Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221155

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-1221155
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'Ti', 'P']
  • Chemical System: Na-P-Sr-Ti
  • Density: 2.571617365501011
  • Atomic Density: 0.03880823371939429
  • Unit Cell Volume: 566.890009967281
  • Molar Volume: 15.517688343003499
  • Full Formula: Na8 Sr4 Ti2 P8
  • Reduced Formula: Na4Sr2TiP4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -93.29495691
  • Final energy per atom: -4.2406798595454545
  • 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.