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{
"id": "mp-1041518",
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{
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"spacegroup": 14
},
{
"id": "mp-1097023",
"created_at": "2022-09-04T14:47:59.424859Z",
"structure_string": "K4 Fe4 O12\n1.0\n5.089854 0.000000 0.000000\n0.000000 5.611265 0.000000\n0.000000 0.000000 13.329225\nK Fe O\n4 4 12\ndirect\n0.761639 0.250000 0.409226 K\n0.261639 0.250000 0.090774 K\n0.238361 0.750000 0.590774 K\n0.738361 0.750000 0.909226 K\n0.313528 0.750000 0.329357 Fe\n0.813528 0.750000 0.170643 Fe\n0.686472 0.250000 0.670643 Fe\n0.186472 0.250000 0.829357 Fe\n0.251889 0.504981 0.396765 O\n0.751889 0.995019 0.103235 O\n0.748111 0.004981 0.603235 O\n0.248111 0.495019 0.896765 O\n0.748111 0.495019 0.603235 O\n0.248111 0.004981 0.896765 O\n0.251889 0.995019 0.396765 O\n0.751889 0.504981 0.103235 O\n0.655792 0.750000 0.294569 O\n0.155792 0.750000 0.205431 O\n0.344208 0.250000 0.705431 O\n0.844208 0.250000 0.794569 O\n",
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"formula_full": "K4 Fe4 O12",
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{
"id": "mp-1045571",
"created_at": "2022-09-04T14:42:19.487255Z",
"structure_string": "Al2 Ni6 Se4 Cl2 O16\n1.0\n5.589556 0.000000 0.000000\n0.000000 8.024171 0.000000\n0.000000 0.000000 9.640813\nAl Ni Se Cl O\n2 6 4 2 16\ndirect\n0.500000 0.647772 0.000000 Al\n0.000000 0.352228 0.500000 Al\n0.250000 0.500000 0.750000 Ni\n0.250000 0.500000 0.250000 Ni\n0.750000 0.500000 0.750000 Ni\n0.000000 0.730721 0.500000 Ni\n0.500000 0.269279 0.000000 Ni\n0.750000 0.500000 0.250000 Ni\n0.000000 0.861818 0.831293 Se\n0.500000 0.138182 0.668707 Se\n0.000000 0.861818 0.168707 Se\n0.500000 0.138182 0.331293 Se\n0.500000 0.680354 0.500000 Cl\n0.000000 0.319646 0.000000 Cl\n0.500000 0.466066 0.877940 O\n0.500000 0.101439 0.841514 O\n0.000000 0.898561 0.341514 O\n0.249407 0.721223 0.858341 O\n0.250593 0.278777 0.358341 O\n0.749407 0.278777 0.358341 O\n0.000000 0.533934 0.622060 O\n0.750593 0.721223 0.858341 O\n0.750593 0.721223 0.141659 O\n0.749407 0.278777 0.641659 O\n0.500000 0.466066 0.122060 O\n0.000000 0.533934 0.377940 O\n0.250593 0.278777 0.641659 O\n0.249407 0.721223 0.141659 O\n0.000000 0.898561 0.658486 O\n0.500000 0.101439 0.158486 O\n",
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"formula_full": "Al2 Ni6 Se4 Cl2 O16",
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"energy": -182.17996129,
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"spacegroup": 59
},
{
"id": "mp-755858",
"created_at": "2022-09-04T14:39:49.520278Z",
