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  1. Third-Parties
  2. MatprojStructure
  3. mp-707027

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-707027
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ca', 'Sc', 'Si', 'H', 'O']
  • Chemical System: Ca-H-O-Sc-Si
  • Density: 2.906714317263069
  • Atomic Density: 0.08354296204698887
  • Unit Cell Volume: 359.0966763080109
  • Molar Volume: 7.20843577058333
  • Full Formula: Ca2 Sc2 Si6 H2 O18
  • Reduced Formula: CaScSi3HO9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -242.75591921000003
  • Final energy per atom: -8.091863973666667
  • 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.