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"results": [
{
"id": "jvasp-42633",
"created_at": "2022-09-04T14:36:10.233213Z",
"updated_at": "2022-09-04T14:36:10.233249Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 5.262601 0.187635\n5.955804 0.000000 0.000000\n0.000000 -5.010359 -9.465336\nLi Mn P O\n2 4 4 16\ndirect\n0.069119 0.370417 0.445374 Li\n0.069119 0.629583 0.945375 Li\n0.440238 0.879751 0.667230 Mn\n0.532443 0.356896 0.856060 Mn\n0.440237 0.120249 0.167230 Mn\n0.532443 0.643104 0.356060 Mn\n0.899510 0.603699 0.632283 P\n0.100015 0.110553 0.863550 P\n0.100014 0.889446 0.363550 P\n0.899510 0.396301 0.132283 P\n0.764189 0.879518 0.268825 O\n0.798144 0.818031 0.535664 O\n0.772782 0.420415 0.510230 O\n0.213554 0.919801 0.974391 O\n0.223539 0.331815 0.951148 O\n0.774614 0.388326 0.234818 O\n0.242393 0.589838 0.720011 O\n0.223539 0.668185 0.451148 O\n0.798144 0.181968 0.035664 O\n0.772782 0.579585 0.010230 O\n0.213554 0.080198 0.474391 O\n0.764189 0.120482 0.768825 O\n0.242393 0.410161 0.220010 O\n0.253023 0.894887 0.267794 O\n0.253024 0.105112 0.767794 O\n0.774614 0.611674 0.734818 O\n",
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{
"id": "jvasp-86443",
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"structure_string": "Cu3 P2 O8\n1.0\n4.861739 0.010026 0.271945\n1.859099 4.804860 1.632725\n0.009538 0.012101 6.240045\nCu P O\n3 2 8\ndirect\n0.727231 0.778555 0.681266 Cu\n0.272770 0.221445 0.318735 Cu\n0.000000 0.000000 0.000000 Cu\n0.640034 0.654068 0.220741 P\n0.359967 0.345933 0.779260 P\n0.623414 0.855680 0.361127 O\n0.376587 0.144321 0.638873 O\n0.772269 0.777021 0.993239 O\n0.227732 0.222979 0.006762 O\n0.668784 0.342106 0.832030 O\n0.841661 0.357686 0.343362 O\n0.158340 0.642315 0.656638 O\n0.331217 0.657895 0.167971 O\n",
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{
"id": "jvasp-117908",
"created_at": "2022-09-04T14:38:50.227188Z",
"updated_at": "2022-09-04T14:38:50.227209Z",
"structure_string": "Ru1 C1 N1\n1.0\n2.380582 1.374430 1.710945\n-2.380582 1.374430 1.710945\n-0.000000 -2.748859 1.710945\nRu C N\n1 1 1\ndirect\n0.976579 0.976579 0.976579 Ru\n0.602749 0.602749 0.602749 C\n0.365670 0.365670 0.365670 N\n",
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{
"id": "jvasp-92764",
"created_at": "2022-09-04T14:35:51.148566Z",
"updated_at": "2022-09-04T14:35:51.148591Z",
"structure_string": "K1 V1 O3\n1.0\n3.825438 0.000000 0.000000\n-0.000000 3.825438 0.000000\n-0.000000 0.000000 3.825438\nK V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"volume": 55.98136746774393,
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"formula_full": "K1 V1 O3",
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},
{
"id": "jvasp-34558",
"created_at": "2022-09-04T14:37:12.947081Z",
"updated_at": "2022-09-04T14:37:12.947106Z",
