Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218075

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-1218075
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Zn', 'Si', 'O']
  • Chemical System: Ca-O-Si-Sr-Zn
  • Density: 3.6435794966460473
  • Atomic Density: 0.07288261237865079
  • Unit Cell Volume: 329.2966486342663
  • Molar Volume: 8.262794874465891
  • Full Formula: Sr2 Ca2 Zn2 Si4 O14
  • Reduced Formula: SrCaZnSi2O7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -176.90994145
  • Final energy per atom: -7.371247560416666
  • 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.