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{
"id": "mp-1181839",
"created_at": "2022-09-04T14:43:22.451400Z",
"structure_string": "Cs4 Sr1 Sn3 Se9\n1.0\n5.457706 -7.503623 0.000000\n5.457706 7.503623 0.000000\n-4.858779 0.000000 7.904630\nCs Sr Sn Se\n4 1 3 9\ndirect\n0.612947 0.725305 0.186307 Cs\n0.186307 0.612947 0.725305 Cs\n0.725305 0.186307 0.612947 Cs\n0.856891 0.856891 0.856891 Cs\n0.315874 0.315874 0.315874 Sr\n0.204398 0.789299 0.334833 Sn\n0.334833 0.204398 0.789299 Sn\n0.789299 0.334833 0.204398 Sn\n0.919680 0.542597 0.089590 Se\n0.089590 0.919680 0.542597 Se\n0.542597 0.089590 0.919680 Se\n0.422465 0.708718 0.482324 Se\n0.482324 0.422465 0.708717 Se\n0.708718 0.482324 0.422465 Se\n0.303515 0.952303 0.183216 Se\n0.183216 0.303515 0.952303 Se\n0.952303 0.183216 0.303515 Se\n",
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{
"id": "mp-772077",
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"structure_string": "Ba8 Y8 I40\n1.0\n27.056649 0.000000 0.000000\n0.000000 8.270670 0.000000\n0.000000 8.073422 11.572204\nBa Y I\n8 8 40\ndirect\n0.971983 0.157243 0.250536 Ba\n0.240057 0.149245 0.011580 Ba\n0.471983 0.842757 0.249464 Ba\n0.740057 0.850755 0.488420 Ba\n0.259943 0.149245 0.511580 Ba\n0.528017 0.157243 0.750536 Ba\n0.759943 0.850755 0.988420 Ba\n0.028017 0.842757 0.749464 Ba\n0.128496 0.803460 0.443009 Y\n0.628496 0.196540 0.056991 Y\n0.386932 0.655799 0.609178 Y\n0.886932 0.344201 0.890822 Y\n0.113068 0.655799 0.109178 Y\n0.613068 0.344201 0.390822 Y\n0.371504 0.803460 0.943009 Y\n0.871504 0.196540 0.556991 Y\n0.375006 0.059452 0.396088 I\n0.143684 0.466707 0.990766 I\n0.338227 0.394367 0.051870 I\n0.575524 0.147745 0.265370 I\n0.909447 0.758955 0.675152 I\n0.149721 0.830615 0.644603 I\n0.226199 0.996536 0.328458 I\n0.286854 0.632436 0.707105 I\n0.523909 0.288718 0.961794 I\n0.996526 0.326692 0.945058 I\n0.726199 0.003464 0.171542 I\n0.496526 0.673308 0.554942 I\n0.023909 0.711282 0.538206 I\n0.786854 0.367564 0.792895 I\n0.075524 0.852255 0.234630 I\n0.838227 0.605633 0.448130 I\n0.649721 0.169385 0.855397 I\n0.409447 0.241045 0.824848 I\n0.643684 0.533293 0.509234 I\n0.875006 0.940548 0.103912 I\n0.124994 0.059452 0.896088 I\n0.356316 0.466707 0.490766 I\n0.590553 0.758955 0.175152 I\n0.350279 0.830615 0.144603 I\n0.161773 0.394367 0.551870 I\n0.924476 0.147745 0.765370 I\n0.213146 0.632436 0.207105 I\n0.976091 0.288718 0.461794 I\n0.503474 0.326692 0.445058 I\n0.273801 0.996536 0.828458 I\n0.003474 0.673308 0.054942 I\n0.476091 0.711282 0.038206 I\n0.713146 0.367564 0.292895 I\n0.773801 0.003464 0.671542 I\n0.850279 0.169385 0.355397 I\n0.090553 0.241045 0.324848 I\n0.424476 0.852255 0.734630 I\n0.661773 0.605633 0.948130 I\n0.856316 0.533293 0.009234 I\n0.624994 0.940548 0.603912 I\n",
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"formula_full": "Ba8 Y8 I40",
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"spacegroup": 14
},
{
"id": "mp-29910",
"created_at": "2022-09-04T14:42:39.811351Z",
"structure_string": "Sr8 I12 O2\n1.0\n5.309735 -9.196730 0.000000\n5.309735 9.196730 0.000000\n0.000000 0.000000 8.206928\nSr I O\n8 12 2\ndirect\n0.586164 0.793082 0.489100 Sr\n0.793082 0.206918 0.989100 Sr\n0.666667 0.333333 0.376216 Sr\n0.206918 0.413836 0.489100 Sr\n0.206918 0.793082 0.489100 Sr\n0.793082 0.586164 0.989100 Sr\n0.413836 0.206918 0.989100 Sr\n0.333333 0.666667 0.876216 Sr\n0.927732 0.463866 0.682190 I\n0.536134 0.072268 0.682190 I\n0.072268 0.536134 0.182190 I\n0.536134 0.463866 0.682190 I\n0.272615 0.136307 0.363674 I\n0.136307 0.272615 0.863674 I\n0.136307 0.863693 0.863674 I\n0.863693 0.136307 0.363674 I\n0.863693 0.727385 0.363674 I\n0.727385 0.863693 0.863674 I\n0.463866 0.536134 0.182190 I\n0.463866 0.927732 0.182190 I\n0.666667 0.333333 0.082214 O\n0.333333 0.666667 0.582214 O\n",
