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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209888

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-1209888
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Nd', 'W', 'Cl', 'O']
  • Chemical System: Cl-Nd-O-W
  • Density: 6.610119329394711
  • Atomic Density: 0.06319188846756074
  • Unit Cell Volume: 411.44521283529895
  • Molar Volume: 9.529926872008957
  • Full Formula: Nd6 W2 Cl6 O12
  • Reduced Formula: Nd3W(ClO2)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -205.90234039
  • Final energy per atom: -7.919320784230769
  • 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.