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{
"id": "mp-1213521",
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"structure_string": "Fe8 N16 F40\n1.0\n7.082228 0.000000 0.000000\n0.000000 9.220436 0.000000\n0.000000 0.000000 15.610832\nFe N F\n8 16 40\ndirect\n0.155396 0.931538 0.094054 Fe\n0.844604 0.068462 0.905946 Fe\n0.344604 0.431538 0.405946 Fe\n0.844604 0.568462 0.094054 Fe\n0.655396 0.568462 0.594054 Fe\n0.155396 0.431538 0.905946 Fe\n0.655396 0.068462 0.405946 Fe\n0.344604 0.931538 0.594054 Fe\n0.341086 0.563896 0.156302 N\n0.658914 0.436104 0.843698 N\n0.158914 0.063896 0.343698 N\n0.658914 0.936104 0.156302 N\n0.841086 0.936104 0.656302 N\n0.341086 0.063896 0.843698 N\n0.841086 0.436104 0.343698 N\n0.158914 0.563896 0.656302 N\n0.000000 0.750000 0.395075 N\n0.000000 0.250000 0.604925 N\n0.500000 0.250000 0.104925 N\n0.500000 0.750000 0.895075 N\n0.000000 0.750000 0.870869 N\n0.000000 0.250000 0.129131 N\n0.500000 0.250000 0.629131 N\n0.500000 0.750000 0.370869 N\n0.136259 0.844099 0.553634 F\n0.863741 0.155901 0.446366 F\n0.363741 0.344099 0.946366 F\n0.863741 0.655901 0.553634 F\n0.636259 0.655901 0.053634 F\n0.136259 0.344099 0.446366 F\n0.636259 0.155901 0.946366 F\n0.363741 0.844099 0.053634 F\n0.191066 0.625773 0.399089 F\n0.808934 0.374227 0.600911 F\n0.308934 0.125773 0.100911 F\n0.808934 0.874227 0.399089 F\n0.691066 0.874227 0.899089 F\n0.191066 0.125773 0.600911 F\n0.691066 0.374227 0.100911 F\n0.308934 0.625773 0.899089 F\n0.316370 0.681124 0.201241 F\n0.683630 0.318876 0.798759 F\n0.183630 0.181124 0.298759 F\n0.683630 0.818876 0.201241 F\n0.816370 0.818876 0.701241 F\n0.316370 0.181124 0.798759 F\n0.816370 0.318876 0.298759 F\n0.183630 0.681124 0.701241 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.911165 0.547856 0.206833 F\n0.088835 0.452144 0.793167 F\n0.588835 0.047856 0.293167 F\n0.088835 0.952144 0.206833 F\n0.411165 0.952144 0.706833 F\n0.911165 0.047856 0.793167 F\n0.411165 0.452144 0.293167 F\n0.588835 0.547856 0.706833 F\n0.000000 0.750000 0.088361 F\n0.000000 0.250000 0.911639 F\n0.500000 0.250000 0.411639 F\n0.500000 0.750000 0.588361 F\n",
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{
"id": "mp-975427",
"created_at": "2022-09-04T14:44:58.674777Z",
"structure_string": "Rb1 Al1 O3\n1.0\n3.944070 0.000000 0.000000\n0.000000 3.944070 0.000000\n0.000000 0.000000 3.944070\nRb Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Rb1 Al1 O3",
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},
{
"id": "mp-1104327",
"created_at": "2022-09-04T14:44:58.601112Z",
"structure_string": "Cr5 Se8\n1.0\n3.624584 5.808177 0.000000\n-3.624584 5.808177 0.000000\n0.000000 5.673743 6.313821\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270795 0.270795 0.985797 Cr\n0.729205 0.729205 0.014203 Cr\n0.271671 0.728329 0.500000 Cr\n0.728329 0.271671 0.500000 Cr\n0.979334 0.979334 0.322354 Se\n0.020666 0.020666 0.677646 Se\n0.453310 0.453310 0.333033 Se\n0.546690 0.546690 0.666967 Se\n0.030797 0.543362 0.171343 Se\n0.543362 0.030797 0.171343 Se\n0.969203 0.456638 0.828657 Se\n0.456638 0.969203 0.828657 Se\n",
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"formula_full": "Cr5 Se8",
