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  1. Third-Parties
  2. MatprojStructure
  3. mp-684697

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-684697
  • 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: 39
  • Number of elements: 2
  • Element list: ['Sc', 'O']
  • Chemical System: O-Sc
  • Density: 4.442346388167345
  • Atomic Density: 0.0867208913279215
  • Unit Cell Volume: 449.7186249219648
  • Molar Volume: 6.944279132496708
  • Full Formula: Sc20 O19
  • Reduced Formula: Sc20O19
  • Formula Anonymous: A19B20
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -343.98406608000005
  • Final energy per atom: -8.820104258461539
  • 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.