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{
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"structure_string": "Li4 Si4 W2 O14\n1.0\n5.352003 -0.019045 0.002512\n0.528986 6.045744 -0.060574\n0.444704 2.774006 8.214664\nLi Si W O\n4 4 2 14\ndirect\n0.304781 0.944137 0.149921 Li\n0.216568 0.807860 0.527589 Li\n0.783431 0.192140 0.472411 Li\n0.695219 0.055862 0.850079 Li\n0.696932 0.734674 0.344677 Si\n0.207231 0.794783 0.875054 Si\n0.792769 0.205216 0.124946 Si\n0.303068 0.265325 0.655323 Si\n0.759497 0.577080 0.719124 W\n0.240503 0.422919 0.280876 W\n0.228300 0.684906 0.070202 O\n0.287849 0.067489 0.840292 O\n0.235371 0.159633 0.509122 O\n0.581399 0.308293 0.230602 O\n0.076233 0.187269 0.192690 O\n0.923766 0.812730 0.807310 O\n0.101768 0.480435 0.654640 O\n0.764629 0.840367 0.490878 O\n0.712150 0.932510 0.159708 O\n0.771699 0.315094 0.929798 O\n0.898231 0.519565 0.345360 O\n0.601629 0.319979 0.639965 O\n0.418600 0.691707 0.769398 O\n0.398370 0.680020 0.360034 O\n",
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{
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"updated_at": "2022-09-04T14:37:31.283262Z",
"structure_string": "Hf2 O4\n1.0\n3.581787 0.000000 -0.000000\n0.000000 3.581787 0.000000\n-0.000000 0.000000 5.198788\nHf O\n2 4\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.697793 O\n0.500000 0.000000 0.802207 O\n0.500000 0.000000 0.302207 O\n0.000000 0.500000 0.197793 O\n",
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{
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"updated_at": "2022-09-04T14:38:40.736979Z",
"structure_string": "Mn6 O5 F7\n1.0\n5.282762 -0.001789 1.472667\n1.316701 5.246846 1.527412\n-0.045179 -0.027511 7.199487\nMn O F\n6 5 7\ndirect\n0.707801 0.676483 0.838397 Mn\n0.309929 0.367072 0.668407 Mn\n0.672461 0.614676 0.306419 Mn\n0.303574 0.333439 0.172474 Mn\n0.994688 0.995611 0.495932 Mn\n0.008672 0.008393 0.001818 Mn\n0.962954 0.327358 0.326243 O\n0.410263 0.429547 0.381060 O\n0.803886 0.776008 0.026247 O\n0.217197 0.247732 0.956656 O\n0.033029 0.667115 0.667924 O\n0.389691 0.934090 0.329681 F\n0.910271 0.861497 0.308732 F\n0.592496 0.567089 0.646195 F\n0.065101 0.123695 0.695101 F\n0.601660 0.056154 0.663924 F\n0.334622 0.716985 0.990590 F\n0.681695 0.297065 0.024204 F\n",
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{
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"structure_string": "Li4 Ti3 V3 Te2 O16\n1.0\n5.898339 -0.001237 0.002342\n-2.948152 5.164796 0.016094\n-0.004259 0.020967 10.218654\nLi Ti V Te O\n4 3 3 2 16\ndirect\n0.334506 0.669027 0.098114 Li\n0.999443 0.998885 0.011720 Li\n-0.000401 -0.000767 0.507093 Li\n0.663396 0.326827 0.602181 Li\n0.162821 0.816685 0.779360 Ti\n0.653851 0.816691 0.779361 Ti\n0.824896 0.649817 0.273698 Ti\n0.352902 0.173150 0.283272 V\n0.820218 0.173150 0.283275 V\n0.174564 0.349141 0.787949 V\n0.330104 0.660239 0.492207 Te\n0.660263 0.320529 -0.000629 Te\n0.846971 0.693959 0.896959 O\n0.316970 0.154830 0.901457 O\n0.672078 0.344184 0.396058 O\n0.981852 0.497806 0.170346 O\n0.515931 0.497794 0.170335 O\n0.158476 0.316980 0.396387 O\n0.498142 0.512550 0.675251 O\n0.486210 0.972435 0.675136 O\n0.675663 0.839006 0.397770 O\n0.000452 0.000941 0.193813 O\n0.000706 0.001423 0.689833 O\n0.339304 0.678625 0.895261 O\n0.514846 0.029724 0.161453 O\n0.163308 0.839013 0.397774 O\n0.014381 0.512544 0.675254 O\n0.837854 0.154826 0.901458 O\n",
