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{
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"results": [
{
"id": "mp-13494",
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{
"id": "mp-1182832",
"created_at": "2022-09-04T14:43:58.671240Z",
"structure_string": "Eu6 Ge10\n1.0\n8.969549 -12.237462 0.000000\n8.969549 12.237462 0.000000\n0.000000 0.000000 25.796110\nEu Ge\n6 10\ndirect\n0.796070 0.203930 0.000000 Eu\n0.655160 0.655160 0.250000 Eu\n0.796070 0.203930 0.500000 Eu\n0.203930 0.796070 0.000000 Eu\n0.203930 0.796070 0.500000 Eu\n0.344840 0.344840 0.750000 Eu\n0.512478 0.908512 0.750000 Ge\n0.091488 0.487522 0.250000 Ge\n0.044203 0.044203 0.250000 Ge\n0.908512 0.512478 0.750000 Ge\n0.307684 0.307684 0.053948 Ge\n0.487522 0.091488 0.250000 Ge\n0.307684 0.307684 0.446052 Ge\n0.955797 0.955797 0.750000 Ge\n0.692316 0.692316 0.553948 Ge\n0.692316 0.692316 0.946052 Ge\n",
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"elements": [
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"volume": 5662.995008376274,
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"formula_full": "Eu6 Ge10",
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},
{
"id": "mp-30065",
"created_at": "2022-09-04T14:41:27.528958Z",
"structure_string": "V26 O32\n1.0\n-7.536001 7.536001 4.038109\n7.536001 -7.536001 4.038109\n7.536001 7.536001 -4.038109\nV O\n26 32\ndirect\n0.615821 0.020722 0.404901 V\n0.615821 0.210920 0.595099 V\n0.270722 0.365821 0.904901 V\n0.460920 0.365821 0.095099 V\n0.634179 0.539080 0.904901 V\n0.789080 0.384179 0.404901 V\n0.979278 0.384179 0.595099 V\n0.634179 0.729278 0.095099 V\n0.476143 0.375000 0.601143 V\n0.625000 0.523857 0.398857 V\n0.125000 0.226143 0.601143 V\n0.773857 0.875000 0.398857 V\n0.773857 0.375000 0.898857 V\n0.625000 0.226143 0.101143 V\n0.125000 0.523857 0.898857 V\n0.476143 0.875000 0.101143 V\n0.983741 0.375000 0.108741 V\n0.625000 0.016259 0.891259 V\n0.125000 0.733741 0.108741 V\n0.266259 0.875000 0.891259 V\n0.266259 0.375000 0.391259 V\n0.625000 0.733741 0.608741 V\n0.125000 0.016259 0.391259 V\n0.983741 0.875000 0.608741 V\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 V\n0.026471 0.115729 0.403611 O\n0.712118 0.622860 0.596389 O\n0.365729 0.462118 0.589258 O\n0.872860 0.776471 0.410742 O\n0.223529 0.127140 0.589258 O\n0.377140 0.287882 0.403611 O\n0.884271 0.973529 0.596389 O\n0.537882 0.634271 0.410742 O\n0.223529 0.634271 0.096389 O\n0.537882 0.127140 0.903611 O\n0.884271 0.287882 0.910742 O\n0.377140 0.973529 0.089258 O\n0.026471 0.622860 0.910742 O\n0.872860 0.462118 0.096389 O\n0.365729 0.776471 0.903611 O\n0.712118 0.115729 0.089258 O\n0.862281 0.268991 0.406710 O\n0.862281 0.455571 0.593290 O\n0.518990 0.612281 0.906710 O\n0.705571 0.612281 0.093290 O\n0.387719 0.294429 0.906710 O\n0.544429 0.137719 0.406710 O\n0.731009 0.137719 0.593290 O\n0.387719 0.481009 0.093290 O\n0.370885 0.773773 0.402888 O\n0.370885 0.967996 0.597112 O\n0.879115 0.976227 0.097112 O\n0.226227 0.629115 0.597112 O\n0.032004 0.629115 0.402888 O\n0.023773 0.120885 0.902888 O\n0.217996 0.120885 0.097112 O\n0.879115 0.782004 0.902888 O\n",
