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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219398

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-1219398
  • 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: 5
  • Number of elements: 2
  • Element list: ['Sc', 'Si']
  • Chemical System: Sc-Si
  • Density: 3.1341891593182436
  • Atomic Density: 0.054184733075812244
  • Unit Cell Volume: 92.27691484618518
  • Molar Volume: 11.114091402045219
  • Full Formula: Sc2 Si3
  • Reduced Formula: Sc2Si3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -30.69197291
  • Final energy per atom: -6.138394582
  • 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.