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{
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{
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{
"id": "mp-756022",
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"structure_string": "Li1 V6 O7 F5\n1.0\n4.897237 0.000000 0.000000\n0.285468 5.664661 0.000000\n0.236072 0.714010 7.800265\nLi V O F\n1 6 7 5\ndirect\n0.498587 0.895317 0.104248 Li\n0.996569 0.005041 0.978833 V\n0.440767 0.461239 0.995845 V\n0.558880 0.209180 0.340643 V\n0.524574 0.845730 0.670176 V\n0.994787 0.661357 0.339698 V\n0.988612 0.316086 0.671984 V\n0.179318 0.295679 0.889385 O\n0.309023 0.471036 0.239535 O\n0.318565 0.799468 0.903624 O\n0.686524 0.188640 0.091494 O\n0.687766 0.880269 0.427350 O\n0.805938 0.029400 0.755938 O\n0.823549 0.384472 0.443638 O\n0.180464 0.966263 0.224510 F\n0.196300 0.635755 0.576888 F\n0.315148 0.144014 0.565530 F\n0.687309 0.523794 0.772114 F\n0.808627 0.696126 0.096522 F\n",
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{
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{
"id": "mp-756652",
"created_at": "2022-09-04T14:39:07.381075Z",
"structure_string": "Co4 P4 O16\n1.0\n5.737084 0.000000 0.000000\n1.158417 6.325419 0.000000\n1.763449 2.310940 8.790196\nCo P O\n4 4 16\ndirect\n0.328197 0.898685 0.805262 Co\n0.789931 0.174133 0.562041 Co\n0.210069 0.825867 0.437959 Co\n0.671803 0.101315 0.194738 Co\n0.816416 0.875816 0.894411 P\n0.668350 0.722931 0.513358 P\n0.331650 0.277069 0.486642 P\n0.183584 0.124184 0.105589 P\n0.629453 0.755828 0.862190 O\n0.070705 0.738230 0.879969 O\n0.249621 0.074548 0.951487 O\n0.842961 0.090812 0.762023 O\n0.858443 0.851230 0.539901 O\n0.417245 0.768063 0.610567 O\n0.761270 0.483759 0.543647 O\n0.393509 0.177013 0.651767 O\n0.606491 0.822987 0.348233 O\n0.238730 0.516241 0.456353 O\n0.582755 0.231937 0.389433 O\n0.141557 0.148770 0.460099 O\n0.157039 0.909188 0.237977 O\n0.750379 0.925452 0.048513 O\n0.929295 0.261770 0.120031 O\n0.370547 0.244172 0.137810 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Mg4 Co4 P8 O28\n1.0\n8.407662 0.000000 0.000000\n0.000000 7.040678 0.000000\n0.000000 3.606978 8.431060\nMg Co P O\n4 4 8 28\ndirect\n0.940067 0.695018 0.181262 Mg\n0.440067 0.304982 0.318738 Mg\n0.559933 0.695018 0.681262 Mg\n0.059933 0.304982 0.818738 Mg\n0.072638 0.232334 0.392037 Co\n0.927362 0.767666 0.607963 Co\n0.572638 0.767666 0.107963 Co\n0.427362 0.232334 0.892037 Co\n0.733677 0.059911 0.759025 P\n0.226601 0.531899 0.031699 P\n0.766323 0.059911 0.259025 P\n0.273399 0.531899 0.531699 P\n0.233677 0.940089 0.740975 P\n0.726601 0.468101 0.468301 P\n0.773399 0.468101 0.968301 P\n0.266323 0.940089 0.240975 P\n0.175105 0.749563 0.898930 O\n0.609787 0.113525 0.313355 O\n0.890213 0.113525 0.813355 O\n0.389189 0.549837 0.103352 O\n0.824895 0.250437 0.101070 O\n0.096803 0.974563 0.621128 O\n0.610811 0.450163 0.896648 O\n0.091559 0.488047 0.153052 O\n0.266750 0.377338 0.450985 O\n0.903197 0.025437 0.378872 O\n0.403197 0.974563 0.121128 O\n0.759010 0.879767 0.203656 O\n0.259010 0.120233 0.296344 O\n0.324895 0.749563 0.398930 O\n0.596803 0.025437 0.878872 O\n0.109787 0.886475 0.186645 O\n0.240990 0.120233 0.796344 O\n0.908441 0.511953 0.846948 O\n0.233250 0.377338 0.950985 O\n0.766750 0.622662 0.049015 O\n0.889189 0.450163 0.396648 O\n0.408441 0.488047 0.653052 O\n0.591559 0.511953 0.346948 O\n0.390213 0.886475 0.686645 O\n0.740990 0.879767 0.703656 O\n0.110811 0.549837 0.603352 O\n0.733250 0.622662 0.549015 O\n0.675105 0.250437 0.601070 O\n",
