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{
"id": "mp-1212660",
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"structure_string": "Ga2 Cu2 Br8\n1.0\n5.929348 0.000000 0.000000\n0.000000 5.929348 0.000000\n0.000000 0.000000 10.871354\nGa Cu Br\n2 2 8\ndirect\n0.000000 0.500000 0.250000 Ga\n0.500000 0.000000 0.750000 Ga\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.228521 0.264518 0.123514 Br\n0.771479 0.735483 0.123514 Br\n0.264518 0.771479 0.876486 Br\n0.771479 0.264518 0.376486 Br\n0.735483 0.228521 0.876486 Br\n0.228521 0.735483 0.376486 Br\n0.735483 0.771479 0.623514 Br\n0.264518 0.228521 0.623514 Br\n",
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{
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{
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"structure_string": "Ti3 V2 Fe1 P6 O24\n1.0\n7.358669 -4.352104 0.000000\n7.358669 4.352104 0.000000\n4.784725 0.000000 7.085000\nTi V Fe P O\n3 2 1 6 24\ndirect\n0.355257 0.355257 0.355257 Ti\n0.142241 0.142241 0.142241 Ti\n0.645068 0.645068 0.645068 Ti\n0.998769 0.998769 0.998769 V\n0.499004 0.499004 0.499004 V\n0.856546 0.856546 0.856546 Fe\n0.751418 0.046169 0.455904 P\n0.046169 0.455904 0.751418 P\n0.455904 0.751418 0.046169 P\n0.542825 0.251611 0.955280 P\n0.955280 0.542825 0.251611 P\n0.251611 0.955280 0.542825 P\n0.881678 0.502906 0.685499 O\n0.502906 0.685499 0.881678 O\n0.685499 0.881678 0.502906 O\n0.908623 0.058077 0.257391 O\n0.817151 0.015918 0.604743 O\n0.589392 0.241790 0.432786 O\n0.058077 0.257391 0.908623 O\n0.241790 0.432786 0.589392 O\n0.381207 0.184907 0.000087 O\n0.432786 0.589392 0.241790 O\n0.735401 0.098921 0.948197 O\n0.000087 0.381207 0.184907 O\n0.015918 0.604743 0.817151 O\n0.257391 0.908623 0.058077 O\n0.553859 0.412718 0.760193 O\n0.604743 0.817151 0.015918 O\n0.760193 0.553859 0.412718 O\n0.948197 0.735401 0.098921 O\n0.412718 0.760193 0.553859 O\n0.184907 0.000087 0.381207 O\n0.098921 0.948197 0.735401 O\n0.328883 0.112765 0.486805 O\n0.486805 0.328883 0.112765 O\n0.112765 0.486805 0.328883 O\n",
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"formula_full": "Ti3 V2 Fe1 P6 O24",
"formula_reduced": "Ti3V2Fe(PO4)6",
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{
"id": "mp-1174645",
"created_at": "2022-09-04T14:46:10.024285Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.002513 0.000000 0.000000\n-0.962429 5.083508 0.000000\n-1.641457 -1.913801 9.894663\nLi Mn Co O\n8 2 4 14\ndirect\n0.715570 0.430409 0.920109 Li\n0.290222 0.574828 0.074997 Li\n0.853584 0.716616 0.222300 Li\n0.577869 0.134768 0.635591 Li\n0.131579 0.278018 0.772752 Li\n0.428515 0.858552 0.361797 Li\n0.999464 0.999364 0.507161 Li\n0.854159 0.713406 0.711689 Li\n0.000392 0.992944 0.998281 Mn\n0.428331 0.853320 0.854150 Mn\n0.569860 0.140854 0.142120 Co\n0.148185 0.291544 0.289098 Co\n0.717684 0.435587 0.435457 Co\n0.291463 0.581670 0.577090 Co\n0.785319 0.061911 0.837266 O\n0.356082 0.181905 0.970977 O\n0.919066 0.314165 0.103118 O\n0.625043 0.766422 0.533412 O\n0.240667 0.926289 0.692903 O\n0.487183 0.484917 0.251212 O\n0.061487 0.626430 0.391507 O\n0.654417 0.792072 0.023067 O\n0.216269 0.945159 0.168465 O\n0.779737 0.087561 0.305348 O\n0.482562 0.531683 0.759775 O\n0.090134 0.680667 0.901395 O\n0.358046 0.231567 0.461218 O\n0.937110 0.367370 0.597746 O\n",
