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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194141

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-1194141
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 6
  • Element list: ['Ag', 'Sb', 'C', 'N', 'Cl', 'F']
  • Chemical System: Ag-C-Cl-F-N-Sb
  • Density: 2.5966286406047057
  • Atomic Density: 0.04692257309977818
  • Unit Cell Volume: 596.7277186709176
  • Molar Volume: 12.834208275821235
  • Full Formula: Ag2 Sb2 C4 N4 Cl4 F12
  • Reduced Formula: AgSbC2N2(ClF3)2
  • Formula Anonymous: ABC2D2E2F6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -153.91921835
  • Final energy per atom: -5.497114941071429
  • 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.