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{
"id": "mp-1202576",
"created_at": "2022-09-04T14:44:58.641257Z",
"structure_string": "Tb16 Ga4 Sb4 S36\n1.0\n6.959030 -7.072421 0.000000\n6.959030 7.072421 0.000000\n0.000000 0.000000 13.583021\nTb Ga Sb S\n16 4 4 36\ndirect\n0.091208 0.127539 0.186691 Tb\n0.872461 0.908791 0.813309 Tb\n0.591209 0.627539 0.313309 Tb\n0.372461 0.408791 0.686691 Tb\n0.320559 0.336835 0.399067 Tb\n0.663165 0.679441 0.600933 Tb\n0.820559 0.836835 0.100933 Tb\n0.163165 0.179441 0.899067 Tb\n0.042835 0.625196 0.317645 Tb\n0.374804 0.957165 0.682355 Tb\n0.542835 0.125196 0.182355 Tb\n0.874804 0.457165 0.817645 Tb\n0.327973 0.449839 0.103735 Tb\n0.550161 0.672027 0.896265 Tb\n0.827973 0.949839 0.396265 Tb\n0.050161 0.172027 0.603735 Tb\n0.823899 0.385975 0.091606 Ga\n0.614025 0.176101 0.908394 Ga\n0.323899 0.885975 0.408394 Ga\n0.114025 0.676101 0.591606 Ga\n0.831519 0.329085 0.386981 Sb\n0.670915 0.168481 0.613019 Sb\n0.331519 0.829085 0.113019 Sb\n0.170915 0.668481 0.886981 Sb\n0.014877 0.163630 0.400606 S\n0.836370 0.985123 0.599394 S\n0.514877 0.663630 0.099394 S\n0.336370 0.485123 0.900606 S\n0.147278 0.663226 0.081080 S\n0.336774 0.852722 0.918920 S\n0.647278 0.163226 0.418920 S\n0.836774 0.352722 0.581080 S\n0.818345 0.204204 0.197671 S\n0.795796 0.181655 0.802329 S\n0.318345 0.704204 0.302329 S\n0.295796 0.681655 0.697671 S\n0.821701 0.576381 0.190823 S\n0.423619 0.178299 0.809177 S\n0.321701 0.076381 0.309177 S\n0.923619 0.678299 0.690823 S\n0.125911 0.874089 0.500000 S\n0.625911 0.374089 0.000000 S\n0.117327 0.491369 0.490145 S\n0.508631 0.882673 0.509855 S\n0.617327 0.991369 0.009855 S\n0.008631 0.382673 0.990145 S\n0.812406 0.680993 0.431663 S\n0.319007 0.187594 0.568337 S\n0.312406 0.180993 0.068337 S\n0.819007 0.687594 0.931663 S\n0.003034 0.881276 0.248805 S\n0.118724 0.996966 0.751195 S\n0.503034 0.381276 0.251195 S\n0.618724 0.496966 0.748805 S\n0.499460 0.500540 0.500000 S\n0.999460 0.000540 0.000000 S\n0.142086 0.390074 0.245786 S\n0.609926 0.857914 0.754214 S\n0.642086 0.890074 0.254214 S\n0.109926 0.357914 0.745786 S\n",
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"elements": [
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"spacegroup": 41
},
{
"id": "mp-984586",
"created_at": "2022-09-04T14:44:58.648894Z",
"structure_string": "Nb8 Co8 Si14\n1.0\n-6.295341 6.295341 2.509152\n6.295341 -6.295341 2.509152\n6.295341 6.295341 -2.509152\nNb Co Si\n8 8 14\ndirect\n0.309005 0.500000 0.809005 Nb\n0.690995 0.500000 0.190995 Nb\n0.500000 0.690995 0.190995 Nb\n0.500000 0.309005 0.809005 Nb\n0.133853 0.133853 0.267705 Nb\n0.866147 0.866147 0.732295 Nb\n0.133853 0.866147 0.000000 Nb\n0.866147 0.133853 0.000000 Nb\n0.398776 0.898776 0.797551 Co\n0.101224 0.601224 0.202449 Co\n0.898776 0.101224 0.500000 Co\n0.601224 0.398776 0.500000 Co\n0.601224 0.101224 0.202449 Co\n0.898776 0.398776 0.797551 Co\n0.101224 0.898776 0.500000 Co\n0.398776 0.601224 0.500000 Co\n0.291567 0.291567 0.583134 Si\n0.708433 0.708433 0.416866 Si\n0.291567 0.708433 0.000000 Si\n0.708433 0.291567 0.000000 Si\n0.093726 0.500000 0.593726 Si\n0.906274 0.500000 0.406274 Si\n0.500000 0.906274 0.406274 Si\n0.500000 0.093726 0.593726 Si\n0.249106 0.249106 0.000000 Si\n0.750894 0.750894 0.000000 Si\n0.297069 0.000000 0.297069 Si\n0.702931 0.000000 0.702931 Si\n0.000000 0.702931 0.702931 Si\n0.000000 0.297069 0.297069 Si\n",