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],
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"density": 4.125395886588433,
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"volume": 251.62439548009525,
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-625939",
"created_at": "2022-09-04T14:46:10.037574Z",
"structure_string": "Co1 H2 O2\n1.0\n1.618767 2.747186 0.000000\n-1.618767 2.747186 0.000000\n0.000000 0.247178 4.803423\nCo H O\n1 2 2\ndirect\n0.021916 0.978084 0.000000 Co\n0.816234 0.595242 0.585130 H\n0.404758 0.183766 0.414870 H\n0.719414 0.648377 0.780568 O\n0.351623 0.280586 0.219432 O\n",
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"volume": 42.722163312710734,
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"formula_full": "Co1 H2 O2",
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"updated_at": "2021-11-28T01:37:22.086000Z",
"spacegroup": 5
},
{
"id": "mp-769574",
"created_at": "2022-09-04T14:46:09.997512Z",
"structure_string": "Li7 V6 Ni5 O24\n1.0\n-5.834601 0.000000 0.000000\n-0.026575 -5.897622 0.000000\n2.880537 2.826087 12.412490\nLi V Ni O\n7 6 5 24\ndirect\n0.666573 0.669449 0.832223 Li\n0.165847 0.669405 0.831615 Li\n0.837676 0.833857 0.667993 Li\n0.000000 0.000000 0.500000 Li\n0.162324 0.166143 0.332007 Li\n0.834153 0.330595 0.168385 Li\n0.333427 0.330551 0.167777 Li\n0.375978 0.128295 0.751645 V\n0.294053 0.538140 0.582479 V\n0.705947 0.461860 0.417521 V\n0.624022 0.871705 0.248355 V\n0.041947 0.791067 0.083711 V\n0.958053 0.208933 0.916289 V\n0.837119 0.334724 0.667849 Ni\n0.500000 0.000000 0.500000 Ni\n0.162881 0.665276 0.332151 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.417666 0.405450 0.834549 O\n0.417138 0.926962 0.834010 O\n0.091704 0.091245 0.671344 O\n0.581014 0.087726 0.666213 O\n0.576188 0.575922 0.664367 O\n0.087106 0.576189 0.662469 O\n0.259172 0.256709 0.503656 O\n0.254191 0.746874 0.499085 O\n0.740828 0.743291 0.496344 O\n0.745809 0.253126 0.500915 O\n0.423812 0.424078 0.335633 O\n0.912894 0.423811 0.337531 O\n0.908296 0.908755 0.328656 O\n0.418986 0.912274 0.333787 O\n0.582862 0.073038 0.165990 O\n0.582334 0.594550 0.165451 O\n0.080740 0.065627 0.160108 O\n0.084099 0.593447 0.166748 O\n0.748655 0.750015 0.001804 O\n0.255340 0.750305 0.001457 O\n0.251345 0.249985 0.998196 O\n0.744660 0.249695 0.998543 O\n0.915901 0.406553 0.833252 O\n0.919260 0.934373 0.839892 O\n",
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"formula_full": "Li7 V6 Ni5 O24",
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{
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"structure_string": "Pr2 Co1 Ge3\n1.0\n2.124542 -3.679815 0.000000\n2.124542 3.679815 0.000000\n0.000000 0.000000 8.407509\nPr Co Ge\n2 1 3\ndirect\n0.333333 0.666667 0.231853 Pr\n0.333333 0.666667 0.768147 Pr\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Ge\n0.666667 0.333333 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n",
