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  1. Third-Parties
  2. MatprojStructure
  3. mp-754613

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-754613
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['K', 'Er', 'P', 'C', 'O']
  • Chemical System: C-Er-K-O-P
  • Density: 3.283822308770372
  • Atomic Density: 0.059262345032655636
  • Unit Cell Volume: 404.97891176555964
  • Molar Volume: 10.161833381182586
  • Full Formula: K4 Er2 P2 C2 O14
  • Reduced Formula: K2ErPCO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -179.20506193
  • Final energy per atom: -7.466877580416667
  • 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.