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{
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"results": [
{
"id": "mp-1094419",
"created_at": "2022-09-04T14:41:32.607463Z",
"structure_string": "Y4 Mg2\n1.0\n1.779946 6.445502 0.000000\n-1.779946 6.445502 0.000000\n0.000000 2.042436 7.828413\nY Mg\n4 2\ndirect\n0.302554 0.302554 0.143236 Y\n0.023952 0.023952 0.206178 Y\n0.976048 0.976048 0.793822 Y\n0.697446 0.697446 0.856764 Y\n0.641093 0.641093 0.475053 Mg\n0.358907 0.358907 0.524947 Mg\n",
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{
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"structure_string": "Fe6 Pb1 S4 O28\n1.0\n12.123163 -3.522934 0.000000\n12.123163 3.522934 0.000000\n11.099415 0.000000 6.015407\nFe Pb S O\n6 1 4 28\ndirect\n0.258617 0.739729 0.258617 Fe\n0.258617 0.258617 0.739729 Fe\n0.739729 0.258617 0.258617 Fe\n0.741383 0.260271 0.741383 Fe\n0.741383 0.741383 0.260271 Fe\n0.260271 0.741383 0.741383 Fe\n0.000000 0.000000 0.000000 Pb\n0.846821 0.846821 0.846821 S\n0.153179 0.153179 0.153179 S\n0.345828 0.345828 0.345828 S\n0.654172 0.654172 0.654172 S\n0.806069 0.806069 0.806069 O\n0.193931 0.193931 0.193931 O\n0.305459 0.305459 0.305459 O\n0.694541 0.694541 0.694541 O\n0.754656 0.408008 0.754656 O\n0.754656 0.754656 0.408008 O\n0.408008 0.754656 0.754656 O\n0.245344 0.591992 0.245344 O\n0.245344 0.245344 0.591992 O\n0.591992 0.245344 0.245344 O\n0.255504 0.907413 0.255504 O\n0.255504 0.255504 0.907413 O\n0.907413 0.255504 0.255504 O\n0.744496 0.092587 0.744496 O\n0.744496 0.744496 0.092587 O\n0.092587 0.744496 0.744496 O\n0.958245 0.289116 0.958245 O\n0.958245 0.958245 0.289116 O\n0.289116 0.958245 0.958245 O\n0.041755 0.710884 0.041755 O\n0.041755 0.041755 0.710884 O\n0.710884 0.041755 0.041755 O\n0.442765 0.826656 0.442765 O\n0.442765 0.442765 0.826656 O\n0.826656 0.442765 0.442765 O\n0.557235 0.173344 0.557235 O\n0.557235 0.557235 0.173344 O\n0.173344 0.557235 0.557235 O\n",
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"volume": 513.8252757464511,
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"formula_full": "Fe6 Pb1 S4 O28",
"formula_reduced": "Fe6Pb(SO7)4",
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"energy": -259.71306953,
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{
"id": "mp-938968",
"created_at": "2022-09-04T14:41:32.511092Z",
"structure_string": "Ca2 P2 H8 O12\n1.0\n-5.856077 0.000000 0.000000\n2.873355 -5.819498 0.000000\n-1.436678 2.909749 7.555337\nCa P H O\n2 2 8 12\ndirect\n0.250000 0.171252 0.657496 Ca\n0.750000 0.828748 0.342504 Ca\n0.250000 0.676676 0.646647 P\n0.750000 0.323324 0.353353 P\n0.581944 0.271934 0.985416 H\n0.918056 0.742650 0.985416 H\n0.418056 0.728066 0.014584 H\n0.081944 0.257350 0.014584 H\n0.755290 0.354525 0.823446 H\n0.744710 0.822029 0.823446 H\n0.244710 0.645475 0.176554 H\n0.255290 0.177971 0.176554 H\n0.427712 0.818089 0.767124 O\n0.072288 0.414787 0.767124 O\n0.572288 0.181911 0.232876 O\n0.927712 0.585213 0.232876 O\n0.097288 0.824912 0.528664 O\n0.402712 0.646424 0.528664 O\n0.905516 0.180401 0.457743 O\n0.597288 0.353576 0.471336 O\n0.577924 0.299714 0.858072 O\n0.922076 0.842213 0.858072 O\n0.422076 0.700286 0.141928 O\n0.077924 0.157787 0.141928 O\n",
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},
{
"id": "mp-1328634",
"created_at": "2022-09-04T14:41:32.552083Z",
"structure_string": "Pt4 C16 S8 Br8 O8\n1.0\n-10.018385 0.000000 0.000000\n4.084484 10.133938 0.000000\n-0.358581 -5.469744 -15.565506\nPt C S Br O\n4 16 8 8 8\ndirect\n0.957319 0.289006 0.510322 Pt\n0.042681 0.710994 0.489678 Pt\n0.564685 0.724639 0.030096 Pt\n0.435315 0.275361 0.969904 Pt\n0.378112 0.127499 0.430109 C\n0.621888 0.872501 0.569891 C\n0.235211 0.767858 0.931236 C\n0.764789 0.232142 0.068764 C\n0.260753 0.297645 0.623961 C\n0.739247 0.702355 0.376039 C\n0.267816 0.707706 0.095629 C\n0.732184 0.292294 0.904371 C\n0.755729 0.314280 0.827385 C\n0.244271 0.685720 0.172615 C\n0.671871 0.680265 0.307458 C\n0.328129 0.319735 0.692542 C\n0.958137 