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  1. Third-Parties
  2. MatprojStructure
  3. mp-569653

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-569653
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sn', 'P', 'Cl']
  • Chemical System: Cl-P-Sn
  • Density: 2.1614608165556755
  • Atomic Density: 0.03054497001163931
  • Unit Cell Volume: 720.2495203503815
  • Molar Volume: 19.71565451760219
  • Full Formula: Sn2 P2 Cl18
  • Reduced Formula: SnPCl9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -80.21526521000001
  • Final energy per atom: -3.6461484186363644
  • 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.