Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1208127

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-1208127
  • 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: 50
  • Number of elements: 4
  • Element list: ['Zn', 'Ag', 'P', 'O']
  • Chemical System: Ag-O-P-Zn
  • Density: 2.4699940266095584
  • Atomic Density: 0.05850669960600697
  • Unit Cell Volume: 854.6029828499577
  • Molar Volume: 10.293078913276624
  • Full Formula: Zn4 Ag2 P6 O38
  • Reduced Formula: Zn2AgP3O19
  • Formula Anonymous: AB2C3D19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -286.05453754
  • Final energy per atom: -5.7210907508
  • 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.