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{
"id": "jvasp-43857",
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"structure_string": "Li4 V2 O4 F2\n1.0\n0.000000 5.093422 -0.045584\n2.879323 0.000000 0.000000\n0.000000 0.029730 -7.201421\nLi V O F\n4 2 4 2\ndirect\n0.581303 0.250000 0.838566 Li\n0.236464 0.250000 0.487451 Li\n0.418696 0.749999 0.161433 Li\n0.763535 0.749999 0.512548 Li\n0.063987 0.749999 0.832675 V\n0.936012 0.250000 0.167324 V\n0.241035 0.250000 0.992384 O\n0.758964 0.749999 0.007616 O\n0.076418 0.749999 0.323907 O\n0.923582 0.250000 0.676092 O\n0.410741 0.749999 0.665974 F\n0.589259 0.250000 0.334025 F\n",
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{
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"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.457071 0.021304 -3.006107\n-3.881908 5.970305 -0.130952\n0.013797 -0.005308 8.348496\nTl P Au Se\n2 2 2 6\ndirect\n0.943195 0.285592 0.228788 Tl\n0.056804 0.714407 0.771212 Tl\n0.621676 0.030827 0.652504 P\n0.378324 0.969173 0.347497 P\n0.760275 0.760275 -0.000000 Au\n0.239725 0.239725 -0.000000 Au\n0.422825 0.764265 0.187090 Se\n0.518455 0.322601 0.327319 Se\n0.577175 0.235735 0.812910 Se\n0.481545 0.677398 0.672682 Se\n0.004717 0.808864 0.327319 Se\n0.995283 0.191136 0.672681 Se\n",
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{
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"created_at": "2022-09-04T14:36:17.437282Z",
"updated_at": "2022-09-04T14:36:17.437314Z",
"structure_string": "Li2 V2 F8\n1.0\n4.011494 0.007604 -0.003423\n-0.012100 6.523934 -0.020490\n-1.990430 -1.851726 5.956140\nLi V F\n2 2 8\ndirect\n0.913034 0.799720 0.829081 Li\n0.085564 0.201507 0.172314 Li\n0.795458 0.206327 0.593475 V\n0.203055 0.794902 0.407918 V\n0.927086 0.117959 0.857507 F\n0.863111 0.496602 0.729479 F\n0.277569 0.145382 0.557541 F\n0.353642 0.797026 0.710178 F\n0.644877 0.204209 0.291219 F\n0.720940 0.855844 0.443847 F\n0.135461 0.504630 0.271909 F\n0.071412 0.883272 0.143886 F\n",
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"density_atomic": 0.07708088845711887,
"volume": 155.68061344642857,
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{
"id": "jvasp-63408",
"created_at": "2022-09-04T14:36:17.366199Z",
"updated_at": "2022-09-04T14:36:17.366232Z",
"structure_string": "Rb1 Au1 Se2 O8\n1.0\n2.661461 5.381326 -0.018320\n-2.661461 5.381326 -0.018320\n0.000000 3.263090 6.584392\nRb Au Se O\n1 1 2 8\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.299385 0.299385 0.160554 Se\n0.700616 0.700616 0.839446 Se\n0.323102 0.323102 0.924992 O\n0.676899 0.676899 0.075007 O\n0.134310 0.634174 0.213475 O\n0.365827 0.865691 0.786525 O\n0.865691 0.365827 0.786525 O\n0.634174 0.134310 0.213475 O\n0.141526 0.141526 0.341430 O\n0.858475 0.858475 0.658570 O\n",
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"formula_full": "Rb1 Au1 Se2 O8",
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{
"id": "jvasp-11779",
"created_at": "2022-09-04T14:36:31.911812Z",
"updated_at": "2022-09-04T14:36:31.911832Z",
"structure_string": "Fe2 S2 O8\n1.0\n4.827247 0.050026 0.000000\n-1.862311 4.453832 -0.000000\n0.000000 -0.000000 6.262935\nFe S O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.647682 0.352319 0.250000 S\n0.352319 0.647682 0.749999 S\n0.236728 0.311195 0.749999 O\n0.763273 0.688806 0.250000 O\n0.311195 0.236728 0.250000 O\n0.688806 0.763272 0.749999 O\n0.251273 0.748727 0.945423 O\n0.748728 0.251273 0.445423 O\n0.748728 0.251273 0.054576 O\n0.251273 0.748727 0.554576 O\n",
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"density": 3.730521039939233,
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"volume": 135.23499887166167,
"volume_molar": 6.786701657363231,
"formula_full": "Fe2 S2 O8",
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{
"id": "jvasp-61305",
"created_at": "2022-09-04T14:36:17.277896Z",
"updated_at": "2022-09-04T14:36:17.277917Z",
"structure_string": "Mg4 B2 Br2 N4\n1.0\n3.317800 4.600232 0.006977\n-3.317800 4.600232 0.006977\n0.000000 2.166813 6.120650\nMg B Br N\n4 2 2 4\ndirect\n0.345895 0.142988 0.335442 Mg\n0.857011 0.654104 0.164559 Mg\n0.654104 0.857011 0.664559 Mg\n0.142988 0.345895 0.835442 Mg\n0.112150 0.887849 0.750000 B\n0.887849 0.112150 0.250000 B\n0.630915 0.369084 0.750000 Br\n0.369084 0.630915 0.250000 Br\n0.266937 0.042307 0.678819 N\n0.957692 0.733062 0.821182 N\n0.733062 0.957692 0.321182 N\n0.042307 0.266937 0.178819 N\n",
