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{
"id": "jvasp-50278",
"created_at": "2022-09-04T14:37:05.099085Z",
"updated_at": "2022-09-04T14:37:05.099103Z",
"structure_string": "Na4 Be4 O6\n1.0\n0.000000 4.974246 0.011575\n6.843437 0.000000 0.000000\n0.000000 -1.861569 -5.486768\nNa Be O\n4 4 6\ndirect\n0.251418 0.367178 0.888765 Na\n0.748583 0.867179 0.611235 Na\n0.251418 0.132822 0.388764 Na\n0.748583 0.632822 0.111235 Na\n0.298672 0.521580 0.490993 Be\n0.298672 0.978420 0.990994 Be\n0.701328 0.021580 0.009006 Be\n0.701328 0.478420 0.509006 Be\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.419402 0.054864 0.787409 O\n0.580599 0.554865 0.712591 O\n0.419402 0.445136 0.287409 O\n0.580599 0.945136 0.212590 O\n",
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{
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"structure_string": "Sr2 Lu4 O8\n1.0\n0.000000 3.293932 0.000092\n10.956615 0.000000 0.000000\n0.000000 -1.647024 -5.444744\nSr Lu O\n2 4 8\ndirect\n0.886763 0.250000 0.773605 Sr\n0.113238 0.750000 0.226395 Sr\n0.366583 0.928218 0.733126 Lu\n0.366583 0.571781 0.733126 Lu\n0.633417 0.071781 0.266873 Lu\n0.633417 0.428218 0.266873 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.447348 0.750000 0.894667 O\n0.263547 0.107072 0.527079 O\n0.263547 0.392928 0.527079 O\n0.736453 0.607072 0.472920 O\n0.736453 0.892928 0.472920 O\n0.552652 0.250000 0.105333 O\n",
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{
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"created_at": "2022-09-04T14:36:45.211648Z",
"updated_at": "2022-09-04T14:36:45.211670Z",
"structure_string": "H6 C4 N2 O2\n1.0\n3.649728 0.000000 -1.207453\n0.000000 6.906169 0.000000\n-0.169025 0.000000 4.477735\nH C N O\n6 4 2 2\ndirect\n0.293989 0.842976 0.774293 H\n0.706010 0.342976 0.225709 H\n0.865891 0.041770 0.156676 H\n0.134109 0.541770 0.843326 H\n0.355833 0.034293 0.304952 H\n0.644166 0.534293 0.695050 H\n0.109418 0.037678 0.375325 C\n0.890581 0.537678 0.624676 C\n0.137593 0.216457 0.581030 C\n0.862406 0.716457 0.418972 C\n0.095244 0.862716 0.553086 N\n0.904755 0.362716 0.446916 N\n0.373557 0.222110 0.856652 O\n0.626442 0.722110 0.143349 O\n",
"nsites": 14,
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"elements": [
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"formula_full": "H6 C4 N2 O2",
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{
"id": "jvasp-47472",
"created_at": "2022-09-04T14:36:58.893613Z",
"updated_at": "2022-09-04T14:36:58.893641Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n",
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{
"id": "jvasp-12638",
"created_at": "2022-09-04T14:37:11.753396Z",
"updated_at": "2022-09-04T14:37:11.753428Z",
"structure_string": "Fe4 Ge2 O8\n1.0\n5.162961 -0.000000 2.980837\n1.720987 4.867685 2.980837\n0.000000 -0.000000 5.961674\nFe Ge O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.875000 0.875001 0.875000 Ge\n0.125000 0.125000 0.125000 Ge\n0.751211 0.751211 0.751210 O\n0.248789 0.248790 0.753631 O\n0.248790 0.753632 0.248789 O\n0.753632 0.248790 0.248790 O\n0.751211 0.246368 0.751211 O\n0.246368 0.751211 0.751210 O\n0.248789 0.248790 0.248789 O\n0.751211 0.751211 0.246368 O\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:36:45.799458Z",
"updated_at": "2022-09-04T14:36:45.799477Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n4.897172 -0.071606 -0.000000\n1.803202 4.553666 -0.000000\n0.000000 0.000000 6.190348\nLi Cu P O\n2 2 2 8\ndirect\n0.327105 0.327106 0.750000 Li\n0.672894 0.672894 0.250000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.349257 0.349257 0.250000 P\n0.650742 0.650743 0.750000 P\n0.242236 0.242237 0.044014 O\n0.242236 0.242237 0.455986 O\n0.245181 0.691658 0.250000 O\n0.308342 0.754819 0.750000 O\n0.691657 0.245181 0.250000 O\n0.754818 0.308342 0.750000 O\n0.757763 0.757763 0.955987 O\n0.757763 0.757763 0.544014 O\n",
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"density_atomic": 0.10083216153490443,
"volume": 138.844588739216,
"volume_molar": 5.97244040822764,
"formula_full": "Li2 Cu2 P2 O8",
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"spacegroup": 63
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{
"id": "jvasp-11313",
"created_at": "2022-09-04T14:37:04.699542Z",
"updated_at": "2022-09-04T14:37:04.699564Z",