"structure_string": "Si8 O16\n1.0\n4.193177 -0.000000 0.000000\n-0.000000 7.697544 0.000000\n0.000000 0.000000 8.325300\nSi O\n8 16\ndirect\n0.233398 0.880138 0.884768 Si\n0.766603 0.380139 0.615232 Si\n0.233398 0.119861 0.615232 Si\n0.233398 0.619861 0.384768 Si\n0.766603 0.619861 0.884768 Si\n0.233398 0.380139 0.115232 Si\n0.766603 0.880138 0.384768 Si\n0.766603 0.119861 0.115232 Si\n0.586902 0.000000 0.250000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.750000 0.785149 O\n0.000000 0.000000 0.000000 O\n0.500000 0.750000 0.971686 O\n0.500000 0.750000 0.471686 O\n0.500000 0.250000 0.028314 O\n0.000000 0.250000 0.214851 O\n0.413098 0.500000 0.250000 O\n0.500000 0.250000 0.528314 O\n0.000000 0.500000 0.000000 O\n0.413098 0.000000 0.750000 O\n0.000000 0.750000 0.285149 O\n0.000000 0.250000 0.714851 O\n0.586902 0.500000 0.750000 O\n0.000000 0.000000 0.500000 O\n",
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"elements": [
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{
"id": "jvasp-111330",
"created_at": "2022-09-04T14:38:52.046106Z",
"updated_at": "2022-09-04T14:38:52.046122Z",
"structure_string": "V1 Ga1 Ni6\n1.0\n3.554688 0.000000 0.000000\n0.000000 3.554688 0.000000\n-0.000000 -0.000000 7.088836\nV Ga Ni\n1 1 6\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.256689 Ni\n0.500000 0.000000 0.743311 Ni\n-0.000000 0.500000 0.256689 Ni\n-0.000000 0.500000 0.743311 Ni\n",
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"volume": 89.57316197228013,
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"formula_full": "V1 Ga1 Ni6",
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},
{
"id": "jvasp-109211",
"created_at": "2022-09-04T14:37:57.198371Z",
"updated_at": "2022-09-04T14:37:57.198401Z",
"structure_string": "Cr2 S1 N2\n1.0\n3.257707 0.009935 0.001559\n-1.635693 2.815278 0.000000\n-0.004496 -0.002612 6.093474\nCr S N\n2 1 2\ndirect\n0.666744 0.333374 0.696484 Cr\n0.333258 0.666629 0.303516 Cr\n0.000000 0.000000 0.000000 S\n0.666885 0.333444 0.369502 N\n0.333117 0.666560 0.630497 N\n",
"nsites": 5,
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},
{
"id": "jvasp-104790",
"created_at": "2022-09-04T14:36:49.558933Z",
"updated_at": "2022-09-04T14:36:49.558971Z",
"structure_string": "Na2 Mn2 O4\n1.0\n3.130125 -0.027276 -0.537017\n-0.267978 4.764115 1.879174\n0.030969 -0.007093 6.001927\nNa Mn O\n2 2 4\ndirect\n0.250017 0.750018 0.499999 Na\n0.750018 0.250017 0.500000 Na\n0.500012 0.500011 -0.000001 Mn\n0.000011 0.000011 0.000000 Mn\n0.138363 0.217764 0.208354 O\n0.638364 0.717764 0.208353 O\n0.861660 0.782259 0.791645 O\n0.361659 0.282259 0.791646 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-49239",
"created_at": "2022-09-04T14:37:53.569505Z",
"updated_at": "2022-09-04T14:37:53.569539Z",
"structure_string": "Ce1 Sc3 B4 O12\n1.0\n6.117905 -0.018740 -1.456156\n-1.839273 5.834911 -1.456156\n-0.013786 -0.018740 6.288797\nCe Sc B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.451758 0.548242 Sc\n0.548242 -0.000000 0.451758 Sc\n0.451759 0.548241 -0.000001 Sc\n0.500000 0.500000 0.500000 B\n0.500000 0.049816 0.950184 B\n0.950184 0.500000 0.049816 B\n0.049817 0.950183 0.500000 B\n0.500000 0.640249 0.359750 O\n0.359750 0.500000 0.640249 O\n0.640250 0.359750 0.500000 O\n0.627373 0.030729 0.799170 O\n0.030729 0.799170 0.627373 O\n0.969272 0.372627 0.200829 O\n0.200830 0.969271 0.372626 O\n0.372627 0.200830 0.969271 O\n0.500001 0.909741 0.090258 O\n0.090258 0.500000 0.909742 O\n0.909742 0.090258 0.500000 O\n0.799171 0.627373 0.030728 O\n",
