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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221207

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-1221207
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Si', 'P']
  • Chemical System: Ca-Na-P-Si
  • Density: 2.116287057041327
  • Atomic Density: 0.043255864377465446
  • Unit Cell Volume: 508.601557652865
  • Molar Volume: 13.922137140640038
  • Full Formula: Na8 Ca4 Si2 P8
  • Reduced Formula: Na4Ca2SiP4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -87.85110068
  • Final energy per atom: -3.9932318490909093
  • 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.