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{
"id": "mp-1205371",
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"structure_string": "Ba6 In2 S8 Cl2\n1.0\n-4.238590 4.238590 7.289398\n4.238590 -4.238590 7.289398\n4.238590 4.238590 -7.289398\nBa In S Cl\n6 2 8 2\ndirect\n0.655058 0.155058 0.810116 Ba\n0.344942 0.844942 0.189884 Ba\n0.155058 0.344942 0.500000 Ba\n0.844942 0.655058 0.500000 Ba\n0.750000 0.750000 0.000000 Ba\n0.250000 0.250000 0.000000 Ba\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.015092 0.515092 0.814415 S\n0.700677 0.200677 0.185585 S\n0.515092 0.700677 0.500000 S\n0.200677 0.015092 0.500000 S\n0.984908 0.484908 0.185585 S\n0.299323 0.799323 0.814415 S\n0.484908 0.299323 0.500000 S\n0.799323 0.984908 0.500000 S\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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{
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},
{
"id": "mp-818716",
"created_at": "2022-09-04T14:45:25.615529Z",
"structure_string": "Mo4 P4 N4 O28\n1.0\n9.246748 0.000000 0.000000\n0.000000 6.510165 0.000000\n0.000000 3.293688 12.453250\nMo P N O\n4 4 4 28\ndirect\n0.238538 0.141380 0.118002 Mo\n0.261462 0.141380 0.618002 Mo\n0.761462 0.858620 0.881998 Mo\n0.738538 0.858620 0.381998 Mo\n0.150690 0.082293 0.373855 P\n0.349310 0.082293 0.873855 P\n0.849310 0.917707 0.626145 P\n0.650690 0.917707 0.126145 P\n0.296873 0.669979 0.271915 N\n0.203127 0.669979 0.771915 N\n0.703127 0.330021 0.728085 N\n0.796873 0.330021 0.228085 N\n0.215739 0.844786 0.210956 O\n0.284261 0.844786 0.710956 O\n0.784261 0.155214 0.789044 O\n0.715739 0.155214 0.289044 O\n0.067400 0.233674 0.085874 O\n0.432600 0.233674 0.585874 O\n0.932600 0.766326 0.914126 O\n0.567400 0.766326 0.414126 O\n0.234272 0.042305 0.477117 O\n0.265728 0.042305 0.977117 O\n0.765728 0.957695 0.522883 O\n0.734272 0.957695 0.022883 O\n0.236176 0.197211 0.276994 O\n0.263824 0.197211 0.776994 O\n0.763824 0.802789 0.723006 O\n0.736176 0.802789 0.223006 O\n0.996281 0.033515 0.369776 O\n0.503719 0.033515 0.869776 O\n0.003719 0.966485 0.630224 O\n0.496281 0.966485 0.130224 O\n0.267010 0.629429 0.365022 O\n0.232990 0.629429 0.865022 O\n0.732990 0.370571 0.634978 O\n0.767010 0.370571 0.134978 O\n0.350572 0.358161 0.084493 O\n0.149428 0.358161 0.584493 O\n0.649428 0.641839 0.915507 O\n0.850572 0.641839 0.415507 O\n",
"nsites": 40,
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"volume": 749.6589401874576,
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"formula_full": "Mo4 P4 N4 O28",
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"spacegroup": 14
},
{
"id": "mp-1219735",
"created_at": "2022-09-04T14:45:25.732436Z",
"structure_string": "Pr1 Y1 Mg6\n1.0\n8.682826 -2.604562 0.000000\n8.682826 2.604562 0.000000\n7.901543 0.000000 4.443065\nPr Y Mg\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.625629 0.625629 0.625629 Mg\n0.123947 0.123947 0.123947 Mg\n0.876053 0.876053 0.876053 Mg\n0.374371 0.374371 0.374371 Mg\n0.250575 0.250575 0.250575 Mg\n0.749425 0.749425 0.749425 Mg\n",
