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  1. Third-Parties
  2. MatprojStructure
  3. mp-567645

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-567645
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'C', 'N', 'Cl']
  • Chemical System: Ag-C-Cl-H-N
  • Density: 2.239614795293155
  • Atomic Density: 0.08577668816400251
  • Unit Cell Volume: 1119.18520118719
  • Molar Volume: 7.0207196021439335
  • Full Formula: Ag8 H48 C24 N12 Cl4
  • Reduced Formula: Ag2H12C6N3Cl
  • Formula Anonymous: AB2C3D6E12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -525.9351143
  • Final energy per atom: -5.478490773958334
  • 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.