"nsites": 58,
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"elements": [
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],
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"density": 3.3243795326608043,
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"volume": 917.3180174465875,
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"formula_full": "V26 O32",
"formula_reduced": "V13O16",
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"energy": -490.44814607,
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"updated_at": "2021-11-28T01:35:18.923000Z",
"spacegroup": 141
},
{
"id": "mp-1219345",
"created_at": "2022-09-04T14:45:29.959151Z",
"structure_string": "Sm4 Fe31 Si3\n1.0\n4.223316 2.438631 4.117611\n-4.236989 2.443580 4.128765\n-0.005099 -9.757559 8.242295\nSm Fe Si\n4 31 3\ndirect\n0.660017 0.661503 0.330152 Sm\n0.658500 0.659996 0.830096 Sm\n0.342443 0.341829 0.171252 Sm\n0.342927 0.342701 0.671372 Sm\n0.294039 0.706081 0.499758 Fe\n0.292664 0.707157 0.000837 Fe\n0.707400 0.000702 0.146675 Fe\n0.706873 0.000122 0.645531 Fe\n0.999249 0.292513 0.352906 Fe\n0.998881 0.293066 0.852917 Fe\n0.292877 0.001248 0.353570 Fe\n0.292585 0.001371 0.853452 Fe\n0.998700 0.705629 0.147479 Fe\n0.999607 0.706449 0.646176 Fe\n0.707615 0.291728 0.000209 Fe\n0.705447 0.292905 0.499155 Fe\n0.000553 0.002077 0.249169 Fe\n0.000697 0.001890 0.747822 Fe\n0.001774 0.496179 0.500533 Fe\n0.000505 0.497715 0.001125 Fe\n0.498993 0.999876 0.000263 Fe\n0.496268 0.002580 0.500117 Fe\n0.903796 0.904091 0.451950 Fe\n0.904178 0.903860 0.951759 Fe\n0.094057 0.096156 0.048444 Fe\n0.094151 0.096851 0.546564 Fe\n0.341276 0.342481 0.922277 Fe\n0.340135 0.844697 0.172020 Fe\n0.341920 0.843664 0.669831 Fe\n0.157816 0.658453 0.330105 Fe\n0.157435 0.659006 0.829345 Fe\n0.657745 0.657549 0.078479 Fe\n0.660775 0.658705 0.578336 Fe\n0.659700 0.154930 0.330008 Fe\n0.657671 0.156021 0.828442 Fe\n0.845304 0.339437 0.170500 Si\n0.846472 0.339402 0.668505 Si\n0.338956 0.339382 0.422869 Si\n",
"nsites": 38,
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"elements": [
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"Fe",
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],
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"volume": 510.6000229451728,
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"formula_full": "Sm4 Fe31 Si3",
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"energy": -301.57672141,
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"updated_at": "2021-11-28T01:36:58.276000Z",
"spacegroup": 1
},
{
"id": "mp-1222225",
"created_at": "2022-09-04T14:42:01.808605Z",
