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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195505

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-1195505
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sc', 'Si', 'Mo']
  • Chemical System: Mo-Sc-Si
  • Density: 5.7426530858273175
  • Atomic Density: 0.06351034718309394
  • Unit Cell Volume: 566.8367690734807
  • Molar Volume: 9.482141142511432
  • Full Formula: Sc8 Si16 Mo12
  • Reduced Formula: Sc2Si4Mo3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -292.73375568999995
  • Final energy per atom: -8.13149321361111
  • 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.