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{
"id": "jvasp-44359",
"created_at": "2022-09-04T14:36:53.130997Z",
"updated_at": "2022-09-04T14:36:53.131028Z",
"structure_string": "Ta2 V2 O8\n1.0\n0.000000 4.716034 3.020678\n0.000000 4.716034 -3.020678\n-4.716034 0.000000 -3.020678\nTa V O\n2 2 8\ndirect\n0.759339 0.740660 0.500000 Ta\n0.509339 0.490660 0.000000 Ta\n0.245786 0.254214 0.500000 V\n0.995786 0.004213 0.000000 V\n0.542169 0.254877 0.797047 O\n0.054185 0.747687 0.801871 O\n0.995122 0.301925 0.702952 O\n0.502312 0.799558 0.698128 O\n0.995122 0.707829 0.297047 O\n0.502313 0.195814 0.301871 O\n0.948074 0.254876 0.202953 O\n0.450441 0.747686 0.198128 O\n",
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"volume": 134.3656579668927,
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},
{
"id": "jvasp-52224",
"created_at": "2022-09-04T14:36:50.218521Z",
"updated_at": "2022-09-04T14:36:50.218531Z",
"structure_string": "Li1 Cu5 F12\n1.0\n4.659249 -0.011762 0.000000\n0.064966 4.658811 0.000000\n0.000000 0.000000 9.285426\nLi Cu F\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.327109 Cu\n0.000000 0.000000 0.672892 Cu\n0.500001 0.500000 0.162463 Cu\n0.500001 0.500000 0.500000 Cu\n0.500001 0.500000 0.837538 Cu\n0.799478 0.200522 0.169725 F\n0.695380 0.695379 0.667418 F\n0.695380 0.695379 0.332582 F\n0.694966 0.694965 0.000000 F\n0.305035 0.305035 0.000000 F\n0.200523 0.799478 0.830275 F\n0.304621 0.304621 0.332582 F\n0.799478 0.200522 0.830275 F\n0.200523 0.799478 0.169725 F\n0.194103 0.805898 0.500000 F\n0.304621 0.304621 0.667418 F\n0.805898 0.194102 0.500000 F\n",
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{
"id": "jvasp-52907",
"created_at": "2022-09-04T14:36:54.565408Z",
"updated_at": "2022-09-04T14:36:54.565429Z",
"structure_string": "Mg2 H12 N4 Cl4\n1.0\n-4.060868 4.048053 3.746728\n4.060868 -4.048053 3.746728\n4.060868 4.048053 -3.746728\nMg H N Cl\n2 12 4 4\ndirect\n0.750000 0.745123 0.995122 Mg\n0.250000 0.254878 0.004878 Mg\n0.670116 0.437927 0.390543 H\n0.952617 0.562074 0.232189 H\n0.170117 0.779573 0.232190 H\n0.329884 0.562074 0.609457 H\n0.047383 0.437927 0.767811 H\n0.452617 0.220428 0.390543 H\n0.547383 0.779573 0.609457 H\n0.073243 0.847118 0.420360 H\n0.573242 0.152883 0.226124 H\n0.926757 0.152883 0.579640 H\n0.426758 0.847118 0.773875 H\n0.829883 0.220428 0.767810 H\n0.483880 0.734005 0.717884 N\n0.983880 0.265997 0.749875 N\n0.516119 0.265997 0.282116 N\n0.016120 0.734005 0.250125 N\n0.991615 0.207698 0.216082 Cl\n0.491615 0.275533 0.783917 Cl\n0.508385 0.724467 0.216083 Cl\n0.008385 0.792302 0.783917 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.08929876667875764,
"volume": 246.36398483690766,
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"formula_full": "Mg2 H12 N4 Cl4",
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}
]
}