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{
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{
"id": "mp-558040",
"created_at": "2022-09-04T14:42:45.061422Z",
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},
{
"id": "mp-1175179",
"created_at": "2022-09-04T14:42:44.962116Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.931935 0.000000 0.000000\n0.000000 5.952833 0.000000\n0.000000 2.806378 12.601686\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.186946 0.649647 Li\n0.500000 0.004300 0.493184 Li\n0.000000 0.815539 0.346057 Li\n0.500000 0.658688 0.175563 Li\n0.000000 0.494803 0.008146 Li\n0.500000 0.340872 0.825639 Li\n0.500000 0.499791 0.496797 Li\n0.000000 0.002146 0.002417 Mn\n0.500000 0.831423 0.830931 Mn\n0.000000 0.661781 0.648386 Co\n0.000000 0.344866 0.346167 Co\n0.500000 0.167412 0.180990 Co\n0.000000 0.750994 0.508736 O\n0.500000 0.571329 0.330209 O\n0.000000 0.399427 0.166583 O\n0.500000 0.224666 0.998595 O\n0.000000 0.052117 0.842571 O\n0.500000 0.896966 0.683289 O\n0.000000 0.614272 0.837579 O\n0.500000 0.431486 0.671962 O\n0.000000 0.250333 0.488113 O\n0.500000 0.087010 0.324846 O\n0.000000 0.935600 0.151047 O\n0.500000 0.777235 0.992546 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
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"formula_full": "Li7 Mn2 Co3 O12",
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},
{
"id": "mp-1214815",
"created_at": "2022-09-04T14:42:44.969368Z",
"structure_string": "Co2 N8 F24\n1.0\n0.000000 11.875759 11.875759\n11.875759 0.000000 11.875759\n11.875759 11.875759 0.000000\nCo N F\n2 8 24\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.374194 0.374194 0.374194 N\n0.374194 0.374194 0.877418 N\n0.374194 0.877418 0.374194 N\n0.875806 0.875806 0.372582 N\n0.875806 0.875806 0.875806 N\n0.877418 0.374194 0.374194 N\n0.875806 0.372582 0.875806 N\n0.372582 0.875806 0.875806 N\n0.923446 0.315462 0.315462 F\n0.315462 0.923446 0.445629 F\n0.315462 0.445629 0.923446 F\n0.315462 0.923446 0.315462 F\n0.326554 0.934538 0.804371 F\n0.326554 0.934538 0.934538 F\n0.445629 0.315462 0.315462 F\n0.445629 0.315462 0.923446 F\n0.934538 0.326554 0.934538 F\n0.934538 0.326554 0.804371 F\n0.923446 0.315462 0.445629 F\n0.934538 0.804371 0.934538 F\n0.934538 0.804371 0.326554 F\n0.315462 0.445629 0.315462 F\n0.804371 0.934538 0.326554 F\n0.804371 0.934538 0.934538 F\n0.315462 0.315462 0.923446 F\n0.445629 0.923446 0.315462 F\n0.315462 0.315462 0.445629 F\n0.923446 0.445629 0.315462 F\n0.804371 0.326554 0.934538 F\n0.934538 0.934538 0.326554 F\n0.326554 0.804371 0.934538 F\n0.934538 0.934538 0.804371 F\n",
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"volume": 3349.763319952896,
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"formula_full": "Co2 N8 F24",
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"updated_at": "2021-11-28T01:35:51.214000Z",
"spacegroup": 227
},
{
"id": "mp-1184720",
"created_at": "2022-09-04T14:42:44.971234Z",
"structure_string": "Hg2 Br6\n1.0\n4.472590 -7.746753 0.000000\n4.472590 7.746753 0.000000\n0.000000 0.000000 3.843141\nHg Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n0.196665 0.393329 0.250000 Br\n0.606671 0.803335 0.250000 Br\n0.196665 0.803335 0.250000 Br\n0.803335 0.606671 0.750000 Br\n0.393329 0.196665 0.750000 Br\n0.803335 0.196665 0.750000 Br\n",
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"spacegroup": 194
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{
"id": "mp-1208764",
"created_at": "2022-09-04T14:42:44.974351Z",
