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{
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"structure_string": "Li4 Ni6 Sn2 O16\n1.0\n5.810193 0.042623 -0.011131\n-0.044806 5.952090 0.210269\n0.015788 -0.004513 8.315877\nLi Ni Sn O\n4 6 2 16\ndirect\n0.000026 0.238422 0.119194 Li\n0.500020 0.738425 0.619192 Li\n-0.000020 0.761577 0.880808 Li\n0.499973 0.261576 0.380807 Li\n0.250000 0.750000 0.250002 Ni\n-0.000003 0.499999 0.500000 Ni\n0.749997 0.250000 0.750001 Ni\n0.750000 0.749999 0.250001 Ni\n0.500002 0.000002 -0.000000 Ni\n0.250001 0.250002 0.750001 Ni\n-0.000000 -0.000005 0.500001 Sn\n0.500000 0.500002 -0.000001 Sn\n0.000015 0.966410 0.251791 O\n0.731339 0.764906 0.016730 O\n0.231334 0.264902 0.516731 O\n0.499985 0.533591 0.248209 O\n-0.000012 0.033592 0.748211 O\n0.500010 0.466408 0.751790 O\n0.268666 0.235097 0.983270 O\n0.500073 0.029455 0.764758 O\n0.731347 0.235202 0.983304 O\n0.231343 0.735199 0.483306 O\n0.499937 0.970551 0.235243 O\n-0.000076 0.470545 0.735245 O\n0.768650 0.264795 0.516697 O\n0.000064 0.529451 0.264756 O\n0.768660 0.735094 0.483269 O\n0.268658 0.764805 0.016693 O\n",
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{
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"created_at": "2022-09-04T14:38:46.994381Z",
"updated_at": "2022-09-04T14:38:46.994408Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.062906 -0.016409 2.910565\n-1.688528 9.578580 2.885704\n-0.019262 0.001965 5.840013\nLi Ti Cr O\n4 2 6 16\ndirect\n0.186847 0.062283 0.124564 Li\n0.686834 0.562282 0.124582 Li\n0.313159 0.437718 0.875435 Li\n0.813162 0.937718 0.875413 Li\n0.750006 0.249999 0.500000 Ti\n0.249996 0.750001 0.499996 Ti\n0.999996 0.499999 0.500005 Cr\n0.500006 0.000001 0.499991 Cr\n0.750004 0.250001 0.000000 Cr\n0.250005 0.250001 0.500000 Cr\n0.249997 0.749999 -0.000002 Cr\n0.749996 0.749999 0.499997 Cr\n0.392102 0.130696 0.714761 O\n0.154528 0.869292 0.738589 O\n0.654523 0.369288 0.738599 O\n0.607903 0.869305 0.285225 O\n0.107905 0.369304 0.285239 O\n0.892092 0.630695 0.714769 O\n0.345467 0.630709 0.261405 O\n0.894681 0.631565 0.263154 O\n0.118798 0.857378 0.261384 O\n0.618806 0.357378 0.261387 O\n0.605315 0.868433 0.736843 O\n0.105319 0.368434 0.736851 O\n0.881205 0.142622 0.738613 O\n0.394688 0.131569 0.263146 O\n0.845483 0.130711 0.261402 O\n0.381194 0.642622 0.738611 O\n",
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{
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"structure_string": "K6 Lu2 P4 O16\n1.0\n5.598935 -0.000000 0.000000\n0.000000 7.340245 0.142924\n-0.000000 -0.047115 9.270666\nK Lu P O\n6 2 4 16\ndirect\n0.250000 0.204280 0.921064 K\n0.749999 0.795722 0.078936 K\n0.250000 0.634123 0.585099 K\n0.749999 0.365878 0.414901 K\n0.250000 0.497699 0.192454 K\n0.749999 0.502303 0.807546 K\n0.250000 0.990906 0.286179 Lu\n0.749999 0.009095 0.713821 Lu\n0.250000 0.773849 0.906680 P\n0.749999 0.226153 0.093320 P\n0.749999 0.816381 0.427208 P\n0.250000 0.183621 0.572792 P\n0.250000 0.834396 0.066997 O\n0.749999 0.165605 0.933003 O\n0.523755 0.147904 0.170412 O\n0.023756 0.852097 0.829588 O\n0.476244 0.852097 0.829588 O\n0.976243 0.147904 0.170412 O\n0.476053 0.231180 0.663471 O\n0.749999 0.019210 0.468386 O\n0.523946 0.768821 0.336529 O\n0.023946 0.231180 0.663471 O\n0.749999 0.708593 0.572894 O\n0.250000 0.291408 0.427106 O\n0.749999 0.434707 0.104318 O\n0.250000 0.980791 0.531614 O\n0.976053 0.768821 0.336529 O\n0.250000 0.565295 0.895682 O\n",
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{
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"created_at": "2022-09-04T14:38:45.350555Z",
"updated_at": "2022-09-04T14:38:45.350581Z",
