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  1. Third-Parties
  2. MatprojStructure
  3. mp-773030

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-773030
  • 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: 20
  • Number of elements: 3
  • Element list: ['Sc', 'P', 'O']
  • Chemical System: O-P-Sc
  • Density: 2.503402699160374
  • Atomic Density: 0.0688711560350882
  • Unit Cell Volume: 290.39733251770133
  • Molar Volume: 8.744068063750612
  • Full Formula: Sc2 P4 O14
  • Reduced Formula: ScP2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -161.1240796
  • Final energy per atom: -8.05620398
  • 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.