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{
"id": "mp-558219",
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"structure_string": "Sr2 Li2 B6 S12\n1.0\n4.389934 7.549672 0.000000\n-4.389934 7.549672 0.000000\n0.000000 3.687818 7.178748\nSr Li B S\n2 2 6 12\ndirect\n0.859854 0.621215 0.025338 Sr\n0.621215 0.859854 0.525338 Sr\n0.509773 0.294040 0.062382 Li\n0.294040 0.509773 0.562382 Li\n0.987654 0.970549 0.060946 B\n0.239534 0.161319 0.956714 B\n0.161319 0.239534 0.456714 B\n0.395625 0.755236 0.972597 B\n0.970549 0.987654 0.560946 B\n0.755236 0.395625 0.472597 B\n0.563286 0.595000 0.409196 S\n0.007399 0.183350 0.011958 S\n0.363277 0.264471 0.420908 S\n0.443587 0.951536 0.928401 S\n0.977893 0.766071 0.604602 S\n0.951536 0.443587 0.428401 S\n0.595000 0.563286 0.909196 S\n0.264471 0.363277 0.920908 S\n0.173088 0.746102 0.065468 S\n0.746102 0.173088 0.565468 S\n0.183350 0.007399 0.511958 S\n0.766071 0.977893 0.104602 S\n",
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{
"id": "mp-557962",
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"structure_string": "Sr4 Li4 B4 S12\n1.0\n7.113886 0.000000 0.000000\n0.000000 7.589313 0.000000\n0.000000 0.000000 9.172075\nSr Li B S\n4 4 4 12\ndirect\n0.028184 0.142906 0.250000 Sr\n0.528184 0.357094 0.750000 Sr\n0.471816 0.642906 0.250000 Sr\n0.971816 0.857094 0.750000 Sr\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.038447 0.714022 0.250000 B\n0.461553 0.214022 0.250000 B\n0.538447 0.785978 0.750000 B\n0.961553 0.285978 0.750000 B\n0.868656 0.196286 0.579868 S\n0.131344 0.803714 0.420132 S\n0.131344 0.803714 0.079868 S\n0.878520 0.524022 0.250000 S\n0.378520 0.975978 0.750000 S\n0.621480 0.024022 0.250000 S\n0.631344 0.696286 0.920132 S\n0.631344 0.696286 0.579868 S\n0.121480 0.475978 0.750000 S\n0.368656 0.303714 0.420132 S\n0.368656 0.303714 0.079868 S\n0.868656 0.196286 0.920132 S\n",
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"density": 2.70365677513703,
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"volume": 495.1958120059792,
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"formula_full": "Sr4 Li4 B4 S12",
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},
{
"id": "mp-554131",
"created_at": "2022-09-04T14:47:03.808151Z",
"structure_string": "Sr4 Li4 Co4 F24\n1.0\n8.825812 0.000000 0.000000\n0.000000 5.374265 0.000000\n0.000000 0.476446 10.354323\nSr Li Co F\n4 4 4 24\ndirect\n0.704786 0.753430 0.498799 Sr\n0.204786 0.246570 0.001201 Sr\n0.795214 0.753430 0.998799 Sr\n0.295214 0.246570 0.501201 Sr\n0.078086 0.716436 0.744679 Li\n0.578086 0.283564 0.755321 Li\n0.921914 0.283564 0.255321 Li\n0.421914 0.716436 0.244679 Li\n0.916321 0.215497 0.740880 Co\n0.416321 0.784503 0.759120 Co\n0.583679 0.215497 0.240880 Co\n0.083679 0.784503 0.259120 Co\n0.264777 0.609080 0.862627 F\n0.251631 0.882776 0.151910 F\n0.094808 0.082447 0.356942 F\n0.748369 0.117224 0.848090 F\n0.951269 0.490743 0.859983 F\n0.422530 0.368020 0.149140 F\n0.922530 0.631980 0.350860 F\n0.077470 0.368020 0.649140 F\n0.048731 0.509257 0.140017 F\n0.037690 0.002497 0.861746 F\n0.405192 0.082447 0.856942 F\n0.751631 0.117224 0.348090 F\n0.905192 0.917553 0.643058 F\n0.462310 0.002497 0.361746 F\n0.577470 0.631980 0.850860 F\n0.962310 0.997503 0.138254 F\n0.764777 0.390920 0.637373 F\n0.594808 0.917553 0.143058 F\n0.537690 0.997503 0.638254 F\n0.548731 0.490743 0.359983 F\n0.235223 0.609080 0.362627 F\n0.451269 0.509257 0.640017 F\n0.248369 0.882776 0.651910 F\n0.735223 0.390920 0.137373 F\n",