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{
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"created_at": "2022-09-04T14:36:30.761148Z",
"updated_at": "2022-09-04T14:36:30.761164Z",
"structure_string": "Na5 Mn7 O16\n1.0\n0.000000 6.097369 0.110245\n5.915929 0.000000 0.000000\n0.000000 -0.453490 -8.637609\nNa Mn O\n5 7 16\ndirect\n0.244106 0.000000 0.872439 Na\n0.222222 0.500000 0.620873 Na\n0.000000 0.000000 0.500000 Na\n0.777778 0.500000 0.379126 Na\n0.755894 0.000000 0.127561 Na\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.270981 0.752583 0.244605 Mn\n0.270981 0.247417 0.244605 Mn\n0.729020 0.752583 0.755394 Mn\n0.729020 0.247417 0.755394 Mn\n0.500000 0.000000 0.500000 Mn\n0.081440 0.000000 0.227778 O\n0.254188 0.293523 0.014231 O\n0.254188 0.706477 0.014231 O\n0.481862 0.500000 0.222719 O\n0.059525 0.500000 0.224425 O\n0.485888 0.000000 0.273511 O\n0.285720 0.768558 0.456529 O\n0.940475 0.500000 0.775575 O\n0.714280 0.231442 0.543471 O\n0.714280 0.768558 0.543471 O\n0.918560 0.000000 0.772221 O\n0.514112 0.000000 0.726488 O\n0.745812 0.293523 0.985768 O\n0.518138 0.500000 0.777281 O\n0.285720 0.231442 0.456529 O\n0.745812 0.706477 0.985768 O\n",
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{
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"structure_string": "Zn1 Ga1 O3\n1.0\n3.816408 0.000000 0.000000\n-0.000000 3.816408 0.000000\n-0.000000 0.000000 3.816408\nZn Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Tb12 Al20 O48\n1.0\n9.893001 0.000000 -3.497704\n-4.946501 8.567591 -3.497704\n-0.000000 -0.000000 10.493112\nTb Al O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Tb\n0.250000 0.875000 0.625000 Tb\n0.875000 0.625000 0.250000 Tb\n0.625000 0.875000 0.750000 Tb\n0.875000 0.750000 0.625000 Tb\n0.625000 0.250000 0.875000 Tb\n0.375000 0.750000 0.125000 Tb\n0.750000 0.125000 0.375000 Tb\n0.125000 0.375000 0.750000 Tb\n0.375000 0.125000 0.250000 Tb\n0.125000 0.250000 0.375000 Tb\n0.750000 0.625000 0.875000 Tb\n0.250000 0.125000 0.875000 Al\n0.750000 0.875000 0.125001 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.375000 0.250000 Al\n0.125000 0.750000 0.875000 Al\n0.875000 0.125000 0.750000 Al\n0.750000 0.375000 0.625000 Al\n0.125000 0.875000 0.250000 Al\n0.875000 0.250000 0.125000 Al\n0.375000 0.625000 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.625000 0.750000 0.375000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n0.250000 0.625000 0.375000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.679606 0.098022 0.980197 O\n0.199409 0.117825 0.019803 O\n0.117825 0.019803 0.199409 O\n0.179606 0.480197 0.598022 O\n0.300591 0.320394 0.918416 O\n0.382175 0.581584 0.901978 O\n0.598022 0.179606 0.480197 