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  1. Third-Parties
  2. MatprojStructure
  3. mp-773025

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-773025
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 111
  • Number of elements: 6
  • Element list: ['H', 'Pt', 'W', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Pt-W
  • Density: 3.239930555173032
  • Atomic Density: 0.10013959915529538
  • Unit Cell Volume: 1108.45260952026
  • Molar Volume: 6.0137456219102
  • Full Formula: H48 Pt1 W6 C8 N24 O24
  • Reduced Formula: H48PtW6C8(NO)24
  • Formula Anonymous: AB6C8D24E24F48
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -730.92379319
  • Final energy per atom: -6.584899037747747
  • 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.