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{
"id": "jvasp-66298",
"created_at": "2022-09-04T14:35:56.812789Z",
"updated_at": "2022-09-04T14:35:56.812820Z",
"structure_string": "Ba1 Na1 Zr1\n1.0\n0.000000 3.838017 3.838017\n3.838017 0.000000 3.838017\n3.838017 3.838017 0.000000\nBa Na Zr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zr\n",
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{
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"structure_string": "Ba2 Cl1\n1.0\n4.080616 0.000000 0.868041\n0.000000 3.956789 0.000000\n0.260129 0.000000 8.689112\nBa Cl\n2 1\ndirect\n0.106966 0.000000 -0.148413 Ba\n-0.173661 0.000000 0.415085 Ba\n0.466695 0.000000 0.133328 Cl\n",
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{
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"created_at": "2022-09-04T14:37:01.762412Z",
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"structure_string": "Y2 Cl2\n1.0\n3.683964 0.013559 8.755002\n1.777920 3.226574 8.755002\n0.022856 0.013559 9.498479\nY Cl\n2 2\ndirect\n0.217559 0.217559 0.217559 Y\n0.782441 0.782441 0.782441 Y\n0.386680 0.386680 0.386680 Cl\n0.613320 0.613320 0.613320 Cl\n",
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{
"id": "jvasp-103660",
"created_at": "2022-09-04T14:36:40.673404Z",
"updated_at": "2022-09-04T14:36:40.673438Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.639713 -0.000000 0.000000\n0.000000 5.639713 0.000000\n-0.000000 -0.000000 5.639713\nRb Pb Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
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"formula_full": "Rb1 Pb1 Cl3",
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"spacegroup": 221
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{
"id": "jvasp-30608",
"created_at": "2022-09-04T14:37:01.005685Z",
"updated_at": "2022-09-04T14:37:01.005710Z",
"structure_string": "Mn1 S2\n1.0\n6.517804 -0.316309 -0.187344\n5.911187 2.763998 -0.187344\n5.911187 1.164114 2.513886\nMn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.593095 0.593093 0.593098 S\n0.406904 0.406903 0.406906 S\n",
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"elements": [
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"density": 3.6934364642143502,
"density_atomic": 0.05604121815379269,
"volume": 53.53202694072719,
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"formula_full": "Mn1 S2",
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"spacegroup": 166
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{
"id": "jvasp-117286",
"created_at": "2022-09-04T14:38:26.120607Z",
"updated_at": "2022-09-04T14:38:26.120635Z",
"structure_string": "Li2 Mn4 F12\n1.0\n4.680163 0.000000 0.000000\n0.000000 4.680163 0.000000\n-0.000000 -0.000000 9.474983\nLi Mn F\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.165671 Mn\n0.000000 0.000000 0.334329 Mn\n0.000000 0.000000 0.665670 Mn\n0.500000 0.500000 0.834329 Mn\n0.202453 0.202453 0.828820 F\n0.702452 0.297547 0.671179 F\n0.297547 0.702452 0.671179 F\n0.801414 0.801414 0.500000 F\n0.198585 0.198585 0.500000 F\n0.797547 0.797547 0.171179 F\n0.297547 0.702452 0.328820 F\n0.797547 0.797547 0.828820 F\n0.202453 0.202453 0.171179 F\n0.301415 0.698585 -0.000000 F\n0.702452 0.297547 0.328820 F\n0.698585 0.301415 -0.000000 F\n",
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"volume": 207.53932370300427,
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"formula_full": "Li2 Mn4 F12",
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{
"id": "jvasp-12933",
"created_at": "2022-09-04T14:37:10.378896Z",
"updated_at": "2022-09-04T14:37:10.378915Z",
"structure_string": "Y4 N2 Cl6\n1.0\n3.749212 0.000000 0.771663\n1.416510 7.398493 2.611548\n-0.032304 -0.027228 9.650786\nY N Cl\n4 2 6\ndirect\n0.136036 0.022703 0.705226 Y\n0.863965 0.977296 0.294774 Y\n0.410904 0.227837 0.950357 Y\n0.589097 0.772162 0.049643 Y\n0.575787 0.006014 0.842413 N\n0.424214 0.993986 0.157587 N\n0.946918 0.366481 0.739682 Cl\n0.053083 0.633518 0.260319 Cl\n0.338166 0.806321 0.517348 Cl\n0.661835 0.193679 0.482653 Cl\n0.227644 0.658769 0.885947 Cl\n0.772357 0.341231 0.114054 Cl\n",
