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{
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"structure_string": "Li16 Mn2 O12\n1.0\n2.770052 -4.797871 0.000000\n2.770052 4.797871 0.000000\n0.000000 0.000000 11.031837\nLi Mn O\n16 2 12\ndirect\n0.000000 0.691716 0.766475 Li\n0.000000 0.616179 0.131350 Li\n0.000000 0.383821 0.631350 Li\n0.000000 0.308284 0.266475 Li\n0.333333 0.666667 0.403355 Li\n0.333333 0.666667 0.903355 Li\n0.308284 0.308284 0.766475 Li\n0.383821 0.383821 0.131350 Li\n0.616179 0.616179 0.631350 Li\n0.308284 0.000000 0.266475 Li\n0.691716 0.691716 0.266475 Li\n0.383821 0.000000 0.631350 Li\n0.666667 0.333333 0.903355 Li\n0.666667 0.333333 0.403355 Li\n0.616179 0.000000 0.131350 Li\n0.691716 0.000000 0.766475 Li\n0.000000 0.000000 0.991515 Mn\n0.000000 0.000000 0.491515 Mn\n0.000000 0.691246 0.948949 O\n0.000000 0.308754 0.448949 O\n0.333333 0.666667 0.218744 O\n0.000000 0.000000 0.169597 O\n0.000000 0.000000 0.669597 O\n0.333333 0.666667 0.718744 O\n0.308754 0.308754 0.948949 O\n0.308754 0.000000 0.448949 O\n0.691246 0.691246 0.448949 O\n0.666667 0.333333 0.718744 O\n0.666667 0.333333 0.218744 O\n0.691246 0.000000 0.948949 O\n",
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},
{
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"structure_string": "Mg14 V1 Fe1 O16\n1.0\n8.551770 0.000000 0.000000\n0.000000 8.568776 0.000000\n0.000000 0.000000 4.268398\nMg V Fe O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.251112 0.500000 Mg\n0.000000 0.748888 0.500000 Mg\n0.500000 0.250256 0.500000 Mg\n0.500000 0.749744 0.500000 Mg\n0.252507 0.000000 0.500000 Mg\n0.251175 0.500000 0.500000 Mg\n0.747493 0.000000 0.500000 Mg\n0.748825 0.500000 0.500000 Mg\n0.250408 0.249201 0.000000 Mg\n0.250408 0.750799 0.000000 Mg\n0.749592 0.249201 0.000000 Mg\n0.749592 0.750799 0.000000 Mg\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Fe\n0.256272 0.000000 0.000000 O\n0.255573 0.500000 0.000000 O\n0.743728 0.000000 0.000000 O\n0.744427 0.500000 0.000000 O\n0.248918 0.249807 0.500000 O\n0.248918 0.750193 0.500000 O\n0.751082 0.249807 0.500000 O\n0.751082 0.750193 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.249345 0.000000 O\n0.000000 0.750655 0.000000 O\n0.500000 0.250335 0.000000 O\n0.500000 0.749665 0.000000 O\n",
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"formula_full": "Mg14 V1 Fe1 O16",
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"spacegroup": 47
},
{
"id": "mp-1033328",
"created_at": "2022-09-04T14:44:13.553621Z",
"structure_string": "Mg6 Cr1 C1 O8\n1.0\n8.970514 0.000000 0.000000\n0.000000 4.175378 0.000000\n0.000000 0.000000 4.175378\nMg Cr C O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260050 0.000000 0.500000 Mg\n0.739950 0.000000 0.500000 Mg\n0.260050 0.500000 0.000000 Mg\n0.739950 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 C\n0.221447 0.000000 0.000000 O\n0.778553 0.000000 0.000000 O\n0.253116 0.500000 0.500000 O\n0.746884 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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],
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"density_atomic": 0.10230834448727533,
"volume": 156.38998050633114,
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"formula_full": "Mg6 Cr1 C1 O8",
"formula_reduced": "Mg6CrCO8",
"formula_anonymous": "ABC6D8",
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"spacegroup": 123
},
{
"id": "mp-1405591",
"created_at": "2022-09-04T14:41:44.937084Z",
"structure_string": "Mn2 Al2 O6\n1.0\n-4.862618 0.000000 0.000000\n2.311301 4.422012 0.000000\n-0.075554 -2.601934 -4.545643\nMn Al O\n2 2 6\ndirect\n0.354445 0.654471 0.059287 Mn\n0.645555 0.345529 0.940713 Mn\n0.148701 0.845138 0.454144 Al\n0.851299 0.154862 0.545856 Al\n0.784878 0.974729 0.259639 O\n0.081696 0.568427 0.281488 O\n0.447854 0.241374 0.256610 O\n0.552146 0.758626 0.743390 O\n0.918304 0.431573 0.718512 O\n0.215122 0.025271 0.740361 O\n",