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"formula_full": "Pr1 Y1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 166
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{
"id": "mp-1194016",
"created_at": "2022-09-04T14:45:24.704698Z",
"structure_string": "Zr2 Ge6 N4 O18\n1.0\n3.690692 -6.392467 0.000000\n3.690692 6.392467 0.000000\n0.000000 0.000000 10.699184\nZr Ge N O\n2 6 4 18\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.263025 0.389392 0.750000 Ge\n0.610608 0.873633 0.750000 Ge\n0.126367 0.736975 0.750000 Ge\n0.736975 0.610608 0.250000 Ge\n0.389392 0.126367 0.250000 Ge\n0.873633 0.263025 0.250000 Ge\n0.666667 0.333333 0.555967 N\n0.333333 0.666667 0.055967 N\n0.333333 0.666667 0.444033 N\n0.666667 0.333333 0.944033 N\n0.222196 0.233829 0.617675 O\n0.766171 0.988367 0.617675 O\n0.011633 0.777804 0.617675 O\n0.777804 0.766171 0.117675 O\n0.233829 0.011633 0.117675 O\n0.988367 0.222196 0.117675 O\n0.777804 0.766171 0.382325 O\n0.233829 0.011633 0.382325 O\n0.988367 0.222196 0.382325 O\n0.222196 0.233829 0.882325 O\n0.766171 0.988367 0.882325 O\n0.011633 0.777804 0.882325 O\n0.523233 0.600559 0.750000 O\n0.399441 0.922674 0.750000 O\n0.077326 0.476767 0.750000 O\n0.476767 0.399441 0.250000 O\n0.600559 0.077326 0.250000 O\n0.922674 0.523233 0.250000 O\n",
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"formula_full": "Zr2 Ge6 N4 O18",
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{
"id": "mp-21169",
"created_at": "2022-09-04T14:45:24.707566Z",
"structure_string": "Ce4 Ni2 B20\n1.0\n4.160776 0.000000 0.000000\n0.000000 5.601992 0.000000\n0.000000 0.000000 11.146993\nCe Ni B\n4 2 20\ndirect\n0.500000 0.311991 0.862114 Ce\n0.500000 0.688009 0.137886 Ce\n0.500000 0.811991 0.637886 Ce\n0.500000 0.188009 0.362114 Ce\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.125239 0.540723 B\n0.000000 0.874761 0.459277 B\n0.000000 0.625239 0.959277 B\n0.000000 0.374761 0.040723 B\n0.000000 0.155883 0.697754 B\n0.000000 0.844117 0.302246 B\n0.301262 0.200806 0.114004 B\n0.301262 0.799194 0.885996 B\n0.698738 0.700806 0.385996 B\n0.698738 0.299194 0.614004 B\n0.698738 0.799194 0.885996 B\n0.698738 0.200806 0.114004 B\n0.301262 0.299194 0.614004 B\n0.301262 0.700806 0.385996 B\n0.000000 0.032295 0.187596 B\n0.000000 0.967705 0.812404 B\n0.000000 0.532295 0.312404 B\n0.000000 0.467705 0.687596 B\n0.000000 0.344117 0.197754 B\n0.000000 0.655883 0.802246 B\n",
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{
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"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.568957 0.000000 0.000000\n-0.786343 7.238062 0.000000\n-1.545021 -3.417112 8.955072\nSr Co As O\n2 4 4 16\ndirect\n0.671033 0.779769 0.524614 Sr\n0.328967 0.220231 0.475386 Sr\n0.528489 0.645199 0.878861 Co\n0.135334 0.875564 0.063273 Co\n0.471511 0.354801 0.121139 Co\n0.864666 0.124436 0.936727 Co\n0.928925 0.416652 0.749520 As\n0.071075 0.583348 0.250480 