"structure_string": "Na12 Co4 O12\n1.0\n7.750498 -0.000000 -2.740215\n-3.875249 6.712128 -2.740215\n-0.000000 -0.000000 8.220644\nNa Co O\n12 4 12\ndirect\n0.508477 0.000000 0.273594 Na\n0.508477 0.273593 0.000001 Na\n0.765117 0.491523 0.491524 Na\n0.726407 0.234884 0.726407 Na\n0.273593 0.508477 0.000001 Na\n0.726407 0.726407 0.234884 Na\n0.273593 0.000000 0.508477 Na\n0.491523 0.491523 0.765117 Na\n0.491523 0.765117 0.491524 Na\n0.000000 0.273593 0.508477 Na\n0.000000 0.508477 0.273594 Na\n0.234884 0.726407 0.726407 Na\n0.000000 0.000000 0.633984 Co\n0.000000 0.633984 0.000000 Co\n0.366016 0.366016 0.366016 Co\n0.633984 0.000000 0.000000 Co\n0.749488 0.227391 0.227391 O\n0.772609 0.000000 0.522097 O\n0.772609 0.522096 0.000001 O\n0.477904 0.250513 0.477905 O\n0.477904 0.477904 0.250513 O\n0.522096 0.772609 0.000001 O\n0.522096 0.000000 0.772609 O\n0.250513 0.477904 0.477905 O\n0.227391 0.749488 0.227391 O\n0.227391 0.227391 0.749487 O\n0.000000 0.772609 0.522096 O\n0.000000 0.522096 0.772609 O\n",
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{
"id": "jvasp-117087",
"created_at": "2022-09-04T14:38:48.506680Z",
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"structure_string": "Li4 Fe6 Co2 O16\n1.0\n5.571043 0.000000 0.000000\n-2.785522 4.824664 0.000000\n-0.000000 -0.000000 9.204304\nLi Fe Co O\n4 6 2 16\ndirect\n0.333333 0.666666 0.893238 Li\n0.000000 0.000000 0.996024 Li\n0.000000 0.000000 0.496024 Li\n0.666666 0.333333 0.393238 Li\n0.825930 0.651859 0.712189 Fe\n0.348140 0.174070 0.712189 Fe\n0.825930 0.174070 0.712189 Fe\n0.174070 0.348140 0.212189 Fe\n0.174070 0.825929 0.212189 Fe\n0.651860 0.825929 0.212189 Fe\n0.333333 0.666666 0.487432 Co\n0.666666 0.333333 0.987432 Co\n0.332229 0.166115 0.102764 O\n0.833885 0.667770 0.102764 O\n0.666666 0.333333 0.597236 O\n0.519721 0.039444 0.842747 O\n0.519721 0.480278 0.842747 O\n0.667770 0.833885 0.602763 O\n0.480278 0.519721 0.342747 O\n0.039444 0.519721 0.342747 O\n0.166115 0.332229 0.602763 O\n0.000000 0.000000 0.806607 O\n0.000000 0.000000 0.306607 O\n0.333333 0.666666 0.097236 O\n0.960556 0.480278 0.842747 O\n0.166115 0.833885 0.602763 O\n0.480278 0.960555 0.342747 O\n0.833885 0.166115 0.102764 O\n",
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{
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"structure_string": "Sm4 W4 O20\n1.0\n12.675884 -0.000000 0.000000\n-0.000000 4.780035 2.394047\n-0.000000 -0.011018 7.112524\nSm W O\n4 4 20\ndirect\n0.552491 0.642230 0.207051 Sm\n0.447508 0.357769 0.792949 Sm\n0.052491 0.357769 0.292949 Sm\n0.947508 0.642229 0.707051 Sm\n0.860825 0.865612 0.139166 W\n0.139175 0.134386 0.860834 W\n0.360825 0.134387 0.360834 W\n0.639175 0.865612 0.639166 W\n0.590687 0.620924 0.542105 O\n0.721278 0.844483 0.167417 O\n0.278722 0.155515 0.832583 O\n0.885855 0.188487 0.906480 O\n0.778722 0.844483 0.667417 O\n0.114144 0.811512 0.093520 O\n0.409313 0.379075 0.457895 O\n0.221278 0.155516 0.332584 O\n0.090687 0.379075 0.957895 O\n0.564454 -0.009552 0.821947 O\n0.064455 0.009551 0.678053 O\n0.935545 -0.009551 0.321947 O\n0.614144 0.188487 0.406481 O\n0.435545 0.009551 0.178053 O\n0.597759 0.544855 0.919727 O\n0.402240 0.455144 0.080273 O\n0.097759 0.455143 0.580273 O\n0.902240 0.544855 0.419727 O\n0.909313 0.620924 0.042105 O\n0.385856 0.811512 0.593520 O\n",