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"density_atomic": 0.04475611768208812,
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
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{
"id": "jvasp-12231",
"created_at": "2022-09-04T14:38:10.644964Z",
"updated_at": "2022-09-04T14:38:10.644984Z",
"structure_string": "K1 Fe1 Mo2 O8\n1.0\n2.794132 -4.839578 -0.000000\n2.794132 4.839578 0.000000\n-0.000000 0.000000 6.896289\nK Fe Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.258986 Mo\n0.666667 0.333333 0.741015 Mo\n0.333333 0.666667 0.006676 O\n0.666667 0.333333 0.993324 O\n0.684743 0.842371 0.340285 O\n0.157628 0.315256 0.340285 O\n0.842372 0.157628 0.659715 O\n0.315256 0.157628 0.659715 O\n0.157628 0.842372 0.340285 O\n0.842371 0.684743 0.659715 O\n",
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"formula_full": "K1 Fe1 Mo2 O8",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-36000",
"created_at": "2022-09-04T14:37:09.001395Z",
"updated_at": "2022-09-04T14:37:09.001408Z",
"structure_string": "Sn2 S4\n1.0\n5.088326 -0.000000 -2.314225\n-1.052534 4.978274 -2.314225\n-0.077701 -0.095847 6.580163\nSn S\n2 4\ndirect\n0.250001 0.749999 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.856299 0.874999 0.250001 S\n0.625001 0.143701 0.750000 S\n0.393703 0.375000 0.250000 S\n0.125001 0.606297 0.750000 S\n",
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{
"id": "jvasp-113739",
"created_at": "2022-09-04T14:38:49.096079Z",
"updated_at": "2022-09-04T14:38:49.096099Z",
"structure_string": "Fe1 As1 O4\n1.0\n-2.726928 2.726928 2.944292\n2.726928 -2.726928 2.944292\n2.726928 2.726928 -2.944292\nFe As O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750000 0.500000 As\n0.178234 0.748993 0.118994 O\n0.630000 0.059240 0.881006 O\n0.251006 0.370000 0.429241 O\n-0.059240 0.821766 0.570760 O\n",
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"formula_full": "Fe1 As1 O4",
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},
{
"id": "jvasp-119519",
"created_at": "2022-09-04T14:38:51.741159Z",
"updated_at": "2022-09-04T14:38:51.741192Z",
"structure_string": "K4 Co4 O8\n1.0\n6.156214 0.868845 1.495656\n-1.314818 5.365351 2.200008\n-0.102292 0.388020 7.001906\nK Co O\n4 4 8\ndirect\n0.816860 0.633737 0.732341 K\n0.316858 0.633735 0.732340 K\n0.183140 0.366265 0.267663 K\n0.683142 0.366265 0.267661 K\n0.949353 0.898676 0.202767 Co\n0.550647 0.101326 0.797234 Co\n0.449348 0.898677 0.202766 Co\n0.050652 0.101324 0.797234 Co\n0.000004 0.238142 0.000079 O\n0.500002 0.238143 0.000081 O\n-0.000002 0.761858 0.999921 O\n0.499996 0.761857 0.999923 O\n0.840815 0.181465 0.637042 O\n0.340813 0.181465 0.637042 O\n0.159187 0.818535 0.362959 O\n0.659184 0.818536 0.362959 O\n",
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{
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"created_at": "2022-09-04T14:38:31.757316Z",
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"structure_string": "Li4 Mn1 Co3 P4 O16\n1.0\n0.000000 4.712473 -0.009603\n5.950077 0.000000 0.000000\n0.000000 0.013635 -10.254048\nLi Mn Co P O\n4 1 3 4 16\ndirect\n0.996432 0.250697 0.996317 Li\n0.996432 0.749304 0.996317 Li\n0.502465 0.747917 0.503364 Li\n0.502465 0.252084 0.503364 Li\n0.018688 0.000000 0.279389 Mn\n0.979767 0.500000 0.723134 Co\n0.519900 0.500000 0.219645 Co\n0.477071 0.000000 0.778173 Co\n0.085854 0.500000 0.408044 P\n0.419065 0.500000 0.905294 P\n0.576005 0.000000 0.089333 P\n0.920368 0.000000 0.597846 P\n0.225577 0.705339 0.336382 O\n0.245278 0.000000 0.597299 O\n0.251208 0.000000 0.090899 O\n0.283402 0.293386 0.832625 O\n0.283402 0.706615 0.832625 O\n0.289419 0.500000 0.044664 O\n0.707033 0.000000 0.950316 O\n0.784486 0.207288 0.669644 O\n0.709929 0.207072 0.161881 O\n0.744037 0.500000 0.904207 O\n0.760912 0.500000 0.404400 O\n0.784486 0.792712 0.669644 O\n0.225577 0.294661 0.336382 O\n0.791965 0.000000 0.458534 O\n0.709929 0.792928 0.161881 O\n0.208830 0.500000 0.548396 O\n",
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