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{
"id": "jvasp-119717",
"created_at": "2022-09-04T14:38:36.909277Z",
"updated_at": "2022-09-04T14:38:36.909301Z",
"structure_string": "Cr2 P6 O18\n1.0\n6.512582 -0.007161 -0.090337\n3.240673 5.649199 -0.090151\n-0.105243 -0.060489 9.501151\nCr P O\n2 6 18\ndirect\n0.659532 0.672201 0.499905 Cr\n0.672185 0.659517 0.999907 Cr\n0.774292 0.936237 0.762109 P\n0.936234 0.774295 0.262133 P\n0.287238 0.772582 0.738646 P\n0.772570 0.287239 0.238676 P\n0.938107 0.287151 0.749104 P\n0.287149 0.938099 0.249041 P\n0.753549 0.053297 0.248474 O\n0.053298 0.753555 0.748454 O\n0.929242 0.419324 0.882521 O\n0.419441 0.929180 0.382423 O\n0.910174 0.647056 0.135588 O\n0.647025 0.910252 0.635549 O\n0.053026 0.190171 0.246086 O\n0.190179 0.053026 0.746110 O\n0.903058 0.410200 0.612250 O\n0.755158 0.189177 0.755822 O\n0.410085 0.903094 0.112152 O\n0.690391 0.916206 0.904053 O\n0.661534 0.436260 0.366757 O\n0.436340 0.661446 0.866696 O\n0.394483 0.671829 0.597876 O\n0.671716 0.394555 0.097925 O\n0.189178 0.755154 0.255811 O\n0.916275 0.690359 0.404087 O\n",
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{
"id": "jvasp-42637",
"created_at": "2022-09-04T14:35:44.733135Z",
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"structure_string": "Cr2 P4 O12\n1.0\n4.858941 4.434352 0.277583\n-4.858941 4.434352 -0.277583\n-1.310297 0.000000 4.891696\nCr P O\n2 4 12\ndirect\n0.891357 0.891357 0.750001 Cr\n0.108642 0.108642 0.250000 Cr\n0.378299 0.796135 0.772565 P\n0.203865 0.621700 0.272564 P\n0.796134 0.378300 0.727436 P\n0.621700 0.203865 0.227436 P\n0.408059 0.104430 0.215122 O\n0.647072 0.362747 0.447034 O\n0.895569 0.591940 0.715123 O\n0.637252 0.352927 0.947035 O\n0.362747 0.647072 0.052966 O\n0.591940 0.895570 0.784878 O\n0.352927 0.637252 0.552967 O\n0.933552 0.201678 0.790899 O\n0.066447 0.798322 0.209102 O\n0.201678 0.933553 0.709102 O\n0.104430 0.408059 0.284878 O\n0.798322 0.066447 0.290899 O\n",
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"density": 3.2577492068799443,
"density_atomic": 0.08410383844792857,
"volume": 214.02114733615144,
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"formula_full": "Cr2 P4 O12",
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"spacegroup": 15
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{
"id": "jvasp-78830",
"created_at": "2022-09-04T14:37:11.218777Z",
"updated_at": "2022-09-04T14:37:11.218803Z",
"structure_string": "Cr1 Pd1 O2\n1.0\n-1.477146 -2.558491 -0.000000\n1.477146 -2.558491 -0.000000\n-0.000000 -1.705661 6.050432\nCr Pd O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Pd\n0.111620 0.111620 0.665139 O\n0.888379 0.888379 0.334861 O\n",
"nsites": 4,
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"elements": [
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"density": 6.91395152197595,
"density_atomic": 0.0874654016834695,
"volume": 45.732368719641734,
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"formula_full": "Cr1 Pd1 O2",
"formula_reduced": "CrPdO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-39735",
"created_at": "2022-09-04T14:37:51.043327Z",
"updated_at": "2022-09-04T14:37:51.043353Z",
"structure_string": "Cr1 Pd3\n1.0\n3.899952 0.000000 -0.000000\n0.000000 3.899952 -0.000000\n0.000000 0.000000 3.899952\nCr Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cr-Pd",
"density": 10.393095312740785,
"density_atomic": 0.06743450995369561,
"volume": 59.31680978695668,
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"formula_full": "Cr1 Pd3",
"formula_reduced": "CrPd3",
"formula_anonymous": "AB3",
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},
{
"id": "jvasp-92524",
"created_at": "2022-09-04T14:36:12.067582Z",
"updated_at": "2022-09-04T14:36:12.067614Z",
"structure_string": "Cr1 Pb1 O3\n1.0\n3.870612 0.000000 -0.000000\n0.000000 3.870612 0.000000\n-0.000000 0.000000 3.870612\nCr Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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},
{
"id": "jvasp-8618",
"created_at": "2022-09-04T14:36:33.705647Z",
"updated_at": "2022-09-04T14:36:33.705676Z",
"structure_string": "Cr1 Pb1 O3\n1.0\n3.870617 0.000000 -0.000000\n0.000000 3.870617 0.000000\n0.000000 0.000000 3.870617\nCr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Cr1 Pb1 O3",
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{
"id": "jvasp-111123",
"created_at": "2022-09-04T14:38:37.270947Z",
"updated_at": "2022-09-04T14:38:37.270967Z",