"structure_string": "Mn14 Si6 O28\n1.0\n0.000000 -4.904086 0.000000\n-10.293349 0.000000 2.601764\n-0.002009 0.000000 -11.301944\nMn Si O\n14 6 28\ndirect\n0.485572 0.421568 0.704841 Mn\n0.985572 0.078432 0.295159 Mn\n0.495138 0.577713 0.299306 Mn\n0.995138 0.922287 0.700694 Mn\n0.524329 0.177178 0.847816 Mn\n0.024329 0.322822 0.152184 Mn\n0.475819 0.818053 0.145925 Mn\n0.975819 0.681947 0.854075 Mn\n0.493142 0.497219 0.003211 Mn\n0.993142 0.002781 0.996789 Mn\n0.973038 0.158812 0.591511 Mn\n0.473038 0.341188 0.408489 Mn\n0.004994 0.826880 0.425578 Mn\n0.504994 0.673120 0.574422 Mn\n0.070386 0.366317 0.857368 Si\n0.570386 0.133683 0.142632 Si\n0.917801 0.631314 0.148326 Si\n0.417801 0.868686 0.851674 Si\n0.909417 0.479339 0.558144 Si\n0.409417 0.020661 0.441856 Si\n0.246450 0.982293 0.554611 O\n0.746450 0.517707 0.445389 O\n0.741699 0.021083 0.437123 O\n0.241699 0.478917 0.562877 O\n0.271935 0.010043 0.845444 O\n0.771935 0.489957 0.154556 O\n0.706443 0.988969 0.143663 O\n0.206443 0.511031 0.856337 O\n0.791246 0.080756 0.717404 O\n0.291246 0.419244 0.282596 O\n0.267662 0.921078 0.316823 O\n0.767662 0.578922 0.683177 O\n0.776052 0.333293 0.558924 O\n0.276052 0.166707 0.441076 O\n0.300025 0.693357 0.431309 O\n0.800025 0.806643 0.568691 O\n0.708699 0.169506 0.021735 O\n0.208699 0.330494 0.978265 O\n0.279149 0.833028 0.972554 O\n0.779149 0.666972 0.027446 O\n0.220101 0.268558 0.737770 O\n0.720101 0.231442 0.262230 O\n0.768466 0.727364 0.269466 O\n0.268466 0.772636 0.730534 O\n0.738155 0.368363 0.854140 O\n0.238155 0.131637 0.145860 O\n0.248681 0.633702 0.147839 O\n0.748681 0.866298 0.852161 O\n",
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],
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"volume": 570.5417620508427,
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"formula_full": "Mn14 Si6 O28",
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"energy": -417.88384648,
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},
{
"id": "mp-758757",
"created_at": "2022-09-04T14:44:31.655672Z",
"structure_string": "Li12 Mn18 O36\n1.0\n6.552756 0.000000 0.000000\n0.889374 6.574209 0.000000\n1.540839 1.771016 15.790113\nLi Mn O\n12 18 36\ndirect\n0.912532 0.586575 0.416194 Li\n0.755825 0.746506 0.917148 Li\n0.749796 0.750260 0.583157 Li\n0.748108 0.749549 0.249029 Li\n0.587270 0.913365 0.750479 Li\n0.578148 0.921115 0.083399 Li\n0.411216 0.087112 0.915609 Li\n0.414825 0.087306 0.579623 Li\n0.414010 0.082704 0.254257 Li\n0.083469 0.416748 0.916343 Li\n0.085580 0.412710 0.586371 Li\n0.084570 0.416068 0.246426 Li\n0.995653 0.996147 0.666155 Mn\n0.996182 0.997144 0.334757 Mn\n0.848389 0.180340 0.831939 Mn\n0.840016 0.176262 0.498427 Mn\n0.840422 0.175684 0.164931 Mn\n0.659936 0.323782 0.667928 Mn\n0.654528 0.321983 0.334235 Mn\n0.502671 0.502574 0.832108 Mn\n0.664205 0.328846 0.001711 Mn\n0.503994 0.504713 0.500093 Mn\n0.504900 0.509113 0.165865 Mn\n0.325109 0.657478 0.668288 Mn\n0.330333 0.656085 0.335171 Mn\n0.169816 0.844913 0.831586 Mn\n0.317635 0.652825 0.001772 Mn\n0.174685 0.841566 0.498551 Mn\n0.172875 0.839508 0.167205 