Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1183016

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-1183016
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ag', 'As', 'C', 'Se', 'N']
  • Chemical System: Ag-As-C-N-Se
  • Density: 3.6967641259834223
  • Atomic Density: 0.03394082795418941
  • Unit Cell Volume: 824.9651433899061
  • Molar Volume: 17.743057912812848
  • Full Formula: Ag6 As4 C6 Se10 N2
  • Reduced Formula: Ag3As2C3Se5N
  • Formula Anonymous: AB2C3D3E5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -138.64747898000002
  • Final energy per atom: -4.951695677857144
  • 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.