"nsites": 36,
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"density_atomic": 0.0733005178285043,
"volume": 491.12886329434247,
"volume_molar": 8.21568651682591,
"formula_full": "Sr4 Li4 Co4 F24",
"formula_reduced": "SrLiCoF6",
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"updated_at": "2021-11-28T01:37:55.515000Z",
"spacegroup": 14
},
{
"id": "mp-1208634",
"created_at": "2022-09-04T14:40:56.670041Z",
"structure_string": "Sr2 Li2 Cr2 F12\n1.0\n2.643616 -4.578877 0.000000\n2.643616 4.578877 0.000000\n0.000000 0.000000 10.515217\nSr Li Cr F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.644321 0.018064 0.645367 F\n0.355679 0.981936 0.354633 F\n0.981936 0.626257 0.645367 F\n0.644321 0.626257 0.854633 F\n0.018064 0.373743 0.354633 F\n0.355679 0.373743 0.145367 F\n0.373743 0.355679 0.645367 F\n0.981936 0.355679 0.854633 F\n0.626257 0.644321 0.354633 F\n0.018064 0.644321 0.145367 F\n0.373743 0.018064 0.854633 F\n0.626257 0.981936 0.145367 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cr-F-Li-Sr",
"density": 3.3990726820609707,
"density_atomic": 0.0707077342102139,
"volume": 254.56903973879366,
"volume_molar": 8.516947724694717,
"formula_full": "Sr2 Li2 Cr2 F12",
"formula_reduced": "SrLiCrF6",
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},
{
"id": "mp-1209607",
"created_at": "2022-09-04T14:45:22.937606Z",
"structure_string": "Sr8 Li8 Cu8 N8\n1.0\n6.213901 0.000000 0.000000\n0.000000 6.213901 0.000000\n-3.106950 -3.106950 13.173679\nSr Li Cu N\n8 8 8 8\ndirect\n0.361588 0.638697 0.723175 Sr\n0.361588 0.084479 0.723175 Sr\n0.334479 0.111588 0.223175 Sr\n0.888412 0.665521 0.776825 Sr\n0.888412 0.111303 0.776825 Sr\n0.888697 0.111588 0.223175 Sr\n0.915521 0.638412 0.276825 Sr\n0.361303 0.638412 0.276825 Sr\n0.262437 0.519156 0.524874 Li\n0.262437 0.005718 0.524874 Li\n0.255718 0.012437 0.024874 Li\n0.987563 0.744282 0.975126 Li\n0.987563 0.230844 0.975126 Li\n0.769156 0.012437 0.024874 Li\n0.994282 0.737563 0.475126 Li\n0.480844 0.737563 0.475126 Li\n0.779265 0.021238 0.558531 Cu\n0.779265 0.537293 0.558531 Cu\n0.787293 0.529265 0.058531 Cu\n0.470735 0.212707 0.941469 Cu\n0.470735 0.728762 0.941469 Cu\n0.271238 0.529265 0.058531 Cu\n0.462707 0.220735 0.441469 Cu\n0.978762 0.220735 0.441469 Cu\n0.189273 0.426497 0.378547 N\n0.189273 0.952049 0.378547 N\n0.202049 0.939273 0.878547 N\n0.060727 0.797951 0.121453 N\n0.060727 0.323503 0.121453 N\n0.676497 0.939273 0.878547 N\n0.047951 0.810727 0.621453 N\n0.573503 0.810727 0.621453 N\n",
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],
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"density": 4.494887111085625,
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"volume": 508.6695450788206,
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"formula_full": "Sr8 Li8 Cu8 N8",
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{
"id": "mp-1235444",
"created_at": "2022-09-04T14:41:35.774732Z",
