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  1. Third-Parties
  2. MatprojStructure
  3. mp-2699

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-2699
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ca', 'Si']
  • Chemical System: Ca-Si
  • Density: 2.4258733436285653
  • Atomic Density: 0.045534865026062445
  • Unit Cell Volume: 131.76716339371657
  • Molar Volume: 13.225340091714672
  • Full Formula: Ca2 Si4
  • Reduced Formula: CaSi2
  • Formula Anonymous: AB2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -27.66290228
  • Final energy per atom: -4.610483713333333
  • 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.