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"volume": 186.7343581009528,
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{
"id": "jvasp-10481",
"created_at": "2022-09-04T14:36:32.000242Z",
"updated_at": "2022-09-04T14:36:32.000262Z",
"structure_string": "K4 Na2 Al2 As4\n1.0\n6.029266 -0.000000 -2.400363\n-1.024763 6.109329 -2.574015\n0.016534 0.033440 8.813911\nK Na Al As\n4 2 2 4\ndirect\n0.324256 0.558766 0.648512 K\n0.175745 0.910255 0.351487 K\n0.675745 0.441234 0.351488 K\n0.824256 0.089746 0.648513 K\n0.250000 0.500000 -0.000000 Na\n0.750001 0.500000 0.000000 Na\n0.250000 -0.000000 0.000000 Al\n0.750001 -0.000000 0.000000 Al\n0.904021 0.701411 0.808041 As\n0.095980 0.298589 0.191959 As\n0.595980 0.893370 0.191959 As\n0.404020 0.106630 0.808041 As\n",
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"volume": 325.5020710362076,
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"formula_full": "K4 Na2 Al2 As4",
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{
"id": "jvasp-86367",
"created_at": "2022-09-04T14:36:17.208903Z",
"updated_at": "2022-09-04T14:36:17.208921Z",
"structure_string": "Ni4 S8\n1.0\n5.633267 -0.000000 0.000000\n0.000000 5.633267 0.000000\n0.000000 -0.000000 5.633267\nNi S\n4 8\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.393186 0.106814 0.893186 S\n0.106814 0.893186 0.393186 S\n0.893186 0.393186 0.106814 S\n0.606814 0.606814 0.606814 S\n0.393186 0.393186 0.393186 S\n0.106814 0.606814 0.893186 S\n0.893186 0.106814 0.606814 S\n0.606814 0.893186 0.106814 S\n",
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{
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"created_at": "2022-09-04T14:36:32.233922Z",
"updated_at": "2022-09-04T14:36:32.233940Z",
"structure_string": "Cr2 F10\n1.0\n5.203657 0.692458 -0.231623\n2.375387 4.682944 -0.221316\n2.440083 1.716619 6.431747\nCr F\n2 10\ndirect\n0.001469 0.000136 0.001185 Cr\n0.001464 0.000141 0.501181 Cr\n0.854694 0.146802 0.751162 F\n0.148234 0.853447 0.251198 F\n0.965378 0.672176 0.631199 F\n0.329443 0.036211 0.871142 F\n0.210298 0.611739 0.963871 F\n0.389880 0.791247 0.538697 F\n0.792650 0.388536 0.038493 F\n0.613066 0.209041 0.463632 F\n0.673486 0.964077 0.131225 F\n0.037568 0.328092 0.371143 F\n",
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{
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"structure_string": "Nd1 Mg2 Ni9\n1.0\n4.660954 -0.007224 6.956523\n2.109700 4.156164 6.956523\n-0.011789 -0.007224 8.373622\nNd Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Nd\n0.855661 0.855663 0.855662 Mg\n0.144337 0.144338 0.144337 Mg\n0.917544 0.412977 0.412975 Ni\n0.587024 0.587024 0.082455 Ni\n0.666485 0.666487 0.666485 Ni\n0.412975 0.917545 0.412976 Ni\n0.587023 0.082456 0.587024 Ni\n0.333514 0.333514 0.333514 Ni\n0.499999 0.500001 0.500000 Ni\n0.412975 0.412977 0.917545 Ni\n0.082455 0.587024 0.587024 Ni\n",
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{
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"created_at": "2022-09-04T14:36:32.176366Z",
"updated_at": "2022-09-04T14:36:32.176392Z",
"structure_string": "Ba4 Na8\n1.0\n3.615046 -6.261444 0.000000\n3.615046 6.261444 0.000000\n0.000000 0.000000 11.676010\nBa Na\n4 8\ndirect\n0.666667 0.333334 0.560628 Ba\n0.333334 0.666667 0.060628 Ba\n0.333334 0.666667 0.439372 Ba\n0.666667 0.333334 0.939372 Ba\n0.830693 0.661385 0.250000 Na\n0.661385 0.830693 0.750000 Na\n0.169308 0.830693 0.750000 Na\n0.830693 0.169308 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.169308 0.338616 0.750000 Na\n0.338616 0.169308 0.250000 Na\n",
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{
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"created_at": "2022-09-04T14:36:32.510109Z",
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"structure_string": "Mg2 Cr2 O8\n1.0\n5.010058 0.020413 0.000000\n-1.970806 4.606194 0.000000\n-0.000000 0.000000 6.365728\nMg Cr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.360289 0.639710 0.750000 Cr\n0.639710 0.360289 0.250000 Cr\n0.728068 0.777880 0.750000 O\n0.271931 0.222118 0.250000 O\n0.777881 0.728067 0.250000 O\n0.222118 0.271931 0.750000 O\n0.247292 0.752707 0.958568 O\n0.752707 0.247292 0.458568 O\n0.752707 0.247292 0.041432 O\n0.247292 0.752707 0.541432 O\n",
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}
]
}