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{
"id": "jvasp-52250",
"created_at": "2022-09-04T14:38:03.827013Z",
"updated_at": "2022-09-04T14:38:03.827032Z",
"structure_string": "Li4 Cu2 F8\n1.0\n5.291301 0.000145 0.000145\n-0.000261 5.653448 0.026101\n-0.000021 -2.717262 4.816932\nLi Cu F\n4 2 8\ndirect\n0.951451 0.441892 0.916820 Li\n0.548553 0.441888 0.416819 Li\n0.480469 0.717086 0.980375 Li\n0.019538 0.717084 0.480375 Li\n0.493308 0.008576 0.542950 Cu\n0.006689 0.008576 0.042940 Cu\n0.867726 0.368336 0.244472 F\n0.842869 0.833832 0.227994 F\n0.657121 0.833836 0.728001 F\n0.632283 0.368339 0.744478 F\n0.349048 0.650618 0.295449 F\n0.376936 0.105386 0.268636 F\n0.123058 0.105384 0.768641 F\n0.150950 0.650623 0.795450 F\n",
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"structure_string": "Ca2 Mn2 Si4 O12\n1.0\n5.196130 -0.021263 0.999014\n1.186152 6.622948 0.601187\n-0.023994 0.025241 6.755043\nCa Mn Si O\n2 2 4 12\ndirect\n0.750001 0.302589 0.697411 Ca\n0.250000 0.697411 0.302588 Ca\n0.250000 0.095700 0.904300 Mn\n0.749999 0.904301 0.095699 Mn\n0.734105 0.805628 0.619746 Si\n0.765895 0.380255 0.194371 Si\n0.234106 0.619746 0.805628 Si\n0.265895 0.194371 0.380255 Si\n0.152404 0.786536 0.973542 O\n0.347598 0.026459 0.213464 O\n0.509603 0.326487 0.372450 O\n0.668563 0.608621 0.117800 O\n0.831435 0.882202 0.391380 O\n0.331436 0.391380 0.882201 O\n0.168564 0.117800 0.608620 O\n0.009602 0.372451 0.326487 O\n0.490398 0.673515 0.627549 O\n-0.009603 0.627550 0.673515 O\n0.847597 0.213465 0.026459 O\n0.652403 0.973542 0.786535 O\n",
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{
"id": "jvasp-12894",
"created_at": "2022-09-04T14:38:18.427534Z",
"updated_at": "2022-09-04T14:38:18.427552Z",
"structure_string": "Ca6 Al4 As8\n1.0\n8.287339 0.128175 0.243787\n0.235909 7.284702 2.730040\n0.187777 0.886840 7.730065\nCa Al As\n6 4 8\ndirect\n0.250000 0.847946 0.152054 Ca\n0.635359 0.639698 0.090902 Ca\n0.364642 0.360302 0.909098 Ca\n0.135359 0.090901 0.639698 Ca\n0.750000 0.152054 0.847946 Ca\n0.864642 0.909098 0.360302 Ca\n0.456173 0.807493 0.583284 Al\n0.543828 0.192506 0.416716 Al\n0.043828 0.416716 0.192506 Al\n0.956173 0.583284 0.807494 Al\n0.038815 0.228436 -0.004964 As\n0.669926 0.557631 0.738321 As\n0.830075 0.261678 0.442369 As\n0.169926 0.738321 0.557631 As\n0.330075 0.442369 0.261679 As\n0.961186 0.771563 0.004964 As\n0.538815 -0.004964 0.228436 As\n0.461186 0.004963 0.771564 As\n",
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"formula_full": "Ca6 Al4 As8",
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{
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"created_at": "2022-09-04T14:37:54.837230Z",
"updated_at": "2022-09-04T14:37:54.837255Z",
"structure_string": "Sc2 Al2 C2 O2\n1.0\n1.640476 0.947128 10.093025\n-1.640476 0.947128 10.093025\n0.000000 -1.894259 10.093025\nSc Al C O\n2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500000 Sc\n0.738711 0.738711 0.738709 Al\n0.261290 0.261290 0.261290 Al\n0.618382 0.618382 0.618381 C\n0.381619 0.381619 0.381618 C\n0.200001 0.200001 0.200001 O\n0.800000 0.800000 0.799997 O\n",
"nsites": 8,
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"formula_full": "Sc2 Al2 C2 O2",
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{
"id": "jvasp-98267",
"created_at": "2022-09-04T14:35:57.224855Z",
"updated_at": "2022-09-04T14:35:57.224872Z",
"structure_string": "Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n",
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"formula_full": "Ti4 Fe2 P4 O20",
