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{
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{
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{
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{
"id": "mp-740714",
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"structure_string": "Li4 B20 H8 O36\n1.0\n9.189438 0.000000 0.000000\n0.000000 5.606318 0.000000\n0.000000 0.352683 13.743543\nLi B H O\n4 20 8 36\ndirect\n0.095283 0.476044 0.196979 Li\n0.595283 0.523956 0.303021 Li\n0.904717 0.523956 0.803021 Li\n0.404717 0.476044 0.696979 Li\n0.827061 0.812641 0.185452 B\n0.327061 0.187359 0.314548 B\n0.172939 0.187359 0.814548 B\n0.672939 0.812641 0.685452 B\n0.966187 0.766385 0.342241 B\n0.466187 0.233615 0.157759 B\n0.033813 0.233615 0.657759 B\n0.533813 0.766385 0.842241 B\n0.803269 0.095009 0.318353 B\n0.303269 0.904991 0.181647 B\n0.196731 0.904991 0.681647 B\n0.696731 0.095009 0.818353 B\n0.859394 0.718090 0.010134 B\n0.359394 0.281910 0.489866 B\n0.140606 0.281910 0.989866 B\n0.640606 0.718090 0.510134 B\n0.669182 0.514014 0.101329 B\n0.169182 0.485986 0.398671 B\n0.330818 0.485986 0.898671 B\n0.830818 0.514014 0.601329 B\n0.765268 0.339436 0.420514 H\n0.265268 0.660564 0.079486 H\n0.234732 0.660564 0.579486 H\n0.734732 0.339436 0.920514 H\n0.000278 0.879383 0.920171 H\n0.500278 0.120617 0.579829 H\n0.999722 0.120617 0.079829 H\n0.499722 0.879383 0.420171 H\n0.059846 0.649796 0.405102 O\n0.559846 0.350204 0.094898 O\n0.940154 0.350204 0.594898 O\n0.440154 0.649796 0.905102 O\n0.893691 0.960368 0.379324 O\n0.393691 0.039632 0.120676 O\n0.106309 0.039632 0.620676 O\n0.606309 0.960368 0.879324 O\n0.737542 0.294731 0.354041 O\n0.237542 0.705269 0.145959 O\n0.262458 0.705269 0.645959 O\n0.762458 0.294731 0.854041 O\n0.941237 0.694627 0.248765 O\n0.441237 0.305373 0.251235 O\n0.058763 0.305373 0.751235 O\n0.558763 0.694627 0.748765 O\n0.778734 0.037023 0.224267 O\n0.278734 0.962977 0.275733 O\n0.221266 0.962977 0.775733 O\n0.721266 0.037023 0.724267 O\n0.890493 0.858518 0.087009 O\n0.390493 0.141482 0.412991 O\n0.109507 0.141482 0.912991 O\n0.609507 0.858518 0.587009 O\n0.698612 0.646394 0.180863 O\n0.198612 0.353606 0.319137 O\n0.301388 0.353606 0.819137 O\n0.801388 0.646394 0.680863 O\n0.931501 0.741837 0.921900 O\n0.431501 0.258163 0.578100 O\n0.068499 0.258163 0.078100 O\n0.568499 0.741837 0.421900 O\n0.754537 0.540035 0.017435 O\n0.254537 0.459965 0.482565 O\n0.245463 0.459965 0.982565 O\n0.745463 0.540035 0.517435 O\n",
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{
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F\n0.304118 0.217298 0.274103 F\n0.195882 0.217298 0.774103 F\n0.695882 0.782702 0.725897 F\n0.937885 0.964328 0.423576 F\n0.437885 0.035672 0.076424 F\n0.062115 0.035672 0.576424 F\n0.562115 0.964328 0.923576 F\n0.769834 0.912893 0.363672 F\n0.269834 0.087107 0.136328 F\n0.230166 0.087107 0.636328 F\n0.730166 0.912893 0.863672 F\n0.851104 0.022616 0.333550 F\n0.351104 0.977384 0.166450 F\n0.148896 0.977384 0.666450 F\n0.648896 0.022616 0.833550 F\n",
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"formula_full": "Li16 C64 O16 F144",
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"updated_at": "2021-11-28T01:35:11.503000Z",
"spacegroup": 14
},
{
"id": "mp-1179508",
"created_at": "2022-09-04T14:42:28.772331Z",