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"formula_full": "Mg4 Co4 P8 O28",
"formula_reduced": "MgCoP2O7",
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},
{
"id": "mp-1199860",
"created_at": "2022-09-04T14:46:10.397681Z",
"structure_string": "V4 Co4 Se4 O22\n1.0\n9.019183 0.000000 0.000000\n0.000000 4.891010 0.000000\n0.000000 2.076194 10.527136\nV Co Se O\n4 4 4 22\ndirect\n0.061367 0.467121 0.849910 V\n0.561367 0.532879 0.150090 V\n0.938633 0.532879 0.150090 V\n0.438633 0.467121 0.849910 V\n0.928136 0.042298 0.632651 Co\n0.428136 0.957702 0.367349 Co\n0.071864 0.957702 0.367349 Co\n0.571864 0.042298 0.632651 Co\n0.750000 0.613767 0.453194 Se\n0.250000 0.386233 0.546806 Se\n0.750000 0.858424 0.898733 Se\n0.250000 0.141576 0.101267 Se\n0.750000 0.307556 0.568394 O\n0.250000 0.692444 0.431606 O\n0.959656 0.238204 0.787423 O\n0.459656 0.761796 0.212577 O\n0.040344 0.761796 0.212577 O\n0.540344 0.238204 0.787423 O\n0.900321 0.623402 0.953034 O\n0.400321 0.376598 0.046966 O\n0.099679 0.376598 0.046966 O\n0.599679 0.623402 0.953034 O\n0.597779 0.792221 0.498208 O\n0.097779 0.207779 0.501792 O\n0.402221 0.207779 0.501792 O\n0.902221 0.792221 0.498208 O\n0.750000 0.829367 0.744325 O\n0.250000 0.170633 0.255675 O\n0.075627 0.758298 0.739756 O\n0.575627 0.241702 0.260244 O\n0.924373 0.241702 0.260244 O\n0.424373 0.758298 0.739756 O\n0.250000 0.321880 0.850362 O\n0.750000 0.678120 0.149638 O\n",
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"elements": [
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],
"chemical_system": "Co-O-Se-V",
"density": 3.959573843881337,
"density_atomic": 0.07321548334086829,
"volume": 464.38264761166266,
"volume_molar": 8.22522844240856,
"formula_full": "V4 Co4 Se4 O22",
"formula_reduced": "V2Co2Se2O11",
"formula_anonymous": "A2B2C2D11",
"energy": -246.20912529,
"energy_per_atom": -7.241444861470589,
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"updated_at": "2021-11-28T01:37:12.532000Z",
"spacegroup": 11
},
{
"id": "mp-761337",
"created_at": "2022-09-04T14:45:31.420715Z",
"structure_string": "Sr6 Cr6 O18\n1.0\n5.531538 0.000000 0.000000\n2.760159 -4.817954 0.000000\n0.002922 -0.000065 -13.685607\nSr Cr O\n6 6 18\ndirect\n0.332686 0.333849 0.907388 Sr\n0.003119 0.000213 0.750060 Sr\n0.004332 0.000481 0.250042 Sr\n0.332640 0.333684 0.593385 Sr\n0.666389 0.666223 0.406886 Sr\n0.666517 0.666566 0.093365 Sr\n0.339116 0.337189 0.155464 Cr\n0.005636 0.999303 0.000005 Cr\n0.005070 0.999144 0.499876 Cr\n0.338695 0.337177 0.344747 Cr\n0.676473 0.663054 0.844558 Cr\n0.676193 0.662916 0.655334 Cr\n0.158947 0.160277 0.419283 O\n0.160042 0.160647 0.080327 O\n0.030137 0.482713 0.249831 O\n0.163850 0.661315 0.417958 O\n0.165041 0.661489 0.081903 O\n0.485317 0.028636 0.249909 O\n0.494144 0.490810 0.250043 O\n0.667212 0.161208 0.418964 O\n0.668097 0.161202 0.081077 O\n0.321151 0.839091 0.920393 O\n0.320183 0.838807 0.579641 O\n0.512068 0.517543 0.750068 O\n0.513027 0.971898 0.749981 O\n0.827321 0.338355 0.917897 O\n0.826014 0.338700 0.582046 O\n0.983832 0.509908 0.749818 O\n0.827822 0.838636 0.581010 O\n0.829156 0.838539 0.918736 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cr-O-Sr",
"density": 5.124997657756186,
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"volume": 364.730946713303,
"volume_molar": 7.321537002118567,
"formula_full": "Sr6 Cr6 O18",
"formula_reduced": "SrCrO3",
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}
]
}