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"formula_full": "Sr8 I12 O2",
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"spacegroup": 186
},
{
"id": "mp-23408",
"created_at": "2022-09-04T14:47:22.394364Z",
"structure_string": "Tl16 Bi8 S20\n1.0\n4.153554 0.000000 0.000000\n0.000000 17.380576 0.000000\n0.000000 0.000000 17.772881\nTl Bi S\n16 8 20\ndirect\n0.250000 0.188999 0.919898 Tl\n0.250000 0.688999 0.580102 Tl\n0.750000 0.811001 0.080102 Tl\n0.250000 0.430481 0.916423 Tl\n0.750000 0.569519 0.083577 Tl\n0.250000 0.930481 0.583577 Tl\n0.750000 0.069519 0.416423 Tl\n0.250000 0.184722 0.261117 Tl\n0.750000 0.815278 0.738883 Tl\n0.250000 0.684722 0.238883 Tl\n0.750000 0.315278 0.761117 Tl\n0.250000 0.183301 0.572067 Tl\n0.750000 0.816699 0.427933 Tl\n0.250000 0.683301 0.927933 Tl\n0.750000 0.316699 0.072067 Tl\n0.750000 0.311001 0.419898 Tl\n0.750000 0.569709 0.756615 Bi\n0.250000 0.430291 0.243385 Bi\n0.250000 0.930291 0.256615 Bi\n0.750000 0.069709 0.743385 Bi\n0.250000 0.442430 0.588653 Bi\n0.750000 0.557570 0.411347 Bi\n0.250000 0.942430 0.911347 Bi\n0.750000 0.057570 0.088653 Bi\n0.250000 0.435781 0.418469 S\n0.750000 0.564219 0.581531 S\n0.250000 0.935781 0.081531 S\n0.750000 0.064219 0.918469 S\n0.750000 0.549599 0.906529 S\n0.250000 0.950401 0.406529 S\n0.750000 0.049599 0.593471 S\n0.250000 0.179348 0.736184 S\n0.750000 0.820652 0.263816 S\n0.250000 0.679348 0.763816 S\n0.750000 0.320652 0.236184 S\n0.250000 0.455758 0.741608 S\n0.750000 0.544242 0.258392 S\n0.250000 0.955758 0.758392 S\n0.750000 0.044242 0.241608 S\n0.750000 0.336767 0.595957 S\n0.250000 0.663233 0.404043 S\n0.250000 0.450401 0.093471 S\n0.250000 0.163233 0.095957 S\n0.750000 0.836767 0.904043 S\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:38:07.597000Z",
"spacegroup": 62
},
{
"id": "mp-1096042",
"created_at": "2022-09-04T14:47:58.841279Z",
"structure_string": "Mn1 Al2 Tc1\n1.0\n-5.062616 5.212184 7.356616\n5.062616 -5.212184 7.356616\n5.062616 5.212184 -7.356616\nMn Al Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257993 0.257993 Al\n0.000000 0.742007 0.742007 Al\n0.000000 0.500000 0.500000 Tc\n",
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],
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},
{
"id": "mp-1212525",
"created_at": "2022-09-04T14:41:30.271616Z",
"structure_string": "H2 Pb6 Cl8 O2 F2\n1.0\n-7.273262 0.000000 0.000000\n-0.033119 -7.889421 0.000000\n1.679619 1.989871 8.285493\nH Pb Cl O F\n2 6 8 2 2\ndirect\n0.993186 0.753410 0.005164 H\n0.006814 0.246590 0.994836 H\n0.250638 0.839910 0.410862 Pb\n0.749362 0.160090 0.589138 Pb\n0.661002 0.785520 0.130381 Pb\n0.338998 0.214480 0.869619 Pb\n0.712737 0.639918 0.595774 Pb\n0.287263 0.360082 0.404226 Pb\n0.919249 0.076385 0.302795 Cl\n0.080751 0.923615 0.697205 Cl\n0.650996 0.980124 0.856563 Cl\n0.349004 0.019876 0.143437 Cl\n0.923341 0.581048 0.308405 Cl\n0.076659 0.418952 0.691595 Cl\n0.354053 0.539686 0.144077 Cl\n0.645947 0.460314 0.855923 Cl\n0.605519 0.365101 0.461633 O\n0.394481 0.634899 0.538367 O\n0.615168 0.861870 0.422991 F\n0.384832 0.138130 0.577009 F\n",
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"spacegroup": 2
},
{
"id": "mp-567788",
"created_at": "2022-09-04T14:46:25.853820Z",
