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  1. Third-Parties
  2. MatprojStructure
  3. mp-672972

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-672972
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Sn', 'P', 'O']
  • Chemical System: O-P-Sn
  • Density: 2.86224014922673
  • Atomic Density: 0.06300963421875448
  • Unit Cell Volume: 825.2706216238035
  • Molar Volume: 9.55749201636778
  • Full Formula: Sn4 P12 O36
  • Reduced Formula: Sn(PO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -385.58853589
  • Final energy per atom: -7.415164151730769
  • 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.