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{
"id": "jvasp-118679",
"created_at": "2022-09-04T14:38:28.197142Z",
"updated_at": "2022-09-04T14:38:28.197166Z",
"structure_string": "Mg2 Cd1\n1.0\n3.120186 0.000000 0.000000\n0.000000 3.070983 0.000000\n0.000000 0.000000 7.909885\nMg Cd\n2 1\ndirect\n-0.033325 0.000000 0.683213 Mg\n-0.033325 0.000000 0.316788 Mg\n0.466649 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-42833",
"created_at": "2022-09-04T14:36:18.547925Z",
"updated_at": "2022-09-04T14:36:18.547951Z",
"structure_string": "Li2 Fe2 O2 F4\n1.0\n1.632156 -2.826978 0.000000\n1.632156 2.826978 -0.000000\n0.000000 0.000000 11.913448\nLi Fe O F\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.250000 Fe\n0.666668 0.333334 0.750000 Fe\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.333334 0.666668 0.416178 F\n0.333334 0.666668 0.083822 F\n0.666668 0.333334 0.583822 F\n0.666668 0.333334 0.916178 F\n",
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{
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"created_at": "2022-09-04T14:37:55.604478Z",
"updated_at": "2022-09-04T14:37:55.604512Z",
"structure_string": "Mg3 Cd1\n1.0\n4.434987 0.000000 0.000000\n0.000000 4.434987 0.000000\n-0.000000 -0.000000 4.434987\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
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{
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"created_at": "2022-09-04T14:35:45.078867Z",
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"structure_string": "V4 O3 F9\n1.0\n-5.110101 0.000000 0.000000\n-2.555050 -4.643801 -0.009848\n0.000000 -2.767757 8.379029\nV O F\n4 3 9\ndirect\n0.715755 0.529617 0.249052 V\n0.495371 0.970383 0.500948 V\n0.270698 0.509529 0.746760 V\n0.030227 0.990471 0.003240 V\n0.536761 0.750000 0.375000 O\n0.407624 0.757462 0.083778 O\n0.415085 0.742538 0.666222 O\n0.928556 0.743911 0.573866 F\n0.922467 0.756089 0.176133 F\n0.970907 0.265085 0.122533 F\n0.579948 0.244255 0.325615 F\n0.577217 0.244807 0.930762 F\n0.485993 0.234915 0.627467 F\n0.017158 0.750000 0.875000 F\n0.072025 0.255194 0.819238 F\n0.074203 0.255746 0.424385 F\n",
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{
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"structure_string": "K2 Ag2\n1.0\n6.509758 0.332582 -0.126080\n-1.475912 -4.387836 -0.698259\n-0.135384 0.812295 -4.787030\nK Ag\n2 2\ndirect\n0.127043 0.114472 0.831000 K\n0.546844 0.823905 0.330797 K\n0.714179 0.407463 0.830843 Ag\n-0.040298 0.530846 0.330993 Ag\n",
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{
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"structure_string": "Mn1 Ga2 S4\n1.0\n4.895783 0.000001 -2.310485\n-1.090396 4.772812 -2.310485\n0.046859 0.058771 6.441475\nMn Ga S\n1 2 4\ndirect\n0.749999 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.869760 0.855236 0.235969 S\n0.619267 0.130238 0.764031 S\n0.144763 0.633794 0.764031 S\n0.366205 0.380732 0.235969 S\n",
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"structure_string": "K2 Ti1 Ag1 F6\n1.0\n5.318018 -0.000000 3.070359\n1.772673 5.013876 3.070359\n-0.000000 -0.000000 6.140718\nK Ti Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750001 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ag\n0.227283 0.227283 0.772718 F\n0.227282 0.772718 0.772718 F\n0.772717 0.772718 0.227283 F\n0.227282 0.772718 0.227283 F\n0.772717 0.227283 0.772718 F\n0.772717 0.227283 0.227283 F\n",
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}