"structure_string": "U8 Si28 Ru48\n1.0\n4.013076 0.000000 0.000000\n0.000000 11.282645 0.000000\n0.000000 0.000000 26.433501\nU Si Ru\n8 28 48\ndirect\n0.250000 0.793593 0.212143 U\n0.750000 0.206407 0.787857 U\n0.750000 0.706407 0.712143 U\n0.250000 0.293592 0.287857 U\n0.250000 0.835838 0.435575 U\n0.750000 0.164162 0.564425 U\n0.750000 0.664162 0.935575 U\n0.250000 0.335838 0.064425 U\n0.250000 0.066288 0.132871 Si\n0.750000 0.933712 0.867129 Si\n0.750000 0.433712 0.632871 Si\n0.250000 0.566288 0.367129 Si\n0.250000 0.826484 0.790699 Si\n0.750000 0.173516 0.209301 Si\n0.750000 0.673516 0.290699 Si\n0.250000 0.326484 0.709301 Si\n0.250000 0.737956 0.631270 Si\n0.750000 0.262044 0.368730 Si\n0.750000 0.762044 0.131270 Si\n0.250000 0.237956 0.868730 Si\n0.250000 0.532605 0.565316 Si\n0.750000 0.467395 0.434684 Si\n0.750000 0.967395 0.065316 Si\n0.250000 0.032605 0.934684 Si\n0.250000 0.816389 0.998795 Si\n0.750000 0.183611 0.001205 Si\n0.750000 0.683611 0.498795 Si\n0.250000 0.316389 0.501205 Si\n0.250000 0.955178 0.560189 Si\n0.750000 0.044822 0.439811 Si\n0.750000 0.544822 0.060189 Si\n0.250000 0.455178 0.939811 Si\n0.250000 0.984811 0.316350 Si\n0.750000 0.015189 0.683650 Si\n0.750000 0.515189 0.816350 Si\n0.250000 0.484811 0.183650 Si\n0.250000 0.535632 0.665668 Ru\n0.750000 0.464368 0.334332 Ru\n0.750000 0.964368 0.165668 Ru\n0.250000 0.035632 0.834332 Ru\n0.250000 0.752461 0.541978 Ru\n0.750000 0.247539 0.458022 Ru\n0.750000 0.747539 0.041978 Ru\n0.250000 0.252461 0.958022 Ru\n0.250000 0.580139 0.868792 Ru\n0.750000 0.419861 0.131208 Ru\n0.750000 0.919861 0.368792 Ru\n0.250000 0.080139 0.631208 Ru\n0.250000 0.592478 0.007506 Ru\n0.750000 0.407522 0.992494 Ru\n0.750000 0.907522 0.507506 Ru\n0.250000 0.092478 0.492494 Ru\n0.250000 0.880989 0.696095 Ru\n0.750000 0.119011 0.303905 Ru\n0.750000 0.619011 0.196095 Ru\n0.250000 0.380989 0.803905 Ru\n0.250000 0.770055 0.328495 Ru\n0.750000 0.229945 0.671505 Ru\n0.750000 0.729945 0.828495 Ru\n0.250000 0.270055 0.171505 Ru\n0.250000 0.554774 0.270238 Ru\n0.750000 0.445226 0.729762 Ru\n0.750000 0.945226 0.770238 Ru\n0.250000 0.054774 0.229762 Ru\n0.250000 0.608579 0.764808 Ru\n0.750000 0.391421 0.235192 Ru\n0.750000 0.891421 0.264808 Ru\n0.250000 0.108579 0.735192 Ru\n0.250000 0.620065 0.112226 Ru\n0.750000 0.379935 0.887774 Ru\n0.750000 0.879935 0.612226 Ru\n0.250000 0.120065 0.387774 Ru\n0.250000 0.069671 0.032369 Ru\n0.750000 0.930329 0.967631 Ru\n0.750000 0.430329 0.532369 Ru\n0.250000 0.569671 0.467631 Ru\n0.250000 0.819448 0.897197 Ru\n0.750000 0.180552 0.102803 Ru\n0.750000 0.680552 0.397197 Ru\n0.250000 0.319448 0.602803 Ru\n0.250000 0.868144 0.096564 Ru\n0.750000 0.131856 0.903436 Ru\n0.750000 0.631856 0.596564 Ru\n0.250000 0.368144 0.403436 Ru\n",
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"formula_full": "U8 Si28 Ru48",
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{
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"structure_string": "Fe8 O4 F12\n1.0\n3.363550 -3.479576 0.000000\n3.363550 3.479576 0.000000\n0.000000 0.000000 12.448215\nFe O F\n8 4 12\ndirect\n0.978385 0.978385 0.624974 Fe\n0.978385 0.978385 0.875026 Fe\n0.021615 0.021615 0.124974 Fe\n0.021615 0.021615 0.375026 Fe\n0.475420 0.475420 0.250000 Fe\n0.524580 0.524580 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.319949 0.319949 0.121711 O\n0.319949 0.319949 0.378289 O\n0.680051 0.680051 0.621711 O\n0.680051 0.680051 0.878289 O\n0.785452 0.203666 0.750000 F\n0.792026 0.207974 0.000000 F\n0.796334 0.214548 0.250000 F\n0.792026 0.207974 0.500000 F\n0.294853 0.294853 0.627496 F\n0.294853 0.294853 0.872504 F\n0.705147 0.705147 0.127496 F\n0.705147 0.705147 0.372504 F\n0.207974 0.792026 0.000000 F\n0.214548 0.796334 0.250000 F\n0.203666 0.785452 0.750000 F\n0.207974 0.792026 0.500000 F\n",
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{
"id": "mp-1112469",
