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  1. Third-Parties
  2. MatprojStructure
  3. mp-1977495

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-1977495
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 1
  • Element list: ['Sc']
  • Chemical System: Sc
  • Density: 3.1771743534142263
  • Atomic Density: 0.04256034485950269
  • Unit Cell Volume: 70.48815064594508
  • Molar Volume: 14.149652170065538
  • Full Formula: Sc3
  • Reduced Formula: Sc
  • Formula Anonymous: A
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -18.8014401
  • Final energy per atom: -6.2671467000000005
  • 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.