Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173862

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-1173862
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['Na', 'Cd', 'Fe', 'P', 'O']
  • Chemical System: Cd-Fe-Na-O-P
  • Density: 3.2256015804140232
  • Atomic Density: 0.06624684436365931
  • Unit Cell Volume: 1177.4145734674128
  • Molar Volume: 9.090456787559129
  • Full Formula: Na6 Cd6 Fe6 P12 O48
  • Reduced Formula: NaCdFe(PO4)2
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -492.71519296
  • Final energy per atom: -6.316861448205128
  • 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.