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  1. Third-Parties
  2. MatprojStructure
  3. mp-570348

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-570348
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Sn
  • Density: 1.5773614431840264
  • Atomic Density: 0.0736095743927742
  • Unit Cell Volume: 1901.9264974006283
  • Molar Volume: 8.181192201800256
  • Full Formula: Sn4 H80 C24 N8 Cl24
  • Reduced Formula: SnH20C6(NCl3)2
  • Formula Anonymous: AB2C6D6E20
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -692.2848521000001
  • Final energy per atom: -4.944891800714286
  • 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.