"structure_string": "Mg2 Mn2 F10\n1.0\n5.259973 -0.201846 1.223555\n-1.846780 4.618439 1.161308\n0.380391 -0.688360 7.234075\nMg Mn F\n2 2 10\ndirect\n0.754642 0.466052 0.721403 Mg\n0.242317 0.532817 0.277265 Mg\n-0.001525 -0.000574 0.999342 Mn\n0.498479 -0.000573 0.499336 Mn\n0.598132 0.867032 0.230836 F\n0.398818 0.131844 0.767829 F\n0.377709 0.259009 0.388782 F\n0.108143 0.808179 0.170363 F\n0.179486 0.338745 0.066939 F\n0.842289 0.301741 0.457255 F\n0.817485 0.660118 -0.068267 F\n0.154679 0.697110 0.541415 F\n0.888792 0.190671 0.828334 F\n0.619265 0.739857 0.609881 F\n",
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"formula_full": "Mg2 Mn2 F10",
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{
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"created_at": "2022-09-04T14:37:04.704875Z",
"updated_at": "2022-09-04T14:37:04.704903Z",
"structure_string": "In4 Hg2 O8\n1.0\n0.000000 4.688868 4.688868\n4.688868 -0.000000 4.688868\n4.688868 4.688868 -0.000000\nIn Hg O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.125000 0.125000 0.125000 Hg\n0.875000 0.875000 0.875000 Hg\n0.265513 0.265513 0.265513 O\n0.703460 0.265513 0.265513 O\n0.734487 0.734487 0.296541 O\n0.734487 0.296541 0.734487 O\n0.265513 0.703460 0.265513 O\n0.265513 0.265513 0.703460 O\n0.296541 0.734487 0.734487 O\n0.734487 0.734487 0.734487 O\n",
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"formula_full": "In4 Hg2 O8",
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{
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"created_at": "2022-09-04T14:37:05.036143Z",
"updated_at": "2022-09-04T14:37:05.036168Z",
"structure_string": "Ca2 Sm4 O8\n1.0\n-0.000003 6.970275 -0.000000\n6.970275 0.000003 -0.000000\n3.485136 3.485138 -4.929505\nCa Sm O\n2 4 8\ndirect\n0.375001 0.125001 0.749999 Ca\n0.625000 0.875001 0.250000 Ca\n0.000000 0.000001 0.500000 Sm\n0.500000 0.500001 -0.000000 Sm\n-0.000000 0.500000 0.000000 Sm\n0.000000 0.500001 0.500000 Sm\n0.238768 0.261142 0.022444 O\n0.783586 0.261234 0.477556 O\n0.238859 0.261212 0.477556 O\n0.761213 0.283587 0.977555 O\n0.238788 0.716415 0.022444 O\n0.761142 0.738790 0.522443 O\n0.216415 0.738768 0.522443 O\n0.761234 0.738860 0.977555 O\n",
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{
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"created_at": "2022-09-04T14:36:45.385337Z",
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"structure_string": "Ba2 Y2 Cl10\n1.0\n2.766336 9.553348 0.013136\n-2.766336 9.553348 -0.013136\n-0.358614 0.000000 6.784746\nBa Y Cl\n2 2 10\ndirect\n0.671227 0.671226 0.750000 Ba\n0.328774 0.328774 0.250000 Ba\n0.922881 0.922880 0.750000 Y\n0.077120 0.077119 0.250000 Y\n0.275198 0.786519 0.595298 Cl\n0.213481 0.724803 0.095298 Cl\n0.195981 0.179618 0.996994 Cl\n0.371099 0.371098 0.750000 Cl\n0.179619 0.195979 0.503007 Cl\n0.820382 0.804020 0.496993 Cl\n0.628902 0.628902 0.250000 Cl\n0.804020 0.820381 0.003007 Cl\n0.786520 0.275196 0.904702 Cl\n0.724803 0.213481 0.404702 Cl\n",
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{
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"created_at": "2022-09-04T14:37:03.775370Z",
"updated_at": "2022-09-04T14:37:03.775395Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.492388 0.032215 3.075741\n1.817617 5.183014 3.075741\n0.045155 0.032215 6.294798\nY Mn O\n2 4 8\ndirect\n0.617173 0.617173 0.617172 Y\n0.382827 0.382828 0.382827 Y\n0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000001 0.000000 0.500000 Mn\n0.197327 0.757688 0.757688 O\n0.242311 0.242313 0.802673 O\n0.242313 0.802673 0.242312 O\n0.246152 0.246152 0.246152 O\n0.757688 0.757688 0.197326 O\n0.802673 0.242313 0.242312 O\n0.757687 0.197328 0.757688 O\n0.753848 0.753849 0.753848 O\n",
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{
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"created_at": "2022-09-04T14:36:58.122719Z",
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"structure_string": "Na2 Mn4 O8\n1.0\n4.861160 0.000000 -0.993175\n0.000000 5.713556 0.000000\n0.289904 0.000000 5.782512\nNa Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.752060 0.500000 Mn\n0.500000 0.247941 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.200347 0.752614 0.682419 O\n0.799653 0.247387 0.317581 O\n0.799653 0.752614 0.317581 O\n0.200347 0.247387 0.682419 O\n0.696669 0.500000 0.673742 O\n0.303331 0.500000 0.326258 O\n0.697773 0.000000 0.673975 O\n0.302227 0.000000 0.326026 O\n",
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}
]
}