  • Atomic Density: 0.042832917721844145
  • Unit Cell Volume: 420.23754059649946
  • Molar Volume: 14.059609011712968
  • Full Formula: Ca6 Cd4 Ga8
  • Reduced Formula: Ca3(CdGa2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -47.81221947
  • Final energy per atom: -2.656234415
  • 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.