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  1. Third-Parties
  2. MatprojStructure
  3. mp-1237561

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-1237561
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Y', 'Tc', 'Cl', 'O']
  • Chemical System: Cl-O-Tc-Y
  • Density: 2.455191036262184
  • Atomic Density: 0.0415017506225104
  • Unit Cell Volume: 963.8147644380125
  • Molar Volume: 14.510570445029883
  • Full Formula: Y2 Tc4 Cl16 O18
  • Reduced Formula: YTc2Cl8O9
  • Formula Anonymous: AB2C8D9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -198.18363752
  • Final energy per atom: -4.954590938
  • 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.