Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224150

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-1224150
  • 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: 25
  • Number of elements: 4
  • Element list: ['K', 'Mg', 'Si', 'O']
  • Chemical System: K-Mg-O-Si
  • Density: 3.0281645511739157
  • Atomic Density: 0.08276337857829114
  • Unit Cell Volume: 302.06596721218807
  • Molar Volume: 7.276335093429366
  • Full Formula: K3 Mg4 Si4 O14
  • Reduced Formula: K3Mg4(Si2O7)2
  • Formula Anonymous: A3B4C4D14
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -173.74898793
  • Final energy per atom: -6.9499595172
  • 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.