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  1. Third-Parties
  2. MatprojStructure
  3. mp-1018658

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-1018658
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'Si']
  • Chemical System: Ca-Co-Si
  • Density: 3.7979712574730553
  • Atomic Density: 0.05398704708137609
  • Unit Cell Volume: 111.1377696015869
  • Molar Volume: 11.154788204886758
  • Full Formula: Ca2 Co2 Si2
  • Reduced Formula: CaCoSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -32.131097739999994
  • Final energy per atom: -5.355182956666666
  • 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.