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{
"id": "mp-755073",
"created_at": "2022-09-04T14:47:33.919901Z",
"structure_string": "Cr4 O4\n1.0\n-2.022547 3.503154 1.291474\n0.844402 -1.462547 5.172109\n3.762004 2.171994 0.000001\nCr O\n4 4\ndirect\n0.400031 0.900000 0.500005 Cr\n0.400034 0.399999 0.999992 Cr\n0.900034 0.900000 0.000008 Cr\n0.900031 0.399997 0.499994 Cr\n0.650017 0.150001 0.247843 O\n0.150020 0.150001 0.747842 O\n0.650017 0.650001 0.252158 O\n0.150020 0.650001 0.752159 O\n",
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{
"id": "mp-1244979",
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"nsites": 100,
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"elements": [
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"density": 3.4216714506873545,
"density_atomic": 0.04227955581515802,
"volume": 2365.20933278462,
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"formula_full": "Zn50 S50",
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"energy": -327.92931588,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.833000Z",
"spacegroup": 1
},
{
"id": "mp-1181724",
"created_at": "2022-09-04T14:48:06.230173Z",
"structure_string": "Cl4 O20\n1.0\n5.485079 0.000000 0.000000\n0.000000 7.167725 0.000000\n0.000000 0.000000 8.763239\nCl O\n4 20\ndirect\n0.250000 0.306043 0.921881 Cl\n0.250000 0.193957 0.421881 Cl\n0.750000 0.693957 0.078119 Cl\n0.750000 0.806043 0.578119 Cl\n0.250000 0.436196 0.794796 O\n0.250000 0.063804 0.294796 O\n0.750000 0.563804 0.205204 O\n0.750000 0.936196 0.705204 O\n0.250000 0.400515 0.066276 O\n0.250000 0.099485 0.566276 O\n0.750000 0.599485 0.933724 O\n0.750000 0.900515 0.433724 O\n0.031975 0.184385 0.908633 O\n0.468025 0.315615 0.408633 O\n0.531975 0.815615 0.091367 O\n0.968025 0.684385 0.591367 O\n0.968025 0.815615 0.091367 O\n0.531975 0.684385 0.591367 O\n0.468025 0.184385 0.908633 O\n0.031975 0.315615 0.408633 O\n0.750000 0.177655 0.173849 O\n0.750000 0.322345 0.673849 O\n0.250000 0.822345 0.826151 O\n0.250000 0.677655 0.326151 O\n",
"nsites": 24,
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"elements": [
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"density": 2.225738550834381,
"density_atomic": 0.06965982253468217,
"volume": 344.531454814587,
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"formula_full": "Cl4 O20",
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},
{
"id": "mp-11255",
"created_at": "2022-09-04T14:39:07.548558Z",
"structure_string": "Pr1 Au1\n1.0\n3.749867 0.000000 0.000000\n0.000000 3.749867 0.000000\n0.000000 0.000000 3.749867\nPr Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Au\n",
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"density": 10.640365806109546,
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},
{
"id": "mp-1187983",
"created_at": "2022-09-04T14:47:34.908933Z",
"structure_string": "Zn1 Re1\n1.0\n1.374109 -2.380027 0.000000\n1.374109 2.380027 0.000000\n0.000000 0.000000 4.494066\nZn Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Re\n",
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"density": 14.21395190382892,
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{
"id": "mp-1182229",
"created_at": "2022-09-04T14:47:45.331979Z",
"structure_string": "Fe24 O32\n1.0\n6.092214 -0.010662 0.009191\n-0.010960 6.091465 -0.005337\n0.021609 -0.011998 16.978581\nFe O\n24 32\ndirect\n0.500232 0.752633 0.503383 Fe\n0.504847 0.752614 0.004568 Fe\n0.997412 0.748943 0.757218 Fe\n0.498184 0.000314 0.693652 Fe\n0.748327 0.999105 0.877089 Fe\n0.251786 0.493509 0.131715 Fe\n0.995535 0.757099 0.252745 Fe\n0.755582 0.004740 0.376658 Fe\n0.247064 0.999732 0.881205 Fe\n0.244206 0.004302 0.375838 Fe\n0.998145 0.001056 0.569233 Fe\n0.493695 0.500113 0.817387 Fe\n0.501553 0.996693 0.190833 Fe\n0.244825 0.502451 0.630345 Fe\n0.501183 0.503086 0.314052 Fe\n0.000152 0.500653 0.444164 Fe\n0.498221 0.249485 0.504003 Fe\n0.506067 0.245825 0.004929 Fe\n0.006449 0.498365 0.944815 Fe\n0.751561 0.497426 0.129422 Fe\n0.998925 0.253125 0.253951 Fe\n0.998455 0.251010 0.756812 Fe\n0.752447 0.501146 0.631354 Fe\n0.995018 0.997457 0.070997 Fe\n0.490887 0.241859 0.884778 O\n0.272402 0.496573 0.009966 O\n0.274542 0.000477 0.496381 O\n0.497148 0.264223 0.625041 O\n0.499912 0.766249 0.380021 O\n0.245832 0.502546 0.748783 O\n0.990975 0.285753 0.131857 O\n0.722362 0.000241 0.001155 O\n0.770707 0.995343 0.258197 O\n0.752172 0.997411 0.756189 O\n0.016147 0.757326 0.883098 O\n0.279397 0.502089 0.509235 O\n0.498781 0.736774 0.624824 O\n0.278240 0.997367 0.001344 O\n0.240486 0.504015 0.251011 O\n0.510206 0.717180 0.123889 O\n0.492062 0.753627 0.885889 O\n0.999493 0.225371 0.375422 O\n0.719442 0.499602 0.509639 O\n0.248812 0.999329 0.761802 O\n0.000325 0.775047 0.373264 O\n0.505357 0.275985 0.124323 O\n0.747052 0.499927 0.750325 O\n0.723294 0.001498 0.496835 O\n0.500026 0.237670 0.379525 O\n0.737346 0.496971 0.010081 O\n0.997416 0.716959 0.134741 O\n0.760056 0.505295 0.248066 O\n0.998966 0.280267 0.630261 O\n0.227717 0.994901 0.256648 O\n0.998265 0.722861 0.629229 O\n0.014302 0.238382 0.881809 O\n",
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"volume": 630.0801905082035,
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"formula_full": "Fe24 O32",
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{
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"structure_string": "Mg4 Si6\n1.0\n5.272923 0.000000 0.000000\n0.450743 5.968360 0.000000\n0.709425 0.034692 6.168473\nMg Si\n4 6\ndirect\n0.996426 0.740395 0.071121 Mg\n0.757199 0.886255 0.527485 Mg\n0.242801 0.113745 0.472515 Mg\n0.003574 0.259605 0.928879 Mg\n0.809885 0.390882 0.540591 Si\n0.190115 0.609118 0.459409 Si\n0.394136 0.946733 0.853808 Si\n0.576476 0.448978 0.222604 Si\n0.423524 0.551022 0.777396 Si\n0.605864 0.053267 0.146192 Si\n",
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"formula_full": "Mg4 Si6",
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{
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"structure_string": "Mn1 Pd1\n1.0\n3.012369 0.000000 0.000000\n0.000000 3.012369 0.000000\n0.000000 0.000000 3.370196\nMn Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pd\n",
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{
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{
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{
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}