Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-938238

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-938238
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 3
  • Element list: ['Mg', 'Mo', 'Se']
  • Chemical System: Mg-Mo-Se
  • Density: 6.184813929139613
  • Atomic Density: 0.04641587511131703
  • Unit Cell Volume: 667.8749442007535
  • Molar Volume: 12.97431265823898
  • Full Formula: Mg3 Mo12 Se16
  • Reduced Formula: Mg3(Mo3Se4)4
  • Formula Anonymous: A3B12C16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -110.65746898
  • Final energy per atom: -3.569595773548387
  • 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.