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{
"id": "jvasp-37536",
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"structure_string": "Ti2 Pd2\n1.0\n2.789735 0.000000 0.000000\n0.000000 4.585622 0.000000\n0.000000 0.000000 4.879904\nTi Pd\n2 2\ndirect\n0.000000 0.750000 0.201735 Ti\n0.000000 0.250000 0.798264 Ti\n0.499999 0.750000 0.689521 Pd\n0.499999 0.250000 0.310478 Pd\n",
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{
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{
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"structure_string": "Na2 Mg1 C2 O6\n1.0\n4.520541 -0.017829 4.145139\n1.812033 4.141515 4.145139\n-0.027380 -0.017829 6.133248\nNa Mg C O\n2 1 2 6\ndirect\n0.197796 0.197797 0.197797 Na\n0.802203 0.802204 0.802204 Na\n0.000000 0.000000 0.000000 Mg\n0.590521 0.590523 0.590523 C\n0.409477 0.409478 0.409478 C\n0.193264 0.700600 0.338603 O\n0.700599 0.338603 0.193265 O\n0.338603 0.193265 0.700600 O\n0.806735 0.299401 0.661398 O\n0.661396 0.806736 0.299401 O\n0.299400 0.661398 0.806736 O\n",
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{
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"created_at": "2022-09-04T14:38:11.172373Z",
"updated_at": "2022-09-04T14:38:11.172395Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184448 0.007013 0.042159\n2.579349 4.497277 -0.042159\n-0.129544 0.223288 10.172443\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.327078 0.656247 0.333562 Li\n0.343754 0.672922 0.833562 Li\n0.653995 0.335560 0.587108 Li\n0.664441 0.346006 0.087108 Li\n0.329238 0.006804 0.115326 Mn\n0.993197 0.670763 0.615326 Mn\n0.678538 0.003613 0.866973 Fe\n0.996388 0.321463 0.366973 Fe\n0.664061 0.000325 0.372885 B\n0.998256 0.668979 0.124240 B\n-0.000325 0.335940 0.872884 B\n0.331021 0.001745 0.624240 B\n0.752506 0.935668 0.084623 O\n0.064332 0.247495 0.584623 O\n0.257788 0.065660 0.897466 O\n0.016943 0.586456 0.839347 O\n0.577133 0.034551 0.652614 O\n0.274354 0.644854 0.138202 O\n0.355147 0.725646 0.638202 O\n0.644616 0.276384 0.385755 O\n0.723617 0.355384 0.885754 O\n0.413545 0.983058 0.339348 O\n0.965450 0.422867 0.152614 O\n0.934342 0.742212 0.397466 O\n",
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"created_at": "2022-09-04T14:38:11.168985Z",
"updated_at": "2022-09-04T14:38:11.169017Z",
"structure_string": "Ho2 Te1 O2\n1.0\n3.881684 -0.000250 -0.000051\n-1.941058 3.361850 0.000102\n-0.000095 0.000159 7.175824\nHo Te O\n2 1 2\ndirect\n0.333288 0.666677 0.304820 Ho\n0.666613 0.333323 0.695179 Ho\n0.000010 0.000000 -0.000000 Te\n0.333283 0.666665 0.619763 O\n0.666600 0.333335 0.380236 O\n",
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{
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"created_at": "2022-09-04T14:38:11.168080Z",
"updated_at": "2022-09-04T14:38:11.168104Z",
"structure_string": "Ta1 V1 C1 N1\n1.0\n2.936763 -0.000612 4.387841\n1.332433 2.617097 4.387841\n-0.000998 -0.000612 5.279937\nTa V C N\n1 1 1 1\ndirect\n0.746004 0.746009 0.746008 Ta\n0.258884 0.258886 0.258885 V\n0.994821 0.994827 0.994826 C\n0.500281 0.500284 0.500284 N\n",
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{
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"created_at": "2022-09-04T14:38:11.167609Z",