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"structure_string": "Li4 Nb4 Fe4 O16\n1.0\n5.892526 -0.000000 0.000000\n0.000000 5.892526 0.000000\n-0.000000 -0.000000 8.480247\nLi Nb Fe O\n4 4 4 16\ndirect\n0.000000 0.241501 0.000000 Li\n0.000000 0.758499 0.500000 Li\n0.241501 0.000000 0.250000 Li\n0.758499 0.000000 0.750000 Li\n0.255822 0.255822 0.625000 Nb\n0.255822 0.744178 0.875000 Nb\n0.744178 0.255822 0.375000 Nb\n0.744178 0.744178 0.125000 Nb\n0.750759 0.500000 0.750000 Fe\n0.500000 0.750759 0.500000 Fe\n0.500000 0.249242 0.000000 Fe\n0.249242 0.500000 0.250000 Fe\n0.734354 0.984472 0.494908 O\n0.734354 0.015528 0.005092 O\n0.734685 0.490543 0.981100 O\n0.734685 0.509458 0.518900 O\n0.509458 0.734685 0.731100 O\n0.509458 0.265316 0.768900 O\n0.490543 0.734685 0.268900 O\n0.015528 0.734354 0.244908 O\n0.265316 0.509458 0.481100 O\n0.265316 0.490543 0.018900 O\n0.265647 0.984472 0.505092 O\n0.265647 0.015528 -0.005092 O\n0.984472 0.265647 0.744908 O\n0.015528 0.265647 0.255092 O\n0.490543 0.265316 0.231100 O\n0.984472 0.734354 0.755092 O\n",
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{
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"created_at": "2022-09-04T14:38:46.922035Z",
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"structure_string": "Li4 Ti2 Fe6 O16\n1.0\n5.724759 0.029874 -0.021936\n2.831819 4.714080 -1.662303\n0.039490 -0.002534 9.915199\nLi Ti Fe O\n4 2 6 16\ndirect\n0.314744 0.370402 0.561739 Li\n0.814860 0.370430 0.061746 Li\n0.185172 0.629599 0.938258 Li\n0.685231 0.629567 0.438256 Li\n0.749903 0.500037 0.749989 Ti\n0.250123 0.499962 0.250002 Ti\n0.500012 0.000001 0.000002 Fe\n0.250049 0.999991 0.249998 Fe\n0.749944 0.000019 0.750005 Fe\n0.750086 0.999962 0.250002 Fe\n0.249911 0.000034 0.750002 Fe\n-0.000020 -0.000006 0.499998 Fe\n0.113458 0.231962 0.628815 O\n0.345520 0.768014 0.371170 O\n0.845478 0.767996 0.871146 O\n0.886526 0.768009 0.371174 O\n0.386410 0.768115 0.871200 O\n0.613618 0.231895 0.128807 O\n0.154541 0.232003 0.128855 O\n0.604372 0.791431 0.131911 O\n0.384071 0.231920 0.358324 O\n0.883914 0.231998 0.858330 O\n0.895741 0.208561 0.368092 O\n0.395625 0.208573 0.868097 O\n0.615923 0.768083 0.641677 O\n0.104251 0.791438 0.631904 O\n0.654455 0.231996 0.628834 O\n0.116086 0.768008 0.141670 O\n",
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},
{
"id": "jvasp-119098",
"created_at": "2022-09-04T14:38:48.549407Z",
"updated_at": "2022-09-04T14:38:48.549415Z",
"structure_string": "Ho4 Mo4 O20\n1.0\n12.392676 0.000000 0.000000\n-0.000000 4.730139 2.363358\n-0.000000 0.102854 6.838032\nHo Mo O\n4 4 20\ndirect\n0.058865 0.656839 0.716721 Ho\n0.941135 0.343160 0.283280 Ho\n0.558865 0.343160 0.783280 Ho\n0.441135 0.656840 0.216721 Ho\n0.363482 0.913379 0.647703 Mo\n0.636518 0.086620 0.352297 Mo\n0.863482 0.086620 0.852297 Mo\n0.136518 0.913379 0.147703 Mo\n0.057481 0.706591 0.040923 O\n0.235120 0.769845 0.737044 O\n0.764881 0.230154 0.262956 O\n0.339638 0.233515 0.414185 O\n0.264880 0.769846 0.237044 O\n0.660363 0.766485 0.585816 O\n0.942520 0.293408 0.959077 O\n0.735120 0.230153 0.762956 O\n0.557481 0.293408 0.459077 O\n0.078230 0.018710 0.344435 O\n0.578231 0.981290 0.155565 O\n0.421770 0.018709 0.844435 O\n0.160362 0.233514 0.914185 O\n0.921770 0.981290 0.655565 O\n0.057831 0.457315 0.486800 O\n0.942170 0.542684 0.513201 O\n0.557831 0.542684 0.013201 O\n0.442170 0.457315 0.986800 O\n0.442520 0.706591 0.540923 O\n0.839638 0.766485 0.085816 O\n",
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"elements": [
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],
"chemical_system": "Ho-Mo-O",
"density": 5.691156155349235,
"density_atomic": 0.07038240106604607,
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"formula_full": "Ho4 Mo4 O20",
"formula_reduced": "HoMoO5",
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{
"id": "jvasp-119086",
"created_at": "2022-09-04T14:38:48.524802Z",
"updated_at": "2022-09-04T14:38:48.524832Z",
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"formula_full": "Pr2 Cu18 Sn8",
"formula_reduced": "PrCu9Sn4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}