"structure_string": "Si3 O6\n1.0\n2.701320 0.000014 0.003502\n-1.350649 2.339421 -0.003557\n0.015941 -0.009307 15.136620\nSi O\n3 6\ndirect\n0.815480 0.000438 0.666246 Si\n0.184017 0.184029 0.000004 Si\n0.000487 0.815519 0.333750 Si\n0.851038 0.516781 0.939574 O\n0.482746 0.333154 0.606073 O\n0.516786 0.851069 0.060429 O\n0.667775 0.148468 0.273066 O\n0.148449 0.667742 0.726933 O\n0.333221 0.482800 0.393926 O\n",
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],
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"volume": 95.65635471963952,
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"formula_full": "Si3 O6",
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"spacegroup": 154
},
{
"id": "mp-1212987",
"created_at": "2022-09-04T14:40:09.559283Z",
"structure_string": "Dy4 Mg4 B20 O40\n1.0\n7.655401 0.000000 0.000000\n0.000000 8.629023 0.000000\n0.000000 8.043541 9.374018\nDy Mg B O\n4 4 20 40\ndirect\n0.191831 0.945920 0.241373 Dy\n0.808169 0.054080 0.758627 Dy\n0.691831 0.054080 0.258627 Dy\n0.308169 0.945920 0.741373 Dy\n0.909099 0.526880 0.371906 Mg\n0.090901 0.473120 0.628094 Mg\n0.409099 0.473120 0.128094 Mg\n0.590901 0.526880 0.871906 Mg\n0.826632 0.912810 0.103818 B\n0.173368 0.087190 0.896182 B\n0.326632 0.087190 0.396182 B\n0.673368 0.912810 0.603818 B\n0.576050 0.659107 0.258334 B\n0.423950 0.340893 0.741666 B\n0.076050 0.340893 0.241666 B\n0.923950 0.659107 0.758334 B\n0.812390 0.477373 0.088319 B\n0.187610 0.522627 0.911681 B\n0.312390 0.522627 0.411681 B\n0.687610 0.477373 0.588319 B\n0.468262 0.722072 0.555486 B\n0.531738 0.277928 0.444514 B\n0.968262 0.277928 0.944514 B\n0.031738 0.722072 0.055486 B\n0.598156 0.846797 0.994598 B\n0.401844 0.153203 0.005402 B\n0.098156 0.153203 0.505402 B\n0.901844 0.846797 0.494598 B\n0.912880 0.312038 0.194279 O\n0.087120 0.687962 0.805721 O\n0.412880 0.687962 0.305721 O\n0.587120 0.312038 0.694279 O\n0.873249 0.673151 0.009549 O\n0.126751 0.326849 0.990451 O\n0.373249 0.326849 0.490451 O\n0.626751 0.673151 0.509549 O\n0.390561 0.906051 0.418752 O\n0.609439 0.093949 0.581248 O\n0.890561 0.093949 0.081248 O\n0.109439 0.906051 0.918752 O\n0.710532 0.804373 0.230866 O\n0.289468 0.195627 0.769134 O\n0.210532 0.195627 0.269134 O\n0.789468 0.804373 0.730866 O\n0.650708 0.422658 0.073790 O\n0.349292 0.577342 0.926210 O\n0.150708 0.577342 0.426210 O\n0.849292 0.422658 0.573790 O\n0.771199 0.973698 0.478825 O\n0.228801 0.026302 0.521175 O\n0.271199 0.026302 0.021175 O\n0.728801 0.973698 0.978825 O\n0.649880 0.453379 0.365136 O\n0.350120 0.546621 0.634864 O\n0.149880 0.546621 0.134864 O\n0.850120 0.453379 0.865136 O\n0.530573 0.689945 0.127104 O\n0.469427 0.310055 0.872896 O\n0.030573 0.310055 0.372896 O\n0.969427 0.689945 0.627104 O\n0.952560 0.883387 0.374952 O\n0.047440 0.116613 0.625048 O\n0.452560 0.116613 0.125048 O\n0.547440 0.883387 0.874952 O\n0.971823 0.766751 0.148089 O\n0.028177 0.233249 0.851911 O\n0.471823 0.233249 0.351911 O\n0.528177 0.766751 0.648089 O\n",
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"density": 4.299717833649783,
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"volume": 619.2347988917759,
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"formula_full": "Dy4 Mg4 B20 O40",
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"energy": -567.49755594,
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"updated_at": "2021-11-28T01:34:47.365000Z",
"spacegroup": 14
}
]
}