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{
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{
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{
"id": "mp-1208537",
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"structure_string": "Tb8 Cu8 O20\n1.0\n0.000000 -3.555265 0.000000\n-10.898777 0.000000 0.000000\n0.000000 0.000000 -12.588034\nTb Cu O\n8 8 20\ndirect\n0.779191 0.957892 0.235289 Tb\n0.220809 0.042108 0.735289 Tb\n0.720809 0.457892 0.235289 Tb\n0.279191 0.542108 0.735289 Tb\n0.780582 0.791784 0.563044 Tb\n0.219418 0.208216 0.063044 Tb\n0.719418 0.291784 0.563044 Tb\n0.280582 0.708216 0.063044 Tb\n0.844686 0.761303 0.847784 Cu\n0.155314 0.238697 0.347784 Cu\n0.655314 0.261303 0.847784 Cu\n0.344686 0.738697 0.347784 Cu\n0.658472 0.988754 0.951188 Cu\n0.341528 0.011246 0.451188 Cu\n0.841528 0.488754 0.951188 Cu\n0.158472 0.511246 0.451188 Cu\n0.775580 0.673744 0.709600 O\n0.224420 0.326256 0.209600 O\n0.724420 0.173744 0.709600 O\n0.275580 0.826256 0.209600 O\n0.722791 0.926864 0.801643 O\n0.277209 0.073136 0.301643 O\n0.777209 0.426864 0.801643 O\n0.222791 0.573136 0.301643 O\n0.273623 0.923313 0.590124 O\n0.726377 0.076687 0.090124 O\n0.226377 0.423313 0.590124 O\n0.773623 0.576687 0.090124 O\n0.652587 0.875359 0.399543 O\n0.347413 0.124641 0.899543 O\n0.847413 0.375359 0.399543 O\n0.152587 0.624641 0.899543 O\n0.780429 0.823282 0.997484 O\n0.219571 0.176718 0.497484 O\n0.719571 0.323282 0.997484 O\n0.280429 0.676718 0.497484 O\n",
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{
"id": "mp-1217731",
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"structure_string": "Tb4 Cr2 Sb2 O14\n1.0\n-3.634176 3.680649 5.141284\n3.634176 -3.680649 5.141284\n3.634176 3.680649 -5.141284\nTb Cr Sb O\n4 2 2 14\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.122331 0.872331 0.250000 O\n0.877669 0.127669 0.750000 O\n0.409900 0.159900 0.250000 O\n0.831805 0.581805 0.250000 O\n0.411899 0.578651 0.242507 O\n0.836145 0.169392 0.257493 O\n0.411899 0.169392 0.833247 O\n0.836145 0.578651 0.666753 O\n0.590100 0.840100 0.750000 O\n0.168195 0.418195 0.750000 O\n0.588101 0.421349 0.757493 O\n0.163855 0.830608 0.742507 O\n0.588101 0.830608 0.166753 O\n0.163855 0.421349 0.333247 O\n",
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{
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"structure_string": "Tb2 Cr1 Ge4\n1.0\n0.000000 0.000000 4.307951\n4.341482 0.000000 0.000000\n2.170741 7.747769 0.000000\nTb Cr Ge\n2 1 4\ndirect\n0.250000 0.599036 0.801929 Tb\n0.750000 0.396818 0.206363 Tb\n0.250000 0.793316 0.413368 Cr\n0.250000 0.947176 0.105648 Ge\n0.750000 0.057099 0.885802 Ge\n0.250000 0.243608 0.512783 Ge\n0.750000 0.747947 0.504107 Ge\n",
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{
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"structure_string": "Tb2 Co1 Te2 S2 O14\n1.0\n-5.313272 0.000000 0.000000\n-0.590391 -7.917196 0.000000\n2.391807 3.412944 7.073253\nTb Co Te S O\n2 1 2 2 14\ndirect\n0.084572 0.252023 0.983701 Tb\n0.915428 0.747977 0.016299 Tb\n0.000000 0.000000 0.500000 Co\n0.517049 0.271533 0.661274 Te\n0.482951 0.728467 0.338726 Te\n0.767429 0.245785 0.250151 S\n0.232571 0.754215 0.749849 S\n0.902759 0.405751 0.255428 O\n0.097241 0.594249 0.744572 O\n0.871135 0.226197 0.428677 O\n0.128865 0.773803 0.571323 O\n0.479661 0.269941 0.215521 O\n0.520339 0.730059 0.784479 O\n0.823840 0.076133 0.087886 O\n0.176160 0.923867 0.912114 O\n0.752974 0.437794 0.895257 O\n0.247026 0.562206 0.104743 O\n0.276323 0.191740 0.749690 O\n0.723677 0.808260 0.250310 O\n0.752279 0.077314 0.667285 O\n0.247721 0.922686 0.332715 O\n",
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{
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{
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"structure_string": "Tb2 Co1 Ge6\n1.0\n4.069809 0.000000 0.000000\n0.000000 3.995671 0.000000\n0.000000 -1.997835 10.763470\nTb Co Ge\n2 1 6\ndirect\n0.500000 0.222358 0.444716 Tb\n0.500000 0.886819 0.773638 Tb\n0.000000 0.445208 0.890416 Co\n0.500000 0.499863 0.999726 Ge\n0.500000 0.616052 0.232103 Ge\n0.000000 0.000842 0.001685 Ge\n0.000000 0.117864 0.235728 Ge\n0.000000 0.338853 0.677705 Ge\n0.000000 0.765142 0.530283 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tb",
"density": 7.709436431962257,
"density_atomic": 0.05141933495646697,
"volume": 175.03143530774267,
"volume_molar": 11.711821564978447,
"formula_full": "Tb2 Co1 Ge6",
"formula_reduced": "Tb2CoGe6",
"formula_anonymous": "AB2C6",
"energy": -48.43955306,
"energy_per_atom": -5.382172562222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.43955306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.730000Z",
"spacegroup": 38
},
{
"id": "mp-1217704",
"created_at": "2022-09-04T14:47:04.480735Z",
"structure_string": "Tb2 Co1 Ge4\n1.0\n0.000000 0.000000 4.120916\n4.148380 0.000000 0.000000\n2.074190 7.986250 0.000000\nTb Co Ge\n2 1 4\ndirect\n0.250000 0.895636 0.208729 Tb\n0.750000 0.103907 0.792187 Tb\n0.250000 0.691487 0.617026 Co\n0.250000 0.547893 0.904215 Ge\n0.750000 0.446031 0.107938 Ge\n0.250000 0.258637 0.482726 Ge\n0.750000 0.757410 0.485180 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tb",
"density": 8.116776625479776,
"density_atomic": 0.05127230535480709,
"volume": 136.52594615279392,
"volume_molar": 11.745406644632935,
"formula_full": "Tb2 Co1 Ge4",
"formula_reduced": "Tb2CoGe4",
"formula_anonymous": "AB2C4",
"energy": -39.46031274,
"energy_per_atom": -5.637187534285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -39.46031274,
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"is_magnetic": false,
"total_magnetization": 0.0028824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.979000Z",
"spacegroup": 38
}
]
}