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"formula_full": "Mn2 Al2 O6",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:42.810000Z",
"spacegroup": 2
},
{
"id": "mp-755265",
"created_at": "2022-09-04T14:39:59.322757Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n2.846898 4.887236 0.000000\n-2.846898 4.887236 0.000000\n0.000000 3.128158 4.917429\nLi Mn Co O\n2 1 3 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.238727 0.729672 0.797759 O\n0.729672 0.238727 0.797759 O\n0.729943 0.729943 0.795412 O\n0.232338 0.232338 0.790073 O\n0.767662 0.767662 0.209927 O\n0.270057 0.270057 0.204588 O\n0.270328 0.761273 0.202241 O\n0.761273 0.270328 0.202241 O\n",
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],
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"formula_full": "Li2 Mn1 Co3 O8",
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"spacegroup": 12
},
{
"id": "mp-1033258",
"created_at": "2022-09-04T14:47:18.536061Z",
"structure_string": "Mg6 Ga1 B1 O8\n1.0\n8.610105 0.000000 0.000000\n0.000000 4.261787 0.000000\n0.000000 0.000000 4.261787\nMg Ga B O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.240628 0.000000 0.500000 Mg\n0.759372 0.000000 0.500000 Mg\n0.240628 0.500000 0.000000 Mg\n0.759372 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Ga\n0.000000 0.000000 0.000000 B\n0.273154 0.000000 0.000000 O\n0.726846 0.000000 0.000000 O\n0.250386 0.500000 0.500000 O\n0.749614 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1037343",
"created_at": "2022-09-04T14:42:56.789379Z",
"structure_string": "Mg30 Zn1 Si1 O32\n1.0\n8.557616 0.000000 0.000000\n0.000000 8.557616 0.000000\n0.000000 0.000000 8.541594\nMg Zn Si O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251686 0.000000 0.248574 Mg\n0.251686 0.000000 0.751426 Mg\n0.748314 0.000000 0.248574 Mg\n0.748314 0.000000 0.751426 Mg\n0.249933 0.500000 0.249898 Mg\n0.249933 0.500000 0.750102 Mg\n0.750067 0.500000 0.249898 Mg\n0.750067 0.500000 0.750102 Mg\n0.000000 0.251686 0.248574 Mg\n0.000000 0.251686 0.751426 Mg\n0.500000 0.249933 0.249898 Mg\n0.500000 0.249933 0.750102 Mg\n0.000000 0.748314 0.248574 Mg\n0.000000 0.748314 0.751426 Mg\n0.500000 0.750067 0.249898 Mg\n0.500000 0.750067 0.750102 Mg\n0.249938 0.249938 0.000000 Mg\n0.251263 0.251263 0.500000 Mg\n0.750062 0.249938 0.000000 Mg\n0.748737 0.251263 0.500000 Mg\n0.249938 0.750062 0.000000 Mg\n0.251263 0.748737 0.500000 Mg\n0.750062 0.750062 0.000000 Mg\n0.748737 0.748737 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Si\n0.000000 0.255573 0.000000 O\n0.000000 0.259249 0.500000 O\n0.500000 0.250699 0.000000 O\n0.500000 0.251209 0.500000 O\n0.000000 0.744427 0.000000 O\n0.000000 0.740751 0.500000 O\n0.500000 0.749301 0.000000 O\n0.500000 0.748791 0.500000 O\n0.249257 0.249257 0.250269 O\n0.249257 0.249257 0.749731 O\n0.750743 0.249257 0.250269 O\n0.750743 0.249257 0.749731 O\n0.249257 0.750743 0.250269 O\n0.249257 0.750743 0.749731 O\n0.750743 0.750743 0.250269 O\n0.750743 0.750743 0.749731 O\n0.000000 0.000000 0.244920 O\n0.000000 0.000000 0.755080 O\n0.500000 0.000000 0.249393 O\n0.500000 0.000000 0.750607 O\n0.000000 0.500000 0.249393 O\n0.000000 0.500000 0.750607 O\n0.500000 0.500000 0.249906 O\n0.500000 0.500000 0.750094 O\n0.255573 0.000000 0.000000 O\n0.259249 0.000000 0.500000 O\n0.744427 0.000000 0.000000 O\n0.740751 0.000000 0.500000 O\n0.250699 0.500000 0.000000 O\n0.251209 0.500000 0.500000 O\n0.749301 0.500000 0.000000 O\n0.748791 0.500000 0.500000 O\n",
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"volume": 625.52477336333,
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"formula_full": "Mg30 Zn1 Si1 O32",
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"spacegroup": 123
},
{
"id": "mp-849470",
"created_at": "2022-09-04T14:42:00.388146Z",
