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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219422

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-1219422
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Sc', 'As']
  • Chemical System: As-Sc
  • Density: 4.257862153656715
  • Atomic Density: 0.04753202576107391
  • Unit Cell Volume: 841.5378759799836
  • Molar Volume: 12.669648860057212
  • Full Formula: Sc28 As12
  • Reduced Formula: Sc7As3
  • Formula Anonymous: A3B7
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -268.69205702
  • Final energy per atom: -6.7173014255
  • 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.