Mn\n0.997301 0.988128 0.001645 Mn\n0.890678 0.901891 0.799323 O\n0.936461 0.271438 0.698040 O\n0.905989 0.896405 0.453375 O\n0.935447 0.270812 0.365881 O\n0.891795 0.902998 0.132958 O\n0.771661 0.438836 0.887085 O\n0.930662 0.267005 0.045127 O\n0.784644 0.458050 0.536258 O\n0.713845 0.051199 0.969433 O\n0.779409 0.441737 0.204493 O\n0.714176 0.042311 0.629933 O\n0.593947 0.602844 0.713311 O\n0.729417 0.060120 0.281037 O\n0.609606 0.601236 0.367757 O\n0.566376 0.228765 0.801263 O\n0.454065 0.780810 0.863699 O\n0.597363 0.601441 0.035532 O\n0.564571 0.229379 0.467023 O\n0.437979 0.771356 0.552333 O\n0.394900 0.395418 0.946466 O\n0.575005 0.224577 0.118484 O\n0.450756 0.799659 0.203557 O\n0.386458 0.390966 0.628071 O\n0.277131 0.929339 0.701038 O\n0.388592 0.389719 0.287039 O\n0.236244 0.566300 0.788197 O\n0.265197 0.930742 0.378246 O\n0.276679 0.932019 0.033103 O\n0.220636 0.568651 0.468015 O\n0.054969 0.716164 0.953677 O\n0.111720 0.116657 0.879278 O\n0.228899 0.564528 0.135652 O\n0.061584 0.730706 0.614034 O\n0.114162 0.108855 0.537975 O\n0.046117 0.719463 0.302214 O\n0.105355 0.102992 0.220556 O\n",
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"Mn",
"O"
],
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"density": 4.02341160065103,
"density_atomic": 0.09702668513799141,
"volume": 680.2252380995471,
"volume_molar": 6.206685048999981,
"formula_full": "Li12 Mn18 O36",
"formula_reduced": "Li2Mn3O6",
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"energy": -500.78222264,
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"spacegroup": 1
},
{
"id": "mp-23512",
"created_at": "2022-09-04T14:47:27.389035Z",
"structure_string": "Mn16 Cl6 O20\n1.0\n8.114155 -0.004864 -4.678870\n-5.404916 7.649717 -0.008760\n-0.003436 0.004864 9.366500\nMn Cl O\n16 6 20\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.750000 0.250000 Mn\n0.500000 0.250000 0.750000 Mn\n0.648502 0.000000 0.648502 Mn\n0.648502 0.648502 0.000000 Mn\n0.351498 0.351498 0.000000 Mn\n0.351498 0.000000 0.351498 Mn\n0.351559 0.000007 0.000007 Mn\n0.648441 0.648447 0.648447 Mn\n0.648441 0.999993 0.999993 Mn\n0.000000 0.648447 0.000007 Mn\n0.000000 0.000007 0.648447 Mn\n0.000000 0.999993 0.351553 Mn\n0.000000 0.351553 0.999993 Mn\n0.351559 0.351553 0.351553 Mn\n0.000000 0.304012 0.304012 Cl\n0.000000 0.695988 0.695988 Cl\n0.000000 0.696079 0.303921 Cl\n0.000000 0.303921 0.696079 Cl\n0.607841 0.303921 0.303921 Cl\n0.392159 0.696079 0.696079 Cl\n0.199053 0.099545 0.900491 O\n0.800947 0.701438 0.900491 O\n0.800947 0.099509 0.900455 O\n0.199053 0.900491 0.099545 O\n0.800947 0.900491 0.701438 O\n0.800947 0.900455 0.099509 O\n0.199053 0.298562 0.099509 O\n0.199053 0.099509 0.298562 O\n0.500000 0.403699 0.903699 O\n0.500000 0.903699 0.403699 O\n0.500000 0.596301 0.096301 O\n0.500000 0.096301 0.596301 O\n0.807498 0.403749 0.903749 O\n0.500000 0.903749 0.096251 O\n0.500000 0.596251 0.403749 O\n0.192502 0.096251 0.596251 O\n0.500000 0.096251 0.903749 O\n0.500000 0.403749 0.596251 O\n0.807498 0.903749 0.403749 O\n0.192502 0.596251 0.096251 O\n",