"updated_at": "2022-09-04T14:38:11.167633Z",
"structure_string": "Er4 Mn8\n1.0\n5.028263 -0.000000 0.000000\n-2.514131 4.354603 -0.000000\n0.000000 -0.000000 8.280937\nEr Mn\n4 8\ndirect\n0.333333 0.666666 0.437095 Er\n0.666666 0.333333 0.937095 Er\n0.666666 0.333333 0.562906 Er\n0.333333 0.666666 0.062906 Er\n0.169083 0.338167 0.750000 Mn\n0.830916 0.169083 0.250000 Mn\n0.338167 0.169083 0.250000 Mn\n0.661833 0.830916 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.830916 0.661833 0.250000 Mn\n0.169083 0.830916 0.750000 Mn\n",
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"formula_full": "Er4 Mn8",
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{
"id": "jvasp-108976",
"created_at": "2022-09-04T14:38:11.165016Z",
"updated_at": "2022-09-04T14:38:11.165044Z",
"structure_string": "K3 Ir1 F6\n1.0\n5.460195 -0.000000 3.152445\n1.820065 5.147921 3.152445\n-0.000000 -0.000000 6.304890\nK Ir F\n3 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ir\n0.772752 0.227249 0.227250 F\n0.227250 0.227249 0.772751 F\n0.227250 0.772750 0.772751 F\n0.227250 0.772750 0.227250 F\n0.772752 0.227249 0.772751 F\n0.772752 0.772750 0.227250 F\n",
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{
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"structure_string": "Zr1 Co1\n1.0\n3.173033 -0.000000 -0.000000\n0.000000 3.173033 0.000000\n-0.000000 -0.000000 3.173033\nZr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Co\n",
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"created_at": "2022-09-04T14:38:11.163302Z",
"updated_at": "2022-09-04T14:38:11.163329Z",
"structure_string": "Sm2 Tl2 Mo4 O16\n1.0\n6.265161 -0.000000 0.000000\n0.000000 6.265161 -0.000000\n0.000000 -0.000000 9.541623\nSm Tl Mo O\n2 2 4 16\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.750000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.000000 0.250000 Mo\n0.000000 0.500000 0.250000 Mo\n0.115745 0.695980 0.138053 O\n0.115745 0.304019 0.861947 O\n0.884255 0.695980 0.861947 O\n0.304019 0.115745 0.138053 O\n0.695980 0.884255 0.138053 O\n0.884255 0.304019 0.138053 O\n0.615745 0.195981 0.361947 O\n0.384255 0.195981 0.638053 O\n0.195981 0.384255 0.361947 O\n0.615745 0.804019 0.638053 O\n0.304019 0.884255 0.861947 O\n0.384255 0.804019 0.361947 O\n0.195981 0.615745 0.638053 O\n0.804019 0.384255 0.638053 O\n0.804019 0.615745 0.361947 O\n0.695980 0.115745 0.861947 O\n",
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{
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"structure_string": "Li4 Mn3 F10\n1.0\n5.095937 -0.021782 0.012576\n1.094229 5.325395 0.024151\n2.061074 2.098613 7.008273\nLi Mn F\n4 3 10\ndirect\n0.982861 0.702300 0.347850 Li\n0.501046 0.641477 0.205526 Li\n0.498954 0.358524 0.794474 Li\n0.017138 0.297700 0.652150 Li\n0.176349 0.240508 0.144169 Mn\n0.500000 -0.000000 0.500000 Mn\n0.823651 0.759493 0.855831 Mn\n0.708998 0.150491 0.636026 F\n0.751833 0.635560 0.610069 F\n0.248167 0.364441 0.389931 F\n0.291002 0.849510 0.363974 F\n0.500000 0.500001 0.000000 F\n0.500000 0.000000 0.000000 F\n0.176108 0.946303 0.739307 F\n0.889327 0.593907 0.159100 F\n0.823891 0.053697 0.260693 F\n0.110672 0.406093 0.840900 F\n",
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