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{
"id": "jvasp-53114",
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"structure_string": "Na1 V2 S4\n1.0\n0.000000 5.847757 -0.160393\n3.393011 0.000000 0.000000\n0.000000 -1.441643 -6.855116\nNa V S\n1 2 4\ndirect\n0.655305 0.500000 0.498963 Na\n0.026544 0.000000 0.993671 V\n0.470326 0.500000 0.989812 V\n0.627446 0.000000 0.805887 S\n0.379572 0.000000 0.209282 S\n0.118514 0.500000 0.774446 S\n0.872295 0.500000 0.177940 S\n",
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{
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"structure_string": "Mg1 O2\n1.0\n2.913015 0.006839 2.648285\n1.175706 2.665223 2.648285\n0.010465 0.006839 3.936871\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.571844 0.571844 0.571844 O\n0.428155 0.428155 0.428155 O\n",
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{
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"structure_string": "Y1 Cl1 O1\n1.0\n4.450021 -0.000000 -0.000000\n-2.225010 3.853831 0.000000\n0.000000 -0.000000 4.423491\nY Cl O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:28.036847Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n5.252208 0.000000 -0.835176\n-2.626103 4.538614 0.417588\n-1.215482 -0.000000 7.696592\nLi Cu P O\n2 2 2 8\ndirect\n-0.013981 0.181915 0.970403 Li\n0.804104 0.818084 0.470403 Li\n0.301352 0.889137 0.326752 Cu\n0.412214 0.110862 0.826752 Cu\n0.326222 0.642448 0.696754 P\n0.683775 0.357551 0.196754 P\n0.104598 0.770078 0.661899 O\n0.405337 0.643046 0.521249 O\n0.192105 0.328232 0.774920 O\n0.603072 -0.132913 0.839424 O\n0.334519 0.229921 0.161899 O\n0.762291 0.356953 0.021248 O\n0.863873 0.671767 0.274920 O\n0.735985 0.132913 0.339425 O\n",
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"formula_full": "Li2 Cu2 P2 O8",
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{
"id": "jvasp-116242",
"created_at": "2022-09-04T14:38:42.050270Z",
"updated_at": "2022-09-04T14:38:42.050299Z",
"structure_string": "Li1 As1\n1.0\n4.413844 0.000000 0.000000\n-2.206922 3.822501 0.000000\n0.000000 -0.000000 2.622543\nLi As\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 As\n",
"nsites": 2,
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{
"id": "jvasp-108864",
"created_at": "2022-09-04T14:38:09.782209Z",
"updated_at": "2022-09-04T14:38:09.782243Z",
"structure_string": "Rb2 In1 As1 Cl6\n1.0\n6.578644 -0.000000 3.798182\n2.192881 6.202405 3.798182\n-0.000000 -0.000000 7.596363\nRb In As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.764963 0.235037 0.235037 Cl\n0.235037 0.235037 0.764963 Cl\n0.235037 0.764963 0.764963 Cl\n0.235037 0.764963 0.235037 Cl\n0.764963 0.235037 0.764963 Cl\n0.764963 0.764963 0.235037 Cl\n",
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{
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"created_at": "2022-09-04T14:37:51.913112Z",
"updated_at": "2022-09-04T14:37:51.913139Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n-4.581065 -5.301520 2.461599\n-4.581065 5.301520 2.461599\n0.028270 0.000000 -9.868922\nK Ca Si O\n4 6 6 20\ndirect\n0.230500 0.478869 0.988846 K\n0.521132 0.769501 0.511154 K\n0.769501 0.521132 0.011154 K\n0.478869 0.230500 0.488846 K\n0.368403 0.631598 0.750000 Ca\n0.631598 0.368403 0.250000 Ca\n0.227479 0.990639 0.985664 Ca\n0.009362 0.772522 0.514336 Ca\n0.772522 0.009362 0.014336 Ca\n0.990639 0.227479 0.485664 Ca\n0.840335 0.159666 0.750000 Si\n0.159666 0.840335 0.250000 Si\n0.853296 0.582287 0.710588 Si\n0.417714 0.146705 0.789412 Si\n0.146705 0.417714 0.289412 Si\n0.582287 0.853296 