Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1209084

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-1209084
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Sb', 'P', 'N', 'O', 'F']
  • Chemical System: F-N-O-P-Sb
  • Density: 2.4828122380881505
  • Atomic Density: 0.05102183518204802
  • Unit Cell Volume: 352.7901326123464
  • Molar Volume: 11.80306576294787
  • Full Formula: Sb2 P2 N4 O8 F2
  • Reduced Formula: SbPN2O4F
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -106.74579793
  • Final energy per atom: -5.930322107222222
  • 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.