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{
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{
"id": "mp-803041",
"created_at": "2022-09-04T14:46:10.021021Z",
"structure_string": "Li8 Mn2 V2 P6 O24\n1.0\n8.415449 0.000000 0.000000\n-4.141997 7.350062 0.000000\n-0.060616 -4.835775 7.944744\nLi Mn V P O\n8 2 2 6 24\ndirect\n0.735506 0.532756 0.135388 Li\n0.056517 0.169392 0.097379 Li\n0.341444 0.780870 0.147061 Li\n0.201667 0.849977 0.409372 Li\n0.798333 0.150023 0.590628 Li\n0.658556 0.219130 0.852939 Li\n0.943483 0.830608 0.902621 Li\n0.264494 0.467244 0.864612 Li\n0.849941 0.589206 0.561778 Mn\n0.150059 0.410794 0.438222 Mn\n0.351657 0.621492 0.034900 V\n0.648343 0.378508 0.965100 V\n0.050626 0.293172 0.245910 P\n0.453024 0.013877 0.246365 P\n0.745421 0.715227 0.238069 P\n0.254579 0.284773 0.761931 P\n0.546976 0.986123 0.753635 P\n0.949374 0.706828 0.754090 P\n0.849507 0.424010 0.106909 O\n0.496764 0.301946 0.178847 O\n0.167777 0.314298 0.182972 O\n0.445738 0.104708 0.100751 O\n0.790263 0.056154 0.100771 O\n0.248950 0.890421 0.267720 O\n0.032706 0.971662 0.412071 O\n0.602222 0.802753 0.407120 O\n0.527656 0.659562 0.176870 O\n0.866262 0.614477 0.244692 O\n0.791844 0.563746 0.408636 O\n0.147850 0.490785 0.254194 O\n0.852150 0.509215 0.745806 O\n0.208156 0.436254 0.591364 O\n0.133738 0.385523 0.755308 O\n0.472344 0.340438 0.823130 O\n0.397778 0.197247 0.592880 O\n0.967294 0.028338 0.587929 O\n0.751050 0.109579 0.732280 O\n0.209737 0.943846 0.899229 O\n0.554262 0.895292 0.899249 O\n0.832223 0.685702 0.817028 O\n0.503236 0.698054 0.821153 O\n0.150493 0.575990 0.893091 O\n",
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{
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{
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{
"id": "mp-1100498",
"created_at": "2022-09-04T14:46:10.052258Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.883199 5.846105 0.000000\n-2.883199 5.846105 0.000000\n0.000000 5.749200 8.845555\nLi Mn O\n9 7 16\ndirect\n0.250781 0.742662 0.758606 Li\n0.257338 0.749219 0.241394 Li\n0.750126 0.750126 0.500623 Li\n0.746719 0.746719 0.001254 Li\n0.253281 0.253281 0.998746 Li\n0.249874 0.249874 0.499377 Li\n0.742662 0.250781 0.758606 Li\n0.749219 0.257338 0.241394 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.007794 0.504704 0.240595 Mn\n0.000000 0.000000 0.500000 Mn\n0.495296 0.992206 0.759405 Mn\n0.504704 0.007794 0.240595 Mn\n0.992206 0.495296 0.759405 Mn\n0.500000 0.500000 0.500000 Mn\n0.114122 0.637267 0.012252 O\n0.133217 0.633265 0.505075 O\n0.639508 0.639508 0.744376 O\n0.637217 0.637217 0.248376 O\n0.136899 0.136899 0.247062 O\n0.137345 0.137345 0.742731 O\n0.637267 0.114122 0.012252 O\n0.633265 0.133217 0.505075 O\n0.366735 0.866783 0.494925 O\n0.362733 0.885878 0.987748 O\n0.862655 0.862655 0.257269 O\n0.863101 0.863101 0.752938 O\n0.362783 0.362783 0.751624 O\n0.360492 0.360492 0.255624 O\n0.866783 0.366735 0.494925 O\n0.885878 0.362733 0.987748 O\n",
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}
]
}