0.210588 Si\n0.026222 0.857029 0.090125 O\n0.142972 0.973779 0.409876 O\n0.699234 0.070035 0.277481 O\n0.929966 0.300767 0.222519 O\n0.300767 0.929966 0.722519 O\n0.070035 0.699234 0.777481 O\n0.785994 0.499391 0.520099 O\n0.500610 0.214007 0.979901 O\n0.214007 0.500610 0.479901 O\n0.309510 0.309631 0.728991 O\n0.612777 0.122149 0.737420 O\n0.877853 0.387224 0.762581 O\n0.387224 0.877853 0.262581 O\n0.122149 0.612777 0.237420 O\n0.690491 0.690370 0.271009 O\n0.309631 0.309510 0.228991 O\n0.857029 0.026222 0.590125 O\n0.690370 0.690491 0.771009 O\n0.499391 0.785994 0.020099 O\n0.973779 0.142972 0.909875 O\n",
"nsites": 36,
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"elements": [
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"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
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{
"id": "jvasp-66682",
"created_at": "2022-09-04T14:35:53.844179Z",
"updated_at": "2022-09-04T14:35:53.844208Z",
"structure_string": "Ba1 Ca1 Cr1\n1.0\n0.000000 3.958063 3.958063\n3.958063 -0.000000 3.958063\n3.958063 3.958063 0.000000\nBa Ca Cr\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cr\n",
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{
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"created_at": "2022-09-04T14:37:08.484334Z",
"updated_at": "2022-09-04T14:37:08.484355Z",
"structure_string": "Mo2 H8 O10\n1.0\n4.029885 -0.057740 -0.011849\n-0.067915 6.430280 0.119756\n0.005342 1.407262 7.536684\nMo H O\n2 8 10\ndirect\n0.041362 0.987346 0.280352 Mo\n0.894536 0.039759 0.773283 Mo\n0.973633 0.437782 0.261502 H\n0.772225 0.387733 0.582866 H\n0.286334 0.408617 0.543496 H\n0.012431 0.651039 0.717779 H\n0.291806 0.429981 0.028588 H\n0.766081 0.368881 0.096263 H\n0.573240 0.576535 0.906017 H\n0.495019 0.589473 0.403595 H\n0.970849 0.333453 0.670332 O\n0.963937 0.038895 0.001225 O\n0.977003 0.014922 0.504455 O\n0.507844 0.431749 -0.033089 O\n0.491965 0.441548 0.467444 O\n0.474573 0.013064 0.259420 O\n0.466860 0.043430 0.755234 O\n0.972506 0.716644 0.294287 O\n0.970603 0.332259 0.183648 O\n0.955814 0.736981 0.804997 O\n",
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{
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"created_at": "2022-09-04T14:37:32.743736Z",
"updated_at": "2022-09-04T14:37:32.743764Z",
"structure_string": "Ca6 Sn2 H4\n1.0\n0.000000 0.000000 5.234470\n4.407836 -5.647303 0.000000\n4.407836 5.647303 -0.000000\nCa Sn H\n6 2 4\ndirect\n0.250000 0.890107 0.109894 Ca\n0.250000 0.408944 0.186484 Ca\n0.750000 0.186484 0.408944 Ca\n0.250000 0.813517 0.591056 Ca\n0.750000 0.591056 0.813517 Ca\n0.750000 0.109894 0.890107 Ca\n0.750000 0.692331 0.307670 Sn\n0.250000 0.307670 0.692331 Sn\n0.000000 0.151932 0.151932 H\n0.500000 0.151932 0.151932 H\n0.000000 0.848069 0.848069 H\n0.500000 0.848069 0.848069 H\n",
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{
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"created_at": "2022-09-04T14:38:03.925655Z",
"updated_at": "2022-09-04T14:38:03.925675Z",
"structure_string": "Li1 V1 F4\n1.0\n3.896256 0.004352 -0.004931\n-0.004231 3.896095 -0.004648\n-1.940119 -1.944963 4.773701\nLi V F\n1 1 4\ndirect\n0.751237 0.248344 0.501965 Li\n0.001252 0.998427 0.002027 V\n0.800141 0.797260 0.599773 F\n0.202420 0.199545 0.404290 F\n0.987680 0.484900 0.975003 F\n0.514770 0.011968 0.029074 F\n",
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{
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"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
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}