As\n0.228898 0.870412 0.716022 As\n0.771102 0.129588 0.283978 As\n0.612903 0.262779 0.972343 O\n0.772074 0.537308 0.274794 O\n0.729802 0.433177 0.602571 O\n0.538114 0.835382 0.779487 O\n0.121911 0.818362 0.241533 O\n0.387097 0.737221 0.027657 O\n0.461886 0.164618 0.220513 O\n0.270198 0.566823 0.397429 O\n0.137288 0.406050 0.094699 O\n0.853513 0.000926 0.083932 O\n0.146487 0.999074 0.916068 O\n0.878089 0.181638 0.758467 O\n0.317683 0.022167 0.624405 O\n0.682317 0.977833 0.375595 O\n0.862712 0.593950 0.905301 O\n0.227926 0.462692 0.725206 O\n",
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{
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"structure_string": "Cd4 Ge4 N8\n1.0\n5.686364 0.000000 0.000000\n0.000000 6.954302 0.000000\n0.000000 0.000000 5.492288\nCd Ge N\n4 4 8\ndirect\n0.580262 0.876122 0.997586 Cd\n0.419738 0.123878 0.497586 Cd\n0.919738 0.376122 0.497586 Cd\n0.080262 0.623878 0.997586 Cd\n0.566096 0.374571 0.000173 Ge\n0.433904 0.625429 0.500173 Ge\n0.933904 0.874571 0.500173 Ge\n0.066096 0.125429 0.000173 Ge\n0.547883 0.407093 0.340297 N\n0.452117 0.592907 0.840296 N\n0.952117 0.907093 0.840296 N\n0.047883 0.092907 0.340297 N\n0.614621 0.842773 0.411944 N\n0.385379 0.157227 0.911944 N\n0.885379 0.342773 0.911944 N\n0.114621 0.657227 0.411944 N\n",
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"formula_full": "Cd4 Ge4 N8",
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{
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{
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"structure_string": "Pu8 Re12 Si20\n1.0\n10.939997 0.000000 0.000000\n0.000000 10.939997 0.000000\n0.000000 0.000000 5.406088\nPu Re Si\n8 12 20\ndirect\n0.575616 0.734161 0.500000 Pu\n0.424384 0.265839 0.500000 Pu\n0.075616 0.765839 0.000000 Pu\n0.924384 0.234161 0.000000 Pu\n0.265839 0.575616 0.500000 Pu\n0.734161 0.424384 0.500000 Pu\n0.234161 0.075616 0.000000 Pu\n0.765839 0.924384 0.000000 Pu\n0.877588 0.857951 0.500000 Re\n0.122412 0.142049 0.500000 Re\n0.377588 0.642049 0.000000 Re\n0.622412 0.357951 0.000000 Re\n0.142049 0.877588 0.500000 Re\n0.857951 0.122412 0.500000 Re\n0.357951 0.377588 0.000000 Re\n0.642049 0.622412 0.000000 Re\n0.500000 0.000000 0.250000 Re\n0.000000 0.500000 0.750000 Re\n0.000000 0.500000 0.250000 Re\n0.500000 0.000000 0.750000 Re\n0.674698 0.174698 0.250000 Si\n0.325302 0.825302 0.250000 Si\n0.174698 0.325302 0.750000 Si\n0.825302 0.674698 0.750000 Si\n0.825302 0.674698 0.250000 Si\n0.174698 0.325302 0.250000 Si\n0.674698 0.174698 0.750000 Si\n0.325302 0.825302 0.750000 Si\n0.500000 0.500000 0.276373 Si\n0.000000 0.000000 0.776373 Si\n0.500000 0.500000 0.723627 Si\n0.000000 0.000000 0.223627 Si\n0.685731 0.972810 0.500000 Si\n0.314269 0.027190 0.500000 Si\n0.185731 0.527190 0.000000 Si\n0.814269 0.472810 0.000000 Si\n0.027190 0.685731 0.500000 Si\n0.972810 0.314269 0.500000 Si\n0.472810 0.185731 0.000000 Si\n0.527190 0.814269 0.000000 Si\n",
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}