"structure_string": "Li5 Fe2 Co3 O10\n1.0\n5.157024 0.000000 0.000000\n-0.813765 5.101439 0.000000\n-2.462841 -2.289164 7.018577\nLi Fe Co O\n5 2 3 10\ndirect\n0.080163 0.791097 0.587466 Li\n0.703794 0.601387 0.211847 Li\n0.500000 0.500000 0.500000 Li\n0.296206 0.398613 0.788153 Li\n0.919837 0.208903 0.412534 Li\n0.307502 0.901189 0.308364 Fe\n0.692498 0.098811 0.691636 Fe\n0.500000 0.000000 0.000000 Co\n0.100840 0.307279 0.109583 Co\n0.899160 0.692721 0.890417 Co\n0.907745 0.947331 0.139960 O\n0.287914 0.657628 0.049638 O\n0.686187 0.856984 0.452091 O\n0.514294 0.773724 0.769825 O\n0.102688 0.541650 0.332917 O\n0.897312 0.458350 0.667083 O\n0.485706 0.226276 0.230175 O\n0.313813 0.143016 0.547909 O\n0.712086 0.342372 0.950362 O\n0.092255 0.052669 0.860040 O\n",
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"formula_full": "Li5 Fe2 Co3 O10",
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{
"id": "mp-1205287",
"created_at": "2022-09-04T14:47:17.893533Z",
"structure_string": "K2 V10 Ni2 O44\n1.0\n9.821211 0.000000 0.000000\n2.788673 10.520912 0.000000\n3.989480 3.621021 9.564590\nK V Ni O\n2 10 2 44\ndirect\n0.277257 0.279083 0.435057 K\n0.722743 0.720917 0.564943 K\n0.628091 0.315462 0.759434 V\n0.371909 0.684538 0.240566 V\n0.321616 0.261707 0.765736 V\n0.678384 0.738293 0.234264 V\n0.612737 0.052382 0.709106 V\n0.387263 0.947618 0.290894 V\n0.360054 0.243934 0.048309 V\n0.639946 0.756066 0.951691 V\n0.339650 0.975535 0.007883 V\n0.660350 0.024465 0.992117 V\n0.802921 0.311597 0.174160 Ni\n0.197079 0.688403 0.825840 Ni\n0.465757 0.374403 0.693693 O\n0.534243 0.625597 0.306307 O\n0.607178 0.352968 0.163603 O\n0.392822 0.647032 0.836397 O\n0.738207 0.059960 0.303863 O\n0.261793 0.940040 0.696137 O\n0.928346 0.276503 0.281814 O\n0.071654 0.723497 0.718186 O\n0.605595 0.359185 0.280210 O\n0.394405 0.640815 0.719790 O\n0.929614 0.403247 0.295244 O\n0.070386 0.596753 0.704756 O\n0.203946 0.340543 0.677244 O\n0.796054 0.659457 0.322756 O\n0.923696 0.286130 0.032169 O\n0.076304 0.713870 0.967831 O\n0.726077 0.441290 0.675740 O\n0.273923 0.558710 0.324260 O\n0.001786 0.390684 0.373247 O\n0.998214 0.609316 0.626753 O\n0.157948 0.031608 0.689256 O\n0.842052 0.968392 0.310744 O\n0.447169 0.152655 0.660216 O\n0.552831 0.847345 0.339784 O\n0.248681 0.309479 0.929809 O\n0.751319 0.690521 0.070191 O\n0.706450 0.196857 0.655226 O\n0.293550 0.803143 0.344774 O\n0.508629 0.345988 0.927511 O\n0.491371 0.654012 0.072489 O\n0.489457 0.117745 0.901985 O\n0.510543 0.882255 0.098015 O\n0.487115 0.904387 0.867197 O\n0.512885 0.095613 0.132803 O\n0.236750 0.087443 0.897820 O\n0.763250 0.912557 0.102180 O\n0.280512 0.310651 0.169996 O\n0.719488 0.689349 0.830004 O\n0.280533 0.060748 0.142231 O\n0.719467 0.939252 0.857769 O\n0.259431 0.827121 0.110727 O\n0.740569 0.172879 0.889273 O\n0.692683 0.975889 0.595692 O\n0.307317 0.024111 0.404308 O\n",
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"formula_full": "K2 V10 Ni2 O44",
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{
"id": "mp-510055",
"created_at": "2022-09-04T14:39:47.916892Z",
