Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233367

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-1233367
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Mg', 'Sc', 'Si', 'O']
  • Chemical System: Mg-O-Sc-Si
  • Density: 3.633654579873853
  • Atomic Density: 0.09312301222896238
  • Unit Cell Volume: 246.9851377170843
  • Molar Volume: 6.466866369392464
  • Full Formula: Mg1 Sc4 Si4 O14
  • Reduced Formula: MgSc4(Si2O7)2
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -189.25126469
  • Final energy per atom: -8.228315856086956
  • 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.