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  1. Third-Parties
  2. MatprojStructure
  3. mp-559064

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-559064
  • 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: 60
  • Number of elements: 4
  • Element list: ['Sn', 'P', 'Cl', 'O']
  • Chemical System: Cl-O-P-Sn
  • Density: 2.0167840826248438
  • Atomic Density: 0.032120020666149184
  • Unit Cell Volume: 1867.9938168045178
  • Molar Volume: 18.748869506010767
  • Full Formula: Sn4 P8 Cl40 O8
  • Reduced Formula: SnP2(Cl5O)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -265.04313041
  • Final energy per atom: -4.417385506833333
  • 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.