Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-672339

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-672339
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Ag', 'Hg', 'P', 'I']
  • Chemical System: Ag-Hg-I-P
  • Density: 6.950178012052023
  • Atomic Density: 0.03661595093901025
  • Unit Cell Volume: 628.1415451509151
  • Molar Volume: 16.446768704794376
  • Full Formula: Ag2 Hg7 P8 I6
  • Reduced Formula: Ag2Hg7(P4I3)2
  • Formula Anonymous: A2B6C7D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -65.55432918
  • Final energy per atom: -2.850188225217391
  • 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.