Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-640564

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-640564
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Ag', 'Sb', 'C', 'N', 'O', 'F']
  • Chemical System: Ag-C-F-N-O-Sb
  • Density: 2.528851476109752
  • Atomic Density: 0.060467917450006986
  • Unit Cell Volume: 661.5078158276374
  • Molar Volume: 9.95923295188547
  • Full Formula: Ag2 Sb2 C12 N8 O4 F12
  • Reduced Formula: AgSbC6N4(OF3)2
  • Formula Anonymous: ABC2D4E6F6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -271.30193405
  • Final energy per atom: -6.78254835125
  • 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.