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  1. Third-Parties
  2. MatprojStructure
  3. mp-555836

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-555836
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Sn', 'P', 'Cl', 'O']
  • Chemical System: Cl-O-P-Sn
  • Density: 4.104965946061884
  • Atomic Density: 0.053763352775235244
  • Unit Cell Volume: 297.6004875828727
  • Molar Volume: 11.201200165429322
  • Full Formula: Sn4 P2 Cl2 O8
  • Reduced Formula: Sn2PClO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -104.37961903
  • Final energy per atom: -6.523726189375
  • 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.