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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219489

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-1219489
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Sc', 'Se', 'O']
  • Chemical System: O-Sc-Se
  • Density: 2.7553962934079115
  • Atomic Density: 0.05944664718987428
  • Unit Cell Volume: 218.68348535246454
  • Molar Volume: 10.130328697538
  • Full Formula: Sc1 Se2 O10
  • Reduced Formula: Sc(SeO5)2
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -77.09960274000001
  • Final energy per atom: -5.930738672307693
  • 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.