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{
"id": "mp-1225552",
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"structure_string": "Dy2 Mn2 Fe2\n1.0\n-2.541233 2.604429 3.630190\n2.541233 -2.604429 3.630190\n2.541233 2.604429 -3.630190\nDy Mn Fe\n2 2 2\ndirect\n0.126247 0.876247 0.250000 Dy\n0.873753 0.123753 0.750000 Dy\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n",
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{
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{
"id": "mp-19761",
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"structure_string": "La2 Ge4\n1.0\n-2.160492 2.160492 7.840547\n2.160492 -2.160492 7.840547\n2.160492 2.160492 -7.840547\nLa Ge\n2 4\ndirect\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.667876 0.167876 0.500000 Ge\n0.082124 0.082124 0.000000 Ge\n0.832124 0.332124 0.500000 Ge\n0.917876 0.917876 0.000000 Ge\n",
"nsites": 6,
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"density": 6.447172399329149,
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"volume": 146.3900903733194,
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"formula_full": "La2 Ge4",
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},
{
"id": "mp-38994",
"created_at": "2022-09-04T14:46:04.858352Z",
"structure_string": "Na1 Al1 Si4\n1.0\n4.333590 0.000000 0.000000\n0.000000 4.333590 0.000000\n0.000000 0.000000 5.995633\nNa Al Si\n1 1 4\ndirect\n0.000000 0.000000 0.338048 Na\n0.500000 0.500000 0.671552 Al\n0.500000 0.000000 0.990436 Si\n0.000000 0.500000 0.990436 Si\n0.500000 0.500000 0.215500 Si\n0.000000 0.000000 0.794027 Si\n",
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"volume": 112.59800145860787,
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"formula_full": "Na1 Al1 Si4",
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"spacegroup": 99
},
{
"id": "mp-1052023",
"created_at": "2022-09-04T14:46:15.453961Z",
"structure_string": "Mg4 Cu2\n1.0\n-4.161777 3.219816 -0.271859\n0.015168 -6.419717 -0.009915\n-1.127862 3.219255 4.016100\nMg Cu\n4 2\ndirect\n0.913578 0.078985 0.080283 Mg\n0.252956 0.087631 0.419788 Mg\n0.412799 0.745986 0.579338 Mg\n0.753723 0.420584 0.920663 Mg\n0.333345 0.583343 0.000182 Cu\n0.833603 0.583469 0.499742 Cu\n",
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"formula_full": "Mg4 Cu2",
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{
"id": "mp-1018758",
"created_at": "2022-09-04T14:46:15.351989Z",
"structure_string": "La2 Zn2 In2\n1.0\n2.405282 -4.166071 0.000000\n2.405282 4.166071 0.000000\n0.000000 0.000000 7.859499\nLa Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
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"Zn",
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"density": 6.728721597636383,
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"volume": 157.51340761124763,
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"formula_full": "La2 Zn2 In2",
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"updated_at": "2021-11-28T01:37:28.729000Z",
"spacegroup": 194
},
{
"id": "mp-1235313",
"created_at": "2022-09-04T14:46:14.889925Z",
"structure_string": "Sr1 Li1 Al1 O3\n1.0\n3.691207 0.000000 0.000000\n0.000000 5.011640 0.000000\n0.000000 0.000000 3.691207\nSr Li Al O\n1 1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Li\n0.500001 0.500001 0.500001 Al\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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"volume": 68.28364069036512,
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"formula_full": "Sr1 Li1 Al1 O3",
"formula_reduced": "SrLiAlO3",
"formula_anonymous": "ABCD3",
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{
"id": "mp-1217309",
"created_at": "2022-09-04T14:46:09.499583Z",
"structure_string": "Th2 Si3 Au1\n1.0\n4.246999 0.000000 0.000000\n0.000000 4.254686 0.000000\n2.123499 2.127343 7.111180\nTh Si Au\n2 3 1\ndirect\n0.741115 0.241115 0.517771 Th\n0.007065 0.007065 0.985870 Th\n0.419601 0.419601 0.160798 Si\n0.162350 0.662350 0.675301 Si\n0.585576 0.585576 0.828849 Si\n0.334294 0.834294 0.331411 Au\n",
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"density": 9.631377413624026,
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"volume": 128.49651368548356,
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"formula_full": "Th2 Si3 Au1",
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{
"id": "mp-1094474",
"created_at": "2022-09-04T14:46:15.927161Z",
"structure_string": "Mg3 Zn3\n1.0\n1.524973 -7.587880 0.000000\n1.524973 7.587880 0.000000\n0.000000 0.000000 4.800304\nMg Zn\n3 3\ndirect\n0.998286 0.001714 0.000000 Mg\n0.673049 0.326951 0.000000 Mg\n0.439279 0.560721 0.500000 Mg\n0.333241 0.666759 0.000000 Zn\n0.113130 0.886870 0.500000 Zn\n0.776348 0.223652 0.500000 Zn\n",
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{
"id": "mp-30566",
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"structure_string": "Ti4 Co2\n1.0\n0.000000 3.540779 3.540779\n3.540779 0.000000 3.540779\n3.540779 3.540779 0.000000\nTi Co\n4 2\ndirect\n0.125000 0.125000 0.125000 Ti\n0.625000 0.125000 0.125000 Ti\n0.125000 0.625000 0.125000 Ti\n0.125000 0.125000 0.625000 Ti\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Co\n",
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{
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"structure_string": "Er1 Co3 B2\n1.0\n2.484597 -4.303449 0.000000\n2.484597 4.303449 0.000000\n0.000000 0.000000 3.027787\nEr Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
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{
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"structure_string": "Ag3 Au1 S2\n1.0\n4.737184 0.000000 0.000000\n0.765560 4.811589 0.000000\n0.510039 0.070429 5.822238\nAg Au S\n3 1 2\ndirect\n0.816351 0.544508 0.043537 Ag\n0.437588 0.985143 0.268457 Ag\n0.011717 0.283947 0.602534 Ag\n0.302150 0.734042 0.740635 Au\n0.015264 0.011173 0.023582 S\n0.541931 0.441187 0.446256 S\n",
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"formula_full": "Ag3 Au1 S2",
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]
}