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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041231

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-1041231
  • 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: 38
  • Number of elements: 3
  • Element list: ['Sn', 'P', 'O']
  • Chemical System: O-P-Sn
  • Density: 3.8757343362458374
  • Atomic Density: 0.06749387921894201
  • Unit Cell Volume: 563.0140160818521
  • Molar Volume: 8.922499091310044
  • Full Formula: Sn6 P6 O26
  • Reduced Formula: Sn3P3O13
  • Formula Anonymous: A3B3C13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -274.03313723
  • Final energy per atom: -7.211398348157895
  • 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.