Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1211361

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-1211361
  • 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: 16
  • Number of elements: 4
  • Element list: ['Mn', 'Ag', 'Ge', 'Se']
  • Chemical System: Ag-Ge-Mn-Se
  • Density: 5.203132791166355
  • Atomic Density: 0.03802932476282258
  • Unit Cell Volume: 420.7279540140976
  • Molar Volume: 15.835518504623142
  • Full Formula: Mn2 Ag4 Ge2 Se8
  • Reduced Formula: MnAg2GeSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -74.76661448
  • Final energy per atom: -4.672913405
  • 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.