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{
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{
"id": "mp-1213260",
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"structure_string": "Dy8 Fe2\n1.0\n0.000000 5.280853 5.280853\n5.280853 0.000000 5.280853\n5.280853 5.280853 0.000000\nDy Fe\n8 2\ndirect\n0.384489 0.384489 0.384489 Dy\n0.384489 0.384489 0.846533 Dy\n0.384489 0.846533 0.384489 Dy\n0.865511 0.865511 0.403467 Dy\n0.865511 0.865511 0.865511 Dy\n0.846533 0.384489 0.384489 Dy\n0.865511 0.403467 0.865511 Dy\n0.403467 0.865511 0.865511 Dy\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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},
{
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{
"id": "mp-1214424",
"created_at": "2022-09-04T14:41:20.513800Z",
"structure_string": "Ba1 Na3 P2 O8\n1.0\n2.811370 -4.869435 0.000000\n2.811370 4.869435 0.000000\n0.000000 0.000000 7.138223\nBa Na P O\n1 3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.668871 Na\n0.666667 0.333333 0.331129 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.220719 P\n0.666667 0.333333 0.779281 P\n0.333333 0.666667 0.003547 O\n0.666667 0.333333 0.996453 O\n0.184056 0.815944 0.297834 O\n0.815944 0.184056 0.702166 O\n0.184056 0.368112 0.297834 O\n0.815944 0.631888 0.702166 O\n0.631888 0.815944 0.297834 O\n0.368112 0.184056 0.702166 O\n",
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{
"id": "mp-1043251",
"created_at": "2022-09-04T14:41:20.246066Z",
"structure_string": "Zn2 W4 O10\n1.0\n1.898349 -5.724714 0.000000\n1.898349 5.724714 0.000000\n0.000000 0.000000 10.931045\nZn W O\n2 4 10\ndirect\n0.090878 0.909122 0.750000 Zn\n0.909122 0.090878 0.250000 Zn\n0.810246 0.189754 0.623095 W\n0.189754 0.810246 0.376905 W\n0.189754 0.810246 0.123095 W\n0.810246 0.189754 0.876905 W\n0.336041 0.663959 0.250000 O\n0.663959 0.336041 0.750000 O\n0.741896 0.258104 0.087788 O\n0.258104 0.741896 0.912212 O\n0.258104 0.741896 0.587788 O\n0.741896 0.258104 0.412212 O\n0.966857 0.033143 0.620222 O\n0.033143 0.966857 0.379778 O\n0.966857 0.033143 0.879778 O\n0.033143 0.966857 0.120222 O\n",
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"formula_full": "Zn2 W4 O10",
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{
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"structure_string": "Pm1 Dy1 Zn2\n1.0\n0.000000 3.614402 3.614402\n3.614402 0.000000 3.614402\n3.614402 3.614402 0.000000\nPm Dy Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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"structure_string": "Bi6 Te4 Cl20\n1.0\n7.013981 0.000000 0.000000\n-1.608918 9.861290 0.000000\n-1.285719 -1.407491 15.095590\nBi Te Cl\n6 4 20\ndirect\n0.087138 0.704678 0.964648 Bi\n0.453451 0.536534 0.731417 Bi\n0.579227 0.009809 0.840897 Bi\n0.420773 0.990191 0.159103 Bi\n0.546549 0.463466 0.268583 Bi\n0.912862 0.295322 0.035352 Bi\n0.067174 0.172614 0.453888 Te\n0.171852 0.924498 0.422269 Te\n0.828148 0.075502 0.577731 Te\n0.932826 0.827386 0.546112 Te\n0.096302 0.448801 0.900098 Cl\n0.232768 0.748217 0.811657 Cl\n0.183111 0.516722 0.609661 Cl\n0.239962 0.983486 0.980679 Cl\n0.077464 0.918778 0.198268 Cl\n0.270492 0.306811 0.099565 Cl\n0.370781 0.239860 0.315136 Cl\n0.348134 0.599064 0.357513 Cl\n0.432804 0.059799 0.687317 Cl\n0.570811 0.262082 0.896006 Cl\n0.429189 0.737918 0.103994 Cl\n0.567196 0.940202 0.312683 Cl\n0.651866 0.400936 0.642487 Cl\n0.629219 0.760140 0.684864 Cl\n0.729508 0.693189 0.900435 Cl\n0.922536 0.081222 0.801732 Cl\n0.760038 0.016514 0.019321 Cl\n0.816889 0.483278 0.390339 Cl\n0.767232 0.251783 0.188343 Cl\n0.903698 0.551199 0.099902 Cl\n",
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{
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"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Dy-Ta",
"density": 4.987064920306312,
"density_atomic": 0.05567471352115922,
"volume": 1903.9163975170634,
"volume_molar": 10.816653340679121,
"formula_full": "Dy12 Ta8 Al86",
"formula_reduced": "Dy6Ta4Al43",
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"formation_energy": null,
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"energy_uncorrected": -504.91583682,
"band_gap": 0.0250000000000003,
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"is_magnetic": false,
"total_magnetization": 0.5449894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.602000Z",
"spacegroup": 193
},
{
"id": "mp-1221731",
"created_at": "2022-09-04T14:41:20.279840Z",
"structure_string": "Mn3 Cr1 P4\n1.0\n3.126834 0.000000 0.000000\n0.000000 5.255386 0.000000\n0.000000 0.014443 5.909194\nMn Cr P\n3 1 4\ndirect\n0.500000 0.004692 0.195520 Mn\n0.000000 0.495118 0.696893 Mn\n0.000000 0.995050 0.802930 Mn\n0.500000 0.505838 0.304373 Cr\n0.500000 0.688303 0.931416 P\n0.500000 0.188361 0.569164 P\n0.000000 0.309683 0.066188 P\n0.000000 0.812956 0.433516 P\n",
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"elements": [
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"formula_full": "Mn3 Cr1 P4",
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"updated_at": "2021-11-28T01:35:16.286000Z",
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}
]
}