"structure_string": "Sr1 Li1 Eu1 Co2 O6\n1.0\n4.670367 0.000000 0.000000\n0.000000 3.666469 0.000000\n0.000000 0.000000 7.645954\nSr Li Eu Co O\n1 1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.256821 Co\n0.500000 0.500000 0.743179 Co\n0.000000 0.500000 0.227883 O\n0.000000 0.500000 0.772117 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.241704 O\n0.500000 0.000000 0.758296 O\n",
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"formula_full": "Sr1 Li1 Eu1 Co2 O6",
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{
"id": "mp-1236266",
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{
"id": "mp-1236462",
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"structure_string": "Sr1 Li1 Eu1 Co2 O6\n1.0\n3.796551 0.000000 0.000000\n0.000000 4.596917 0.000000\n0.000000 0.000000 7.405507\nSr Li Eu Co O\n1 1 1 2 6\ndirect\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Li\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.240687 Co\n0.500000 0.500000 0.759313 Co\n0.000000 0.500000 0.253718 O\n0.000000 0.500000 0.746282 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.500000 0.500000 O\n0.500000 -0.000000 0.235654 O\n0.500000 -0.000000 0.764346 O\n",
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"formula_full": "Sr1 Li1 Eu1 Co2 O6",
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{
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"structure_string": "Sr2 Li2 Eu2 Te2 O12\n1.0\n5.808376 0.000000 0.000000\n0.000000 5.657582 0.000000\n0.000000 5.595457 7.861589\nSr Li Eu Te O\n2 2 2 2 12\ndirect\n0.292185 0.742453 0.249874 Sr\n0.707815 0.742453 0.749874 Sr\n0.254954 0.501103 0.999162 Li\n0.745046 0.501103 0.499162 Li\n0.807013 0.261436 0.247879 Eu\n0.192987 0.261436 0.747879 Eu\n0.747741 0.999968 0.000172 Te\n0.252259 0.999968 0.500172 Te\n0.780403 0.171366 0.758585 O\n0.018858 0.761723 0.041669 O\n0.051675 0.308214 0.464593 O\n0.566679 0.670011 0.047225 O\n0.533230 0.226536 0.451429 O\n0.271973 0.857191 0.739412 O\n0.219597 0.171366 0.258585 O\n0.981142 0.761723 0.541669 O\n0.948325 0.308214 0.964593 O\n0.433321 0.670011 0.547225 O\n0.466770 0.226536 0.951429 O\n0.728027 0.857191 0.239412 O\n",
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{
"id": "mp-559277",
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"structure_string": "Sr4 Li4 Fe4 F24\n1.0\n8.922911 0.000000 0.000000\n0.000000 5.373151 0.000000\n0.000000 0.393684 10.377971\nSr Li Fe F\n4 4 4 24\ndirect\n0.708375 0.753925 0.496634 Sr\n0.208375 0.246075 0.003366 Sr\n0.791625 0.753925 0.996634 Sr\n0.291625 0.246075 0.503366 Sr\n0.078779 0.713024 0.739956 Li\n0.578779 0.286976 0.760044 Li\n0.921221 0.286976 0.260044 Li\n0.421221 0.713024 0.239956 Li\n0.915303 0.216713 0.740596 Fe\n0.415303 0.783287 0.759404 Fe\n0.584697 0.216713 0.240596 Fe\n0.084697 0.783287 0.259404 Fe\n0.265052 0.607020 0.860987 F\n0.255608 0.882975 0.148913 F\n0.092995 0.084476 0.357615 F\n0.744392 0.117025 0.851087 F\n0.951667 0.492067 0.859669 F\n0.418893 0.374519 0.146164 F\n0.918893 0.625481 0.353836 F\n0.081107 0.374519 0.646164 F\n0.048333 0.507933 0.140331 F\n0.038461 0.006380 0.861154 F\n0.407005 0.084476 0.857615 F\n0.755608 0.117025 0.351087 F\n0.907005 0.915524 0.642385 F\n0.461539 0.006380 0.361154 F\n0.581107 0.625481 0.853836 F\n0.961539 0.993620 0.138846 F\n0.765052 0.392980 0.639013 F\n0.592995 0.915524 0.142385 F\n0.538461 0.993620 0.638846 F\n0.548333 0.492067 0.359669 F\n0.234948 0.607020 0.360987 F\n0.451667 0.507933 0.640331 F\n0.244392 0.882975 0.648913 F\n0.734948 0.392980 0.139013 F\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "F-Fe-Li-Sr",
