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  1. Third-Parties
  2. MatprojStructure
  3. mp-5207

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-5207
  • 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: 104
  • Number of elements: 3
  • Element list: ['Sc', 'P', 'O']
  • Chemical System: O-P-Sc
  • Density: 2.420141099496685
  • Atomic Density: 0.06721764862353082
  • Unit Cell Volume: 1547.2127057356306
  • Molar Volume: 8.959166057308103
  • Full Formula: Sc8 P24 O72
  • Reduced Formula: Sc(PO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -846.1769230000001
  • Final energy per atom: -8.136316567307693
  • 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.