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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198359

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-1198359
  • 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: 176
  • Number of elements: 6
  • Element list: ['Sn', 'H', 'W', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Sn-W
  • Density: 3.2092983756224958
  • Atomic Density: 0.08399252545677045
  • Unit Cell Volume: 2095.4245516832834
  • Molar Volume: 7.169853183066266
  • Full Formula: Sn4 H72 W12 C16 N24 O48
  • Reduced Formula: SnH18W3C4(NO2)6
  • Formula Anonymous: AB3C4D6E12F18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1157.79853316
  • Final energy per atom: -6.578400756590909
  • 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.