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"volume": 497.5629792507613,
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"formula_full": "Sr4 Li4 Fe4 F24",
"formula_reduced": "SrLiFeF6",
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"updated_at": "2021-11-28T01:38:09.602000Z",
"spacegroup": 14
},
{
"id": "mp-1208619",
"created_at": "2022-09-04T14:43:11.175330Z",
"structure_string": "Sr2 Li2 Ga2 F12\n1.0\n2.615950 -4.530959 0.000000\n2.615950 4.530959 0.000000\n0.000000 0.000000 10.468016\nSr Li Ga F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.641111 0.018947 0.645315 F\n0.358889 0.981053 0.354685 F\n0.981053 0.622164 0.645315 F\n0.641111 0.622164 0.854685 F\n0.018947 0.377836 0.354685 F\n0.358889 0.377836 0.145315 F\n0.377836 0.358889 0.645315 F\n0.981053 0.358889 0.854685 F\n0.622164 0.641111 0.354685 F\n0.018947 0.641111 0.145315 F\n0.377836 0.018947 0.854685 F\n0.622164 0.981053 0.145315 F\n",
"nsites": 18,
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"elements": [
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"F"
],
"chemical_system": "F-Ga-Li-Sr",
"density": 3.7242466305143953,
"density_atomic": 0.07253682805457676,
"volume": 248.14980862489313,
"volume_molar": 8.302183761700936,
"formula_full": "Sr2 Li2 Ga2 F12",
"formula_reduced": "SrLiGaF6",
"formula_anonymous": "ABCD6",
"energy": -98.68462523,
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"updated_at": "2021-11-28T01:36:04.605000Z",
"spacegroup": 163
},
{
"id": "mp-568385",
"created_at": "2022-09-04T14:47:57.998066Z",
"structure_string": "Sr6 Li6 Ga6 N12\n1.0\n5.133228 3.063475 0.000000\n-5.133228 3.063475 0.000000\n0.000000 0.305237 12.741351\nSr Li Ga N\n6 6 6 12\ndirect\n0.947526 0.947526 0.256586 Sr\n0.820787 0.179213 0.500000 Sr\n0.179213 0.820787 0.500000 Sr\n0.166060 0.833940 0.000000 Sr\n0.833940 0.166060 0.000000 Sr\n0.052474 0.052474 0.743414 Sr\n0.812892 0.447103 0.318009 Li\n0.187108 0.552897 0.681991 Li\n0.447103 0.812892 0.318009 Li\n0.594956 0.594956 0.081118 Li\n0.552897 0.187108 0.681991 Li\n0.405044 0.405044 0.918882 Li\n0.488879 0.813822 0.812498 Ga\n0.813822 0.488879 0.812498 Ga\n0.511121 0.186178 0.187502 Ga\n0.391766 0.391766 0.411352 Ga\n0.608234 0.608234 0.588648 Ga\n0.186178 0.511121 0.187502 Ga\n0.455284 0.137371 0.343142 N\n0.748719 0.748719 0.891251 N\n0.503226 0.147414 0.850965 N\n0.251281 0.251281 0.108749 N\n0.137371 0.455284 0.343142 N\n0.544716 0.862629 0.656858 N\n0.852586 0.496774 0.149035 N\n0.147414 0.503226 0.850965 N\n0.719372 0.719372 0.433112 N\n0.280628 0.280628 0.566888 N\n0.496774 0.852586 0.149035 N\n0.862629 0.544716 0.656858 N\n",
"nsites": 30,
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"elements": [
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"Ga",
"N"
],
"chemical_system": "Ga-Li-N-Sr",
"density": 4.781051144861461,
"density_atomic": 0.07486363046267092,
"volume": 400.72862903648297,
"volume_molar": 8.044147368731746,
"formula_full": "Sr6 Li6 Ga6 N12",
"formula_reduced": "SrLiGaN2",
"formula_anonymous": "ABCD2",
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"updated_at": "2021-11-28T01:38:17.762000Z",
"spacegroup": 12
}
]
}