Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1048620

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-1048620
  • 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: 15
  • Number of elements: 5
  • Element list: ['Sr', 'Mg', 'Cr', 'S', 'O']
  • Chemical System: Cr-Mg-O-S-Sr
  • Density: 4.278430327846076
  • Atomic Density: 0.06049107332087178
  • Unit Cell Volume: 247.97047194770826
  • Molar Volume: 9.955420575951536
  • Full Formula: Sr4 Mg1 Cr2 S2 O6
  • Reduced Formula: Sr4MgCr2(SO3)2
  • Formula Anonymous: AB2C2D4E6
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -104.37415236
  • Final energy per atom: -6.9582768239999995
  • 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.