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"id": "mp-758512",
"created_at": "2022-09-04T14:46:02.909145Z",
"structure_string": "Li9 Ti6 Mn15 O36\n1.0\n5.142239 0.000000 0.000000\n-2.490232 4.633531 0.000000\n-0.583343 -0.518381 29.803762\nLi Ti Mn O\n9 6 15 36\ndirect\n0.814271 0.158628 0.495624 Li\n0.843752 0.168968 0.002495 Li\n0.498478 0.153823 0.828695 Li\n0.503747 0.166753 0.336462 Li\n0.168265 0.162931 0.162811 Li\n0.833300 0.841680 0.083784 Li\n0.491138 0.842625 0.671110 Li\n0.498283 0.835967 0.416814 Li\n0.148963 0.828338 0.751174 Li\n0.848756 0.494304 0.918603 Ti\n0.820678 0.506927 0.414875 Ti\n0.471564 0.491409 0.747814 Ti\n0.508422 0.493833 0.251567 Ti\n0.194684 0.515568 0.585053 Ti\n0.157185 0.506142 0.081758 Ti\n0.813936 0.148613 0.751950 Mn\n0.831303 0.158917 0.248844 Mn\n0.515701 0.175057 0.582338 Mn\n0.483406 0.150291 0.083981 Mn\n0.172316 0.158146 0.914915 Mn\n0.145040 0.149578 0.418181 Mn\n0.843617 0.517001 0.670150 Mn\n0.831770 0.516772 0.163668 Mn\n0.515314 0.516966 0.003523 Mn\n0.494107 0.508645 0.497139 Mn\n0.857713 0.852363 0.581581 Mn\n0.179656 0.514006 0.336872 Mn\n0.160604 0.512787 0.830538 Mn\n0.516059 0.833055 0.915593 Mn\n0.175664 0.835453 0.249209 Mn\n0.849924 0.212589 0.618893 O\n0.843517 0.214101 0.121925 O\n0.859924 0.232239 0.873874 O\n0.850659 0.201135 0.379528 O\n0.552482 0.180876 0.951261 O\n0.505805 0.215078 0.455881 O\n0.523266 0.187583 0.713570 O\n0.513868 0.227443 0.208247 O\n0.825706 0.464809 0.546486 O\n0.829101 0.462841 0.044710 O\n0.792271 0.445977 0.786975 O\n0.820607 0.497529 0.288197 O\n0.169061 0.207838 0.788760 O\n0.212585 0.186138 0.285722 O\n0.209478 0.212040 0.545554 O\n0.188827 0.201676 0.045881 O\n0.520511 0.517099 0.881387 O\n0.499473 0.470177 0.378005 O\n0.461085 0.446474 0.119882 O\n0.505539 0.527605 0.622225 O\n0.817880 0.814358 0.952839 O\n0.180365 0.506266 0.711207 O\n0.796116 0.796294 0.456552 O\n0.849792 0.816631 0.212045 O\n0.179208 0.517244 0.214390 O\n0.791438 0.812880 0.716894 O\n0.120817 0.439532 0.454208 O\n0.158887 0.494943 0.955132 O\n0.477399 0.815559 0.286371 O\n0.457006 0.789129 0.790930 O\n0.484677 0.794668 0.541679 O\n0.483696 0.821166 0.050240 O\n0.206651 0.841535 0.618183 O\n0.190296 0.814229 0.878457 O\n0.139438 0.804737 0.121895 O\n0.149944 0.821144 0.384230 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.091497165601982,
"density_atomic": 0.09294125191357429,
"volume": 710.1260058490835,
"volume_molar": 6.479513279636007,
"formula_full": "Li9 Ti6 Mn15 O36",
"formula_reduced": "Li3Ti2Mn5O12",
"formula_anonymous": "A2B3C5D12",
"energy": -541.7913826,
"energy_per_atom": -8.208960342424243,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -492.0393826,
"band_gap": 0.2503999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 66.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.060000Z",
"spacegroup": 1
}
]
}