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"volume": 397.76400636336626,
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"formula_full": "Nb8 Co8 Si14",
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{
"id": "mp-18995",
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"structure_string": "Ba2 Fe1 Mo1 O6\n1.0\n-1.681981 4.742390 -2.900040\n-1.650234 4.747604 2.892586\n4.959184 -0.011779 -2.867584\nBa Fe Mo O\n2 1 1 6\ndirect\n0.749819 0.500360 0.750256 Ba\n0.250181 0.499640 0.249744 Ba\n0.999999 0.000002 0.000001 Fe\n0.500000 0.000001 0.500000 Mo\n0.250811 0.498350 0.748864 O\n0.749190 0.501649 0.251136 O\n0.746266 0.999653 0.742919 O\n0.746626 0.000313 0.256368 O\n0.253734 0.000346 0.257081 O\n0.253374 0.999687 0.743632 O\n",
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{
"id": "mp-767704",
"created_at": "2022-09-04T14:44:58.690135Z",
"structure_string": "Li9 Mn15 O32\n1.0\n5.786757 5.813532 0.000000\n-5.786757 5.813532 0.000000\n0.000000 5.755124 8.215348\nLi Mn O\n9 15 32\ndirect\n0.500000 0.500000 0.000000 Li\n0.189534 0.682139 0.877874 Li\n0.682139 0.189534 0.877874 Li\n0.563378 0.563378 0.627332 Li\n0.066325 0.066325 0.622593 Li\n0.933675 0.933675 0.377407 Li\n0.436622 0.436622 0.372668 Li\n0.810466 0.317861 0.122126 Li\n0.317861 0.810466 0.122126 Li\n0.249679 0.249679 0.003224 Mn\n0.750321 0.750321 0.996776 Mn\n0.000000 0.000000 0.000000 Mn\n0.375909 0.124613 0.750317 Mn\n0.124613 0.375909 0.750317 Mn\n0.627397 0.873267 0.749822 Mn\n0.873267 0.627397 0.749822 Mn\n0.000000 0.500000 0.500000 Mn\n0.252492 0.747508 0.500000 Mn\n0.747508 0.252492 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.875387 0.624091 0.249683 Mn\n0.372603 0.126733 0.250178 Mn\n0.126733 0.372603 0.250178 Mn\n0.624091 0.875387 0.249683 Mn\n0.018844 0.241198 0.986307 O\n0.241198 0.018844 0.986307 O\n0.764274 0.531211 0.976640 O\n0.531211 0.764274 0.976640 O\n0.354082 0.354082 0.767467 O\n0.647451 0.647451 0.745778 O\n0.132371 0.132371 0.763184 O\n0.860179 0.860179 0.758619 O\n0.619847 0.121889 0.733680 O\n0.397822 0.894242 0.736322 O\n0.121889 0.619847 0.733680 O\n0.894242 0.397822 0.736322 O\n0.011467 0.729947 0.509827 O\n0.504964 0.229910 0.513694 O\n0.229910 0.504964 0.513694 O\n0.729947 0.011467 0.509827 O\n0.770090 0.495036 0.486306 O\n0.988533 0.270053 0.490173 O\n0.270053 0.988533 0.490173 O\n0.495036 0.770090 0.486306 O\n0.602178 0.105758 0.263678 O\n0.105758 0.602178 0.263678 O\n0.878111 0.380153 0.266320 O\n0.380153 0.878111 0.266320 O\n0.867629 0.867629 0.236816 O\n0.139821 0.139821 0.241381 O\n0.352549 0.352549 0.254222 O\n0.645918 0.645918 0.232533 O\n0.235726 0.468789 0.023360 O\n0.468789 0.235726 0.023360 O\n0.758802 0.981156 0.013693 O\n0.981156 0.758802 0.013693 O\n",
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"volume": 552.7532101216543,
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"formula_full": "Li9 Mn15 O32",
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{
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