"structure_string": "Li14 Co2 O8 F4\n1.0\n5.339192 0.189804 -0.209846\n-2.805493 1.423700 5.073863\n2.207997 -8.620387 5.215191\nLi Co O F\n14 2 8 4\ndirect\n0.086530 0.033155 0.231744 Li\n0.103199 0.632668 0.741785 Li\n0.479124 0.943504 0.388063 Li\n0.549450 0.581837 0.121910 Li\n0.266043 0.223195 0.443216 Li\n0.228463 0.711813 0.957399 Li\n0.306029 0.357404 0.677944 Li\n0.722228 0.235937 0.062865 Li\n0.753288 0.781159 0.530876 Li\n0.479494 0.496544 0.896767 Li\n0.524364 0.034132 0.613760 Li\n0.923017 0.436852 0.278022 Li\n0.897160 0.906310 0.745666 Li\n0.671718 0.151005 0.827863 Li\n0.055311 0.050075 0.948374 Co\n0.001798 0.496249 0.507783 Co\n0.074233 0.818130 0.404159 O\n0.257859 0.975369 0.795232 O\n0.344505 0.180291 0.036367 O\n0.348960 0.684278 0.565354 O\n0.066373 0.376123 0.881909 O\n0.651391 0.305917 0.459418 O\n0.656439 0.829011 0.944197 O\n0.941745 0.167302 0.606891 O\n0.255556 0.391727 0.278718 F\n0.905050 0.584391 0.111746 F\n0.710056 0.563536 0.722792 F\n0.740616 0.052086 0.219178 F\n",
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"formula_full": "Li14 Co2 O8 F4",
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{
"id": "mp-861786",
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"structure_string": "Li14 Co2 O8 F4\n1.0\n5.346684 0.000000 0.000000\n-2.396525 -5.190217 0.000000\n0.702326 2.687055 -9.861461\nLi Co O F\n14 2 8 4\ndirect\n0.053375 0.198590 0.768256 Li\n0.470530 0.109116 0.258215 Li\n0.535621 0.444559 0.611937 Li\n0.967612 0.540072 0.878090 Li\n0.042848 0.220021 0.556784 Li\n0.516651 0.245587 0.042601 Li\n0.948624 0.320539 0.322056 Li\n0.486291 0.826927 0.937135 Li\n0.972129 0.749717 0.469124 Li\n0.982951 0.400223 0.103233 Li\n0.490232 0.579629 0.386240 Li\n0.486165 0.841170 0.721978 Li\n0.990849 0.839356 0.254334 Li\n0.520713 0.676858 0.172137 Li\n0.005236 0.898299 0.051626 Co\n0.505550 0.011534 0.492217 Co\n0.256104 0.586029 0.595841 O\n0.282491 0.819863 0.204768 O\n0.164215 0.856077 0.963633 O\n0.664682 0.881076 0.434646 O\n0.690251 0.505786 0.118091 O\n0.345474 0.153502 0.540582 O\n0.827427 0.115185 0.055803 O\n0.774443 0.439589 0.393109 O\n0.863829 0.886991 0.721282 F\n0.320659 0.527355 0.888254 F\n0.146520 0.159256 0.277208 F\n0.688530 0.167092 0.780822 F\n",
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{
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},
{
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"formula_full": "Ca4 B10 H6 O22",
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{
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"structure_string": "Na4 P2 H22 O16\n1.0\n6.438716 0.000000 0.000000\n0.000000 7.173386 0.000000\n0.000000 0.000000 9.310498\nNa P H O\n4 2 22 16\ndirect\n0.502396 0.500000 0.847354 Na\n0.497604 0.000000 0.347354 Na\n0.460794 0.500000 0.271549 Na\n0.539206 0.000000 0.771549 Na\n0.853134 0.500000 0.501995 P\n0.146866 0.000000 0.001995 P\n0.898285 0.500000 0.352508 H\n0.101715 0.000000 0.852508 H\n0.217898 0.713655 0.640517 H\n0.217898 0.286345 0.640517 H\n0.782102 0.786345 0.140517 H\n0.782102 0.213655 0.140517 H\n0.451470 0.665864 0.605490 H\n0.451470 0.334136 0.605490 H\n0.548530 0.834136 0.105490 H\n0.548530 0.165864 0.105490 H\n0.813680 0.888504 0.543532 H\n0.813680 0.111496 0.543532 H\n0.186320 0.611496 0.043532 H\n0.186320 0.388504 0.043532 H\n0.851789 0.708606 0.748203 H\n0.851789 0.291394 0.748203 H\n0.148211 0.791394 0.248203 H\n0.148211 0.208606 0.248203 H\n0.866125 0.747151 0.915294 H\n0.866125 0.252849 0.915294 H\n0.133875 0.752849 0.415294 H\n0.133875 0.247151 0.415294 H\n0.615540 0.500000 0.515565 O\n0.384460 0.000000 0.015565 O\n0.955244 0.679496 0.562980 O\n0.955244 0.320504 0.562980 O\n0.044756 0.820504 0.062980 O\n0.044756 0.179496 0.062980 O\n0.361389 0.731970 0.675231 O\n0.361389 0.268030 0.675231 O\n0.638611 0.768030 0.175231 O\n0.638611 0.231970 0.175231 O\n0.722403 0.000000 0.540259 O\n0.277597 0.500000 0.040259 O\n0.767261 0.730341 0.835338 O\n0.767261 0.269659 0.835338 O\n0.232739 0.769659 0.335338 O\n0.232739 0.230341 0.335338 O\n",
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]
}