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"structure_string": "K2 Ga1 Ag1 Cl6\n1.0\n0.000000 5.112531 5.112531\n5.112531 0.000000 5.112531\n5.112531 5.112531 0.000000\nK Ga Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.764783 0.235217 0.235217 Cl\n0.235217 0.235217 0.764783 Cl\n0.235217 0.764783 0.764783 Cl\n0.235217 0.764783 0.235217 Cl\n0.764783 0.235217 0.764783 Cl\n0.764783 0.764783 0.235217 Cl\n",
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{
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"structure_string": "Ta2 Ti2 Ga2 O12\n1.0\n4.678346 0.000000 0.000000\n0.000000 4.678346 0.000000\n0.000000 0.000000 9.080803\nTa Ti Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.833438 Ta\n0.000000 0.000000 0.333438 Ta\n0.500000 0.500000 0.499367 Ti\n0.000000 0.000000 0.999367 Ti\n0.500000 0.500000 0.167342 Ga\n0.000000 0.000000 0.667342 Ga\n0.194816 0.805184 0.165777 O\n0.199312 0.800688 0.498996 O\n0.195402 0.804598 0.835153 O\n0.805184 0.194816 0.165777 O\n0.800688 0.199312 0.498996 O\n0.804598 0.195402 0.835153 O\n0.300688 0.300688 0.998996 O\n0.304598 0.304598 0.335153 O\n0.305184 0.305184 0.665777 O\n0.699312 0.699312 0.998996 O\n0.695402 0.695402 0.335153 O\n0.694816 0.694816 0.665777 O\n",
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{
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{
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"formula_full": "Li1 Zr2 Os1",
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{
"id": "mp-10045",
"created_at": "2022-09-04T14:42:44.998514Z",
"structure_string": "Ba10 As6\n1.0\n4.782864 -8.284163 0.000000\n4.782864 8.284163 0.000000\n0.000000 0.000000 7.804907\nBa As\n10 6\ndirect\n0.000000 0.257094 0.750000 Ba\n0.000000 0.742906 0.250000 Ba\n0.257094 0.257094 0.250000 Ba\n0.257094 0.000000 0.750000 Ba\n0.742906 0.742906 0.750000 Ba\n0.742906 0.000000 0.250000 Ba\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.606990 0.000000 0.750000 As\n0.606990 0.606990 0.250000 As\n0.000000 0.393010 0.250000 As\n0.000000 0.606990 0.750000 As\n0.393010 0.393010 0.750000 As\n0.393010 0.000000 0.250000 As\n",
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"volume": 618.4924402853607,
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"formula_full": "Ba10 As6",
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"formula_anonymous": "A3B5",
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{
"id": "mp-1100517",
"created_at": "2022-09-04T14:42:45.003395Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.042881 0.000000 0.000000\n-1.652411 -6.279540 0.000000\n-2.165767 0.274948 -7.852583\nLi Mn O\n9 7 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.633256 0.627664 0.868551 Li\n0.868863 0.881149 0.642392 Li\n0.500000 0.500000 0.500000 Li\n0.744577 0.763942 0.236676 Li\n0.366744 0.372336 0.131449 Li\n0.255423 0.236058 0.763324 Li\n0.131137 0.118851 0.357608 Li\n0.500000 0.000000 0.000000 Li\n0.872864 0.368312 0.123745 Mn\n0.127136 0.631688 0.876255 Mn\n0.746014 0.250250 0.754980 Mn\n0.373021 0.878854 0.631755 Mn\n0.000000 0.500000 0.500000 Mn\n0.626979 0.121146 0.368245 Mn\n0.253986 0.749750 0.245020 Mn\n0.819213 0.081595 0.188359 O\n0.401095 0.687703 0.074961 O\n0.681580 0.949736 0.800164 O\n0.304394 0.573517 0.672909 O\n0.555811 0.820546 0.416552 O\n0.181153 0.449835 0.302637 O\n0.054728 0.320766 0.920745 O\n0.905210 0.201381 0.574356 O\n0.180787 0.918405 0.811641 O\n0.818847 0.550165 0.697363 O\n0.094790 0.798619 0.425644 O\n0.695606 0.426483 0.327091 O\n0.945272 0.679234 0.079255 O\n0.598905 0.312297 0.925039 O\n0.444189 0.179454 0.583448 O\n0.318420 0.050264 0.199836 O\n",
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"formula_full": "Li9 Mn7 O16",
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"formula_anonymous": "A7B9C16",
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}