Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218596

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-1218596
  • 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: 24
  • Number of elements: 4
  • Element list: ['Sr', 'Mg', 'Mo', 'O']
  • Chemical System: Mg-Mo-O-Sr
  • Density: 5.189275709717544
  • Atomic Density: 0.070633576828301
  • Unit Cell Volume: 339.7817451371631
  • Molar Volume: 8.525889570393506
  • Full Formula: Sr6 Mg1 Mo3 O14
  • Reduced Formula: Sr6MgMo3O14
  • Formula Anonymous: AB3C6D14
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -179.93200811999998
  • Final energy per atom: -7.497167004999999
  • 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.