O\n0.320394 0.918416 0.300592 O\n0.980197 0.679606 0.098023 O\n0.918416 0.117825 0.598022 O\n0.098022 0.617825 0.418416 O\n0.679606 0.081584 0.699409 O\n0.401978 0.820394 0.519804 O\n0.617825 0.418416 0.098022 O\n0.699409 0.679606 0.081585 O\n0.820394 0.519803 0.401978 O\n0.882175 0.980197 0.800592 O\n0.418416 0.820394 0.800591 O\n0.800591 0.882174 0.980197 O\n0.699409 0.519803 0.617826 O\n0.081584 0.699409 0.679607 O\n0.617825 0.699409 0.519804 O\n0.519803 0.401978 0.820394 O\n0.519803 0.617825 0.699409 O\n0.401978 0.081584 0.882174 O\n0.820394 0.800591 0.418416 O\n0.418416 0.098022 0.617826 O\n0.581584 0.179606 0.199409 O\n0.081584 0.882174 0.401978 O\n0.882174 0.401978 0.081585 O\n0.117825 0.598022 0.918416 O\n0.320394 0.901978 0.019804 O\n0.901978 0.019803 0.320394 O\n0.199409 0.581584 0.179607 O\n0.019803 0.199409 0.117826 O\n0.300591 0.480197 0.382175 O\n0.918416 0.300591 0.320394 O\n0.581584 0.901978 0.382175 O\n0.382175 0.300591 0.480197 O\n0.480197 0.382175 0.300591 O\n0.598022 0.918416 0.117826 O\n0.179606 0.199409 0.581584 O\n0.019803 0.320394 0.901978 O\n0.980197 0.800591 0.882175 O\n0.800591 0.418416 0.820394 O\n0.098022 0.980197 0.679607 O\n0.480197 0.598022 0.179607 O\n0.901978 0.382175 0.581585 O\n",
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"structure_string": "Li2 Ag2 F4\n1.0\n1.488898 2.578761 -0.000059\n-1.488701 2.578624 0.000083\n-0.000426 -0.000191 11.583428\nLi Ag F\n2 2 4\ndirect\n-0.000005 0.000032 0.000000 Li\n0.000003 0.000022 0.500000 Li\n0.666630 0.666708 0.250000 Ag\n0.333373 0.333348 0.750000 Ag\n0.333323 0.333351 0.094517 F\n0.666677 0.666664 0.594516 F\n0.666657 0.666692 0.905483 F\n0.333339 0.333382 0.405483 F\n",
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{
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"created_at": "2022-09-04T14:36:01.127151Z",
"updated_at": "2022-09-04T14:36:01.127172Z",
"structure_string": "Na2 Tb2 Mn2 W2 O12\n1.0\n5.307674 0.000000 -0.022787\n0.000000 5.449575 0.000000\n0.015067 0.000000 7.687482\nTb Na Mn W O\n2 2 2 2 12\ndirect\n0.736846 0.780054 0.499155 Tb\n0.263154 0.280054 0.500845 Tb\n0.755675 0.691216 0.998177 Na\n0.244325 0.191215 0.001823 Na\n0.247927 0.722740 0.751731 Mn\n0.752073 0.222740 0.248268 Mn\n0.240510 0.723018 0.231510 W\n0.759490 0.223017 0.768489 W\n0.050411 0.429046 0.780259 O\n0.045376 0.428215 0.218976 O\n0.316561 0.738634 -0.003870 O\n0.545601 0.509659 0.694634 O\n0.683438 0.238634 0.003870 O\n0.537795 0.514795 0.305211 O\n0.949589 0.929047 0.219740 O\n0.462205 0.014794 0.694788 O\n0.841554 0.198228 0.501331 O\n0.954624 0.928215 0.781023 O\n0.454399 0.009659 0.305365 O\n0.158446 0.698228 0.498669 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Tb",
"Na",
"Mn",
"W",
"O"
],
"chemical_system": "Mn-Na-O-Tb-W",
"density": 7.7171002596148695,
"density_atomic": 0.0899446539108133,
"volume": 222.3589633223945,
"volume_molar": 6.695384881875685,
"formula_full": "Na2 Tb2 Mn2 W2 O12",
"formula_reduced": "NaTbMnWO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 3.023022564137931,
"spacegroup": 4
}
]
}