Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1194598

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-1194598
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Y', 'Mn', 'Si', 'O']
  • Chemical System: Mn-O-Si-Y
  • Density: 2.8993014728298014
  • Atomic Density: 0.07376796555562358
  • Unit Cell Volume: 1165.817700844048
  • Molar Volume: 8.163625924398172
  • Full Formula: Y4 Mn2 Si24 O56
  • Reduced Formula: Y2Mn(Si3O7)4
  • Formula Anonymous: AB2C12D28
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -736.0292599700001
  • Final energy per atom: -8.558479767093024
  • 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.