Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-556232

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-556232
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Mg', 'P', 'O']
  • Chemical System: Ca-Mg-Na-O-P
  • Density: 3.0485065035896297
  • Atomic Density: 0.0855860772173313
  • Unit Cell Volume: 654.3120308902289
  • Molar Volume: 7.036355626754332
  • Full Formula: Na8 Ca4 Mg4 P8 O32
  • Reduced Formula: Na2CaMg(PO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -392.1390484
  • Final energy per atom: -7.002483007142857
  • 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.