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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220698

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-1220698
  • 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: 7
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-Na-S-Zr
  • Density: 4.201509557394932
  • Atomic Density: 0.05884807875794595
  • Unit Cell Volume: 118.95035739046666
  • Molar Volume: 10.233368509395664
  • Full Formula: Na1 Zr2 S1 N2 Cl1
  • Reduced Formula: NaZr2SN2Cl
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -54.10048747
  • Final energy per atom: -7.728641067142857
  • 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.