Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218601

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-1218601
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Ni', 'W', 'O']
  • Chemical System: Ca-Ni-O-Sr-W
  • Density: 6.435141613884276
  • Atomic Density: 0.07908861944710274
  • Unit Cell Volume: 252.88088399844565
  • Molar Volume: 7.614421394759357
  • Full Formula: Sr3 Ca1 Ni2 W2 O12
  • Reduced Formula: Sr3CaNi2(WO6)2
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -155.78229496
  • Final energy per atom: -7.789114748
  • 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.