0.100017 0.698455 C\n0.041863 0.899983 0.301545 C\n0.592367 0.645923 0.145388 C\n0.407633 0.354077 0.854612 C\n0.181648 0.273540 0.530938 S\n0.818352 0.726460 0.469062 S\n0.311219 0.662278 0.025060 S\n0.688781 0.337722 0.974940 S\n0.924052 0.241468 0.655129 S\n0.075948 0.758532 0.344871 S\n0.545681 0.680070 0.224784 S\n0.454319 0.319930 0.775216 S\n0.730511 0.340628 0.472469 Br\n0.269489 0.659372 0.527531 Br\n0.757984 0.889932 0.949274 Br\n0.242016 0.110068 0.050726 Br\n0.977243 0.338189 0.358135 Br\n0.022757 0.661811 0.641865 Br\n0.353626 0.861885 0.842739 Br\n0.646374 0.138115 0.157261 Br\n0.359109 0.044512 0.494545 O\n0.640891 0.955488 0.505455 O\n0.233189 0.523618 0.014921 O\n0.766811 0.476382 0.985079 O\n0.982223 0.996892 0.734023 O\n0.017777 0.003108 0.265977 O\n0.224555 0.672895 0.243178 O\n0.775445 0.327105 0.756822 O\n",
"nsites": 44,
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"density": 2.097615002011337,
"density_atomic": 0.027842836238591406,
"volume": 1580.2987749866534,
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"formula_full": "Pt4 C16 S8 Br8 O8",
"formula_reduced": "PtC4S2(BrO)2",
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"spacegroup": 2
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{
"id": "mp-383",
"created_at": "2022-09-04T14:41:32.556163Z",
"structure_string": "Rb4 Te2\n1.0\n3.071117 -5.319331 0.000000\n3.071117 5.319331 0.000000\n0.000000 0.000000 8.148471\nRb Te\n4 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n0.666667 0.333333 0.250000 Te\n0.333333 0.666667 0.750000 Te\n",
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"formula_full": "Rb4 Te2",
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{
"id": "mp-997027",
"created_at": "2022-09-04T14:41:32.562720Z",
"structure_string": "Au2 O4 F2\n1.0\n3.464928 -4.273634 0.000000\n3.464928 4.273634 0.000000\n0.000000 0.000000 4.349294\nAu O F\n2 4 2\ndirect\n0.723963 0.723963 0.500000 Au\n0.276037 0.276037 0.000000 Au\n0.028536 0.784931 0.217347 O\n0.971464 0.215069 0.717347 O\n0.784931 0.028536 0.782653 O\n0.215069 0.971464 0.282653 O\n0.615028 0.384972 0.250000 F\n0.384972 0.615028 0.750000 F\n",
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{
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{
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{
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"structure_string": "Cs2 Na1 Mg1 F6\n1.0\n0.000000 4.436028 4.436028\n4.436028 0.000000 4.436028\n4.436028 4.436028 0.000000\nCs Na Mg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Mg\n0.271066 0.728934 0.728934 F\n0.271066 0.728934 0.271066 F\n0.728934 0.271066 0.728934 F\n0.728934 0.728934 0.271066 F\n0.271066 0.271066 0.728934 F\n0.728934 0.271066 0.271066 F\n",
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{
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"structure_string": "Y2 B3 C2\n1.0\n1.697987 -6.869505 0.000000\n1.697987 6.869505 0.000000\n0.000000 0.000000 3.652185\nY B C\n2 3 2\ndirect\n0.363727 0.636273 0.500000 Y\n0.636273 0.363727 0.500000 Y\n0.217275 0.782725 0.000000 B\n0.000000 0.000000 0.000000 B\n0.782725 0.217275 0.000000 B\n0.104956 0.895044 0.000000 C\n0.895044 0.104956 0.000000 C\n",
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{
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"structure_string": "Ca4 In2 Pd4\n1.0\n2.886081 5.128394 0.000000\n-2.886081 5.128394 0.000000\n0.000000 2.097478 7.965057\nCa In Pd\n4 2 4\ndirect\n0.504482 0.794240 0.350402 Ca\n0.205760 0.495518 0.149598 Ca\n0.495518 0.205760 0.649598 Ca\n0.794240 0.504482 0.850402 Ca\n0.847678 0.152322 0.250000 In\n0.152322 0.847678 0.750000 In\n0.728262 0.003868 0.002791 Pd\n0.996132 0.271738 0.497209 Pd\n0.271738 0.996132 0.997209 Pd\n0.003868 0.728262 0.502791 Pd\n",
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},
{
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"elements": [
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],
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}