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{
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{
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{
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"created_at": "2022-09-04T14:41:27.457132Z",
"structure_string": "Na4 Fe4 As4\n1.0\n-1.964525 -3.404970 -0.001536\n-1.966528 3.406127 0.000000\n0.011724 0.006769 -19.374168\nNa Fe As\n4 4 4\ndirect\n0.335708 0.667854 0.651127 Na\n0.664292 0.332146 0.348873 Na\n0.999350 0.999675 0.181910 Na\n0.000650 0.000325 0.818090 Na\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.333260 0.666630 0.041554 Fe\n0.666740 0.333370 0.958446 Fe\n0.333306 0.666653 0.919060 As\n0.666694 0.333347 0.080940 As\n0.332802 0.666401 0.449893 As\n0.667198 0.333599 0.550107 As\n",
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"density": 3.9375227361378133,
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"formula_full": "Na4 Fe4 As4",
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"spacegroup": 164
},
{
"id": "mp-1103998",
"created_at": "2022-09-04T14:46:36.110207Z",
"structure_string": "Fe1 Mo6 S8\n1.0\n4.480580 -4.689205 0.000000\n4.480580 4.689205 0.000000\n-0.426962 0.000000 6.471626\nFe Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.217954 0.409598 0.551236 Mo\n0.409598 0.551236 0.217954 Mo\n0.551236 0.217954 0.409598 Mo\n0.782046 0.590402 0.448764 Mo\n0.590402 0.448764 0.782046 Mo\n0.448764 0.782046 0.590402 Mo\n0.216708 0.216708 0.216708 S\n0.783292 0.783292 0.783292 S\n0.375146 0.130878 0.738258 S\n0.130878 0.738258 0.375146 S\n0.738258 0.375146 0.130878 S\n0.624854 0.869122 0.261742 S\n0.869122 0.261742 0.624854 S\n0.261742 0.624854 0.869122 S\n",
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{
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"created_at": "2022-09-04T14:41:31.821141Z",
"structure_string": "Ba3 In1 Hg10\n1.0\n-2.681894 5.070012 7.778848\n2.681894 -5.070012 7.778848\n2.681894 5.070012 -7.778848\nBa In Hg\n3 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.701097 0.701097 0.000000 Ba\n0.298903 0.298903 0.000000 Ba\n0.500000 0.000000 0.500000 In\n0.142893 0.858706 0.284187 Hg\n0.857107 0.141294 0.715813 Hg\n0.425481 0.141294 0.284187 Hg\n0.574519 0.858706 0.715813 Hg\n0.017621 0.662210 0.355410 Hg\n0.982379 0.337790 0.644590 Hg\n0.693200 0.337790 0.355410 Hg\n0.306800 0.662210 0.644590 Hg\n0.678831 0.500000 0.178831 Hg\n0.321169 0.500000 0.821169 Hg\n",
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"density": 9.940467362446002,
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"formula_full": "Ba3 In1 Hg10",
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{
"id": "mp-1104",
"created_at": "2022-09-04T14:47:13.429334Z",
"structure_string": "La1 Mg1\n1.0\n3.966144 0.000000 0.000000\n0.000000 3.966144 0.000000\n0.000000 0.000000 3.966144\nLa Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n",
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},
{
"id": "mp-11040",
"created_at": "2022-09-04T14:44:07.682051Z",
"structure_string": "Eu4 Zn4 Sn4\n1.0\n4.800350 0.000000 0.000000\n0.000000 7.819257 0.000000\n0.000000 0.000000 8.115156\nEu Zn Sn\n4 4 4\ndirect\n0.250000 0.496610 0.211282 Eu\n0.750000 0.503390 0.788718 Eu\n0.250000 0.996610 0.288718 Eu\n0.750000 0.003390 0.711282 Eu\n0.750000 0.320756 0.416877 Zn\n0.250000 0.179244 0.916877 Zn\n0.750000 0.820756 0.083123 Zn\n0.250000 0.679244 0.583123 Zn\n0.250000 0.291862 0.590822 Sn\n0.750000 0.208138 0.090822 Sn\n0.250000 0.791862 0.909178 Sn\n0.750000 0.708138 0.409178 Sn\n",
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"formula_full": "Eu4 Zn4 Sn4",
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{
"id": "mp-1104000",
"created_at": "2022-09-04T14:43:37.363929Z",
"structure_string": "Sr2 Cu6 P5\n1.0\n4.105554 0.000000 0.000000\n0.000000 4.105554 0.000000\n-2.052777 -2.052777 12.314996\nSr Cu P\n2 6 5\ndirect\n0.648931 0.648931 0.297862 Sr\n0.351069 0.351069 0.702138 Sr\n0.947840 0.447840 0.895681 Cu\n0.447840 0.947840 0.895681 Cu\n0.052160 0.552160 0.104319 Cu\n0.552160 0.052160 0.104319 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 P\n0.896151 0.896151 0.792303 P\n0.103849 0.103849 0.207697 P\n0.801734 0.801734 0.603468 P\n0.198266 0.198266 0.396532 P\n",
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{
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"structure_string": "Ba2 Mo6 Se6\n1.0\n4.549789 -7.880466 0.000000\n4.549789 7.880466 0.000000\n0.000000 0.000000 4.530560\nBa Mo Se\n2 6 6\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.033025 0.849617 0.250000 Mo\n0.816591 0.966975 0.250000 Mo\n0.150383 0.183409 0.250000 Mo\n0.966975 0.150383 0.750000 Mo\n0.183409 0.033025 0.750000 Mo\n0.849617 0.816591 0.750000 Mo\n0.369349 0.067246 0.250000 Se\n0.697897 0.630651 0.250000 Se\n0.932754 0.302103 0.250000 Se\n0.630651 0.932754 0.750000 Se\n0.302103 0.369349 0.750000 Se\n0.067246 0.697897 0.750000 Se\n",
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{
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{
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"structure_string": "Nd2 Ga12\n1.0\n6.083046 0.000000 0.000000\n0.000000 6.083046 0.000000\n0.000000 0.000000 7.665499\nNd Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.500000 0.161749 Ga\n0.000000 0.000000 0.161749 Ga\n0.000000 0.000000 0.838251 Ga\n0.500000 0.500000 0.838251 Ga\n0.807744 0.692256 0.349505 Ga\n0.307744 0.807744 0.349505 Ga\n0.692256 0.192256 0.349505 Ga\n0.192256 0.307744 0.349505 Ga\n0.692256 0.807744 0.650495 Ga\n0.192256 0.692256 0.650495 Ga\n0.807744 0.307744 0.650495 Ga\n0.307744 0.192256 0.650495 Ga\n",
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{
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"structure_string": "Cs4 Te10\n1.0\n-4.857580 -6.252960 0.000000\n-4.857580 6.252960 0.000000\n0.000000 0.000000 -10.357161\nCs Te\n4 10\ndirect\n0.429773 0.570227 0.250000 Cs\n0.570227 0.429773 0.750000 Cs\n0.791748 0.208252 0.250000 Cs\n0.208252 0.791748 0.750000 Cs\n0.120191 0.332650 0.541903 Te\n0.332650 0.120191 0.458097 Te\n0.120191 0.332650 0.958097 Te\n0.332650 0.120191 0.041903 Te\n0.879809 0.667350 0.458097 Te\n0.667350 0.879809 0.541903 Te\n0.879809 0.667350 0.041903 Te\n0.667350 0.879809 0.958097 Te\n0.109523 0.890477 0.250000 Te\n0.890477 0.109523 0.750000 Te\n",
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]
}