"structure_string": "Cr2 Pb2 N4\n1.0\n3.578412 0.000000 0.000000\n0.000000 3.578412 0.000000\n-0.000000 -0.000000 9.494920\nCr Pb N\n2 2 4\ndirect\n0.749999 0.749999 0.579209 Cr\n0.250000 0.250000 0.420791 Cr\n0.749999 0.749999 0.149214 Pb\n0.250000 0.250000 0.850786 Pb\n0.749999 0.250000 0.500000 N\n0.250000 0.749999 0.500000 N\n0.749999 0.749999 0.758796 N\n0.250000 0.250000 0.241204 N\n",
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"density": 7.845233985734797,
"density_atomic": 0.06579880313646684,
"volume": 121.58275863176395,
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"formula_full": "Cr2 Pb2 N4",
"formula_reduced": "CrPbN2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-98214",
"created_at": "2022-09-04T14:35:56.643540Z",
"updated_at": "2022-09-04T14:35:56.643561Z",
"structure_string": "Cr2 Pb4 O10\n1.0\n5.305819 0.000088 -2.150880\n-1.131386 6.506677 -2.790826\n-0.022415 0.032736 7.563539\nCr Pb O\n2 4 10\ndirect\n0.170238 0.660699 0.340490 Cr\n0.829761 0.339301 0.659510 Cr\n0.482815 0.733510 0.965600 Pb\n0.517186 0.266491 0.034400 Pb\n0.144329 0.114136 0.288757 Pb\n0.855671 0.885865 0.711243 Pb\n0.747771 0.000002 -0.000024 O\n0.252229 -0.000002 0.000024 O\n0.616424 0.224730 0.701822 O\n0.914637 0.775327 0.298107 O\n0.383577 0.775272 0.298177 O\n0.085363 0.224674 0.701893 O\n0.907991 0.589806 0.815970 O\n0.092011 0.410195 0.184031 O\n0.295155 0.694445 0.590514 O\n0.704846 0.305558 0.409487 O\n",
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"elements": [
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"density": 6.942718146590853,
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"volume": 261.3694144320704,
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"formula_full": "Cr2 Pb4 O10",
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{
"id": "jvasp-21473",
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"structure_string": "Cr2 P8\n1.0\n4.709690 -0.010942 2.272294\n1.835994 5.400386 0.885816\n0.009140 -0.005471 5.997993\nCr P\n2 8\ndirect\n0.061118 0.250000 0.877764 Cr\n0.938880 0.750001 0.122236 Cr\n0.492707 0.309404 0.561225 P\n0.946067 0.190598 0.561225 P\n0.183841 0.323914 0.176117 P\n0.640042 0.176087 0.176117 P\n0.816157 0.676087 0.823882 P\n0.359956 0.823915 0.823883 P\n0.053932 0.809404 0.438775 P\n0.507292 0.690598 0.438774 P\n",
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"volume": 152.56206572728075,
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"formula_full": "Cr2 P8",
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{
"id": "jvasp-108142",
"created_at": "2022-09-04T14:36:01.412977Z",
"updated_at": "2022-09-04T14:36:01.412998Z",
"structure_string": "Cr2 P4 W2\n1.0\n3.200730 0.000000 0.000000\n0.000000 5.573309 0.000000\n0.000000 0.000000 6.117831\nCr P W\n2 4 2\ndirect\n0.500000 0.487767 0.063739 Cr\n0.500000 0.987767 0.936261 Cr\n0.500000 0.315488 0.700909 P\n0.500000 0.815488 0.299091 P\n-0.000000 0.690226 0.834727 P\n-0.000000 0.190226 0.165273 P\n-0.000000 0.506520 0.443188 W\n-0.000000 0.006520 0.556812 W\n",
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"formula_full": "Cr2 P4 W2",
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"formula_anonymous": "ABC2",
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"spacegroup": 26
},
{
"id": "jvasp-12172",
"created_at": "2022-09-04T14:36:01.276277Z",
"updated_at": "2022-09-04T14:36:01.276313Z",
"structure_string": "Cr1 P2 S7\n1.0\n4.283543 4.665783 0.033660\n-4.283543 4.665783 -0.033660\n-0.831536 0.000000 6.099696\nCr P S\n1 2 7\ndirect\n0.491862 0.491862 0.000000 Cr\n0.044043 0.655267 0.079681 P\n0.655267 0.044043 0.920320 P\n0.140580 0.506147 0.818895 S\n0.531169 0.807102 0.764251 S\n0.317826 0.633412 0.284859 S\n0.992087 0.992087 0.000000 S\n0.633411 0.317826 0.715142 S\n0.807102 0.531169 0.235749 S\n0.506147 0.140581 0.181105 S\n",
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"volume": 244.07923607691998,
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"formula_full": "Cr1 P2 S7",
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{
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"created_at": "2022-09-04T14:38:18.295041Z",
"updated_at": "2022-09-04T14:38:18.295052Z",
"structure_string": "Cr1 P2 O7\n1.0\n4.993990 -0.027269 -0.721812\n0.982321 4.896501 0.721812\n-0.003778 0.004637 4.484361\nCr P O\n1 2 7\ndirect\n0.111021 0.111020 0.000000 Cr\n0.263284 0.667030 0.590822 P\n0.667030 0.263285 0.409178 P\n0.551600 0.551601 0.499999 O\n0.149198 0.428158 0.731935 O\n0.073950 0.811584 0.291285 O\n0.332211 0.858472 0.814425 O\n0.811582 0.073950 0.708716 O\n0.858473 0.332210 0.185573 O\n0.428158 0.149199 0.268065 O\n",
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"formula_full": "Cr1 P2 O7",
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}