"structure_string": "Co4 B4 O10\n1.0\n3.191600 0.000000 0.000000\n-0.214732 6.214557 0.000000\n-0.103715 -2.316023 9.049313\nCo B O\n4 4 10\ndirect\n0.271209 0.787410 0.641218 Co\n0.728791 0.212590 0.358782 Co\n0.763434 0.627380 0.898105 Co\n0.236566 0.372620 0.101895 Co\n0.301851 0.318364 0.644927 B\n0.698149 0.681636 0.355073 B\n0.666134 0.119883 0.830847 B\n0.333866 0.880117 0.169153 B\n0.737921 0.303395 0.945833 O\n0.262079 0.696605 0.054167 O\n0.782665 0.908238 0.818863 O\n0.217335 0.091762 0.181137 O\n0.261251 0.523594 0.741568 O\n0.738749 0.476406 0.258432 O\n0.440377 0.140624 0.701689 O\n0.559623 0.859376 0.298311 O\n0.228292 0.276192 0.497586 O\n0.771708 0.723808 0.502414 O\n",
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"formula_full": "Co4 B4 O10",
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{
"id": "mp-1176196",
"created_at": "2022-09-04T14:43:07.273029Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.982261 0.000000 0.000000\n1.180773 7.735404 0.000000\n0.063099 0.175716 12.582137\nLi Mn Co O\n9 2 5 16\ndirect\n0.197826 0.621892 0.058047 Li\n0.939432 0.125325 0.313074 Li\n0.687004 0.624512 0.565509 Li\n0.795502 0.381286 0.932504 Li\n0.554925 0.877297 0.187952 Li\n0.314602 0.375227 0.438788 Li\n0.448257 0.113437 0.811464 Li\n0.065901 0.871493 0.694915 Li\n0.609406 0.758506 0.870218 Li\n0.008509 0.992950 0.996263 Mn\n0.123800 0.749970 0.375696 Mn\n0.750670 0.497673 0.247802 Co\n0.492705 0.002557 0.502794 Co\n0.244517 0.510137 0.755032 Co\n0.384329 0.246491 0.124589 Co\n0.874861 0.252860 0.627881 Co\n0.572601 0.835465 0.027277 O\n0.335381 0.319621 0.269386 O\n0.072365 0.820279 0.524049 O\n0.225350 0.549459 0.891841 O\n0.001413 0.072480 0.147491 O\n0.760746 0.563148 0.399506 O\n0.879413 0.320778 0.773464 O\n0.462726 0.067182 0.649585 O\n0.749122 0.427320 0.096895 O\n0.489389 0.937750 0.351544 O\n0.293812 0.434369 0.608236 O\n0.439293 0.165489 0.979433 O\n0.159964 0.680272 0.224876 O\n0.911183 0.187433 0.478260 O\n0.022184 0.946573 0.854228 O\n0.632811 0.670767 0.721401 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.916168 0.000000 0.000000\n1.517888 6.304589 0.000000\n1.297196 0.101190 7.670079\nLi Mn Co O\n9 2 5 16\ndirect\n0.936760 0.880003 0.369857 Li\n0.682668 0.369851 0.882863 Li\n0.573645 0.137933 0.608242 Li\n0.314910 0.613627 0.136731 Li\n0.188194 0.367612 0.880930 Li\n0.810964 0.617210 0.132487 Li\n0.440623 0.884138 0.369100 Li\n0.060163 0.131267 0.620461 Li\n0.628948 0.252897 0.248702 Li\n0.996169 0.999311 0.004830 Mn\n0.875092 0.751414 0.748058 Mn\n0.751963 0.505665 0.495218 Co\n0.500451 0.001539 0.004813 Co\n0.260953 0.489685 0.487030 Co\n0.376422 0.738388 0.746524 Co\n0.120866 0.252305 0.249869 Co\n0.200515 0.938212 0.178817 O\n0.956236 0.461177 0.675871 O\n0.849138 0.214263 0.434480 O\n0.608243 0.708973 0.924182 O\n0.456235 0.450525 0.694655 O\n0.081744 0.701955 0.924167 O\n0.728795 0.944957 0.162512 O\n0.330132 0.198930 0.440905 O\n0.660653 0.803222 0.576231 O\n0.400412 0.288108 0.067711 O\n0.276567 0.036068 0.835422 O\n0.038689 0.557503 0.310263 O\n0.920047 0.291150 0.060197 O\n0.531762 0.566211 0.335505 O\n0.138519 0.798500 0.576775 O\n0.803519 0.047400 0.816589 O\n",
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