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  1. Third-Parties
  2. MatprojStructure
  3. mp-546757

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-546757
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Sn', 'P', 'O', 'F']
  • Chemical System: F-O-P-Sn
  • Density: 4.185148028632289
  • Atomic Density: 0.05456424455910845
  • Unit Cell Volume: 201.59721973395784
  • Molar Volume: 11.03678940056858
  • Full Formula: Sn3 P1 O4 F3
  • Reduced Formula: Sn3PO4F3
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -69.51075456
  • Final energy per atom: -6.319159505454545
  • 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.