"structure_string": "Sr56 Mn4 Sb44\n1.0\n-8.829961 8.829961 11.664632\n8.829961 -8.829961 11.664632\n8.829961 8.829961 -11.664632\nSr Mn Sb\n56 4 44\ndirect\n0.350840 0.687795 0.975232 Sr\n0.937795 0.100840 0.475232 Sr\n0.775448 0.496559 0.366632 Sr\n0.125000 0.519093 0.894093 Sr\n0.625000 0.230907 0.105907 Sr\n0.712563 0.375608 0.024768 Sr\n0.003441 0.724552 0.633368 Sr\n0.850840 0.875608 0.663045 Sr\n0.125608 0.600840 0.163045 Sr\n0.497272 0.144290 0.396244 Sr\n0.894290 0.998047 0.147019 Sr\n0.355710 0.002728 0.603756 Sr\n0.974552 0.753441 0.133368 Sr\n0.037437 0.874392 0.475232 Sr\n0.537437 0.062205 0.163045 Sr\n0.474552 0.341183 0.221111 Sr\n0.398972 0.751953 0.396244 Sr\n0.394290 0.247272 0.896244 Sr\n0.899160 0.374392 0.836955 Sr\n0.351028 0.498047 0.103756 Sr\n0.480907 0.375000 0.605907 Sr\n0.437795 0.962563 0.836955 Sr\n0.629927 0.996559 0.721111 Sr\n0.752728 0.648972 0.147019 Sr\n0.312205 0.287437 0.663045 Sr\n0.124392 0.787437 0.975232 Sr\n0.246559 0.379927 0.221111 Sr\n0.501953 0.605710 0.852981 Sr\n0.812205 0.149160 0.024768 Sr\n0.769093 0.875000 0.394093 Sr\n0.658817 0.879927 0.133368 Sr\n0.158817 0.025448 0.778889 Sr\n0.997272 0.601028 0.352981 Sr\n0.591183 0.224552 0.721111 Sr\n0.851028 0.747272 0.852981 Sr\n0.620073 0.841183 0.866632 Sr\n0.625608 0.462563 0.524768 Sr\n0.269093 0.875000 0.894093 Sr\n0.275448 0.908817 0.278889 Sr\n0.746559 0.525448 0.866632 Sr\n0.898972 0.502728 0.647019 Sr\n0.125000 0.019093 0.394093 Sr\n0.248047 0.644290 0.647019 Sr\n0.748047 0.101028 0.603756 Sr\n0.980907 0.375000 0.105907 Sr\n0.001953 0.148972 0.896244 Sr\n0.212563 0.187795 0.336955 Sr\n0.625000 0.730907 0.605907 Sr\n0.855710 0.251953 0.352981 Sr\n0.120073 0.253441 0.778889 Sr\n0.503441 0.870073 0.278889 Sr\n0.129927 0.408817 0.633368 Sr\n0.624392 0.649160 0.336955 Sr\n0.252728 0.105710 0.103756 Sr\n0.091183 0.370073 0.366632 Sr\n0.399160 0.562205 0.524768 Sr\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.897063 0.541223 0.094267 Sb\n0.446737 0.808563 0.631862 Sb\n0.852937 0.708777 0.405733 Sb\n0.691437 0.053263 0.368138 Sb\n0.552796 0.147063 0.855839 Sb\n0.558563 0.426701 0.861826 Sb\n0.882678 0.882678 0.265355 Sb\n0.803043 0.208777 0.855839 Sb\n0.500000 0.000000 0.500000 Sb\n0.676701 0.308563 0.361826 Sb\n0.073299 0.941437 0.138174 Sb\n0.291223 0.696957 0.144161 Sb\n0.573299 0.435125 0.131862 Sb\n0.197204 0.102937 0.644161 Sb\n0.750000 0.750000 0.000000 Sb\n0.117322 0.382678 0.000000 Sb\n0.064875 0.926701 0.868138 Sb\n0.176701 0.814875 0.368138 Sb\n0.803263 0.935125 0.861826 Sb\n0.458777 0.553043 0.355839 Sb\n0.191437 0.823299 0.638174 Sb\n0.946957 0.041223 0.644161 Sb\n0.250000 0.250000 0.000000 Sb\n0.058563 0.196737 0.131862 Sb\n0.132678 0.632678 0.765355 Sb\n0.185125 0.553263 0.361826 Sb\n0.958777 0.602937 0.905733 Sb\n0.564875 0.696737 0.138174 Sb\n0.303043 0.447204 0.594267 Sb\n0.867322 0.367322 0.234645 Sb\n0.617322 0.617322 0.734645 Sb\n0.352937 0.947204 0.144161 Sb\n0.367322 0.132678 0.500000 Sb\n0.397063 0.302796 0.355839 Sb\n0.303263 0.441437 0.868138 Sb\n0.697204 0.053043 0.094267 Sb\n0.446957 0.802796 0.905733 Sb\n0.632678 0.867322 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.382678 0.117322 0.000000 Sb\n0.946737 0.314875 0.638174 Sb\n0.052796 0.196957 0.405733 Sb\n0.685125 0.323299 0.631862 Sb\n0.791223 0.647063 0.594267 Sb\n",
"nsites": 104,
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"volume": 3637.8819682555936,
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"formula_full": "Sr56 Mn4 Sb44",
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{
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