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{
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"results": [
{
"id": "mp-758888",
"created_at": "2022-09-04T14:47:04.383651Z",
"structure_string": "Li6 Fe7 O15\n1.0\n1.972848 7.700165 0.000000\n-1.972848 7.700165 0.000000\n0.000000 1.832833 8.817694\nLi Fe O\n6 7 15\ndirect\n0.797806 0.797806 0.732832 Li\n0.403255 0.403255 0.866282 Li\n0.403475 0.403475 0.525161 Li\n0.596525 0.596525 0.474839 Li\n0.202194 0.202194 0.267168 Li\n0.596745 0.596745 0.133718 Li\n0.193058 0.193058 0.606888 Fe\n0.997186 0.997186 0.670063 Fe\n0.806942 0.806942 0.393112 Fe\n0.002814 0.002814 0.329937 Fe\n0.806102 0.806102 0.068908 Fe\n0.000000 0.000000 0.000000 Fe\n0.193898 0.193898 0.931092 Fe\n0.279659 0.279659 0.737855 O\n0.095696 0.095696 0.800083 O\n0.487777 0.487777 0.665343 O\n0.707595 0.707595 0.579317 O\n0.292405 0.292405 0.420683 O\n0.095351 0.095351 0.483685 O\n0.904649 0.904649 0.516315 O\n0.720341 0.720341 0.262145 O\n0.512223 0.512223 0.334657 O\n0.904304 0.904304 0.199917 O\n0.094273 0.094273 0.123773 O\n0.292913 0.292913 0.050026 O\n0.707087 0.707087 0.949974 O\n0.500000 0.500000 0.000000 O\n0.905727 0.905727 0.876227 O\n",
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{
"id": "mp-1026819",
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"structure_string": "Ba1 Li1 Mg14\n1.0\n6.673026 0.000000 -0.000000\n-3.336513 5.779009 0.000000\n0.000000 0.000000 10.459431\nBa Li Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Li\n0.164876 0.832437 0.125000 Mg\n0.177452 0.838726 0.625000 Mg\n0.667563 0.335124 0.125000 Mg\n0.661274 0.322548 0.625000 Mg\n0.667563 0.832437 0.125000 Mg\n0.661274 0.838726 0.625000 Mg\n0.337823 0.162177 0.362735 Mg\n0.337823 0.162177 0.887265 Mg\n0.337823 0.675648 0.362735 Mg\n0.337823 0.675648 0.887265 Mg\n0.824352 0.162177 0.362735 Mg\n0.824352 0.162177 0.887265 Mg\n0.833333 0.666667 0.379336 Mg\n0.833333 0.666667 0.870664 Mg\n",
"nsites": 16,
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"elements": [
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"Li",
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],
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"density": 1.9947693783484695,
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"volume": 403.3520300569176,
"volume_molar": 15.18151688021568,
"formula_full": "Ba1 Li1 Mg14",
"formula_reduced": "BaLiMg14",
"formula_anonymous": "ABC14",
"energy": -25.10102516,
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"spacegroup": 187
},
{
"id": "mp-2364",
"created_at": "2022-09-04T14:47:04.471756Z",
"structure_string": "Pa1 O2\n1.0\n0.000000 2.728806 2.728806\n2.728806 0.000000 2.728806\n2.728806 2.728806 0.000000\nPa O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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"volume": 40.639464772913264,
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"formula_full": "Pa1 O2",
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"updated_at": "2021-11-28T01:37:53.670000Z",
"spacegroup": 225
},
{
"id": "mp-558769",
"created_at": "2022-09-04T14:47:10.251248Z",
"structure_string": "Na6 Li8 Th12 F62\n1.0\n4.980998 -8.627342 0.000000\n4.980998 8.627342 0.000000\n0.000000 0.000000 13.465314\nNa Li Th F\n6 8 12 62\ndirect\n0.333333 0.666667 0.757277 Na\n0.000000 0.000000 0.123509 Na\n0.333333 0.666667 0.257277 Na\n0.666667 0.333333 0.953475 Na\n0.666667 0.333333 0.453475 Na\n0.000000 0.000000 0.623509 Na\n0.238297 0.951194 0.311740 Li\n0.712897 0.951194 0.811740 Li\n0.000000 0.000000 0.361032 Li\n0.000000 0.000000 0.861032 Li\n0.048806 0.287103 0.311740 Li\n0.048806 0.761703 0.811740 Li\n0.712897 0.761703 0.311740 Li\n0.238297 0.287103 0.811740 Li\n0.913861 0.325301 0.706669 Th\n0.603973 0.920924 0.500909 Th\n0.411439 0.086139 0.706669 Th\n0.674699 0.086139 0.206669 Th\n0.079076 0.683049 0.500909 Th\n0.913861 0.588561 0.206669 Th\n0.316951 0.920924 0.000909 Th\n0.674699 0.588561 0.706669 Th\n0.079076 0.396027 0.000909 Th\n0.316951 0.396027 0.500909 Th\n0.411439 0.325301 0.206669 Th\n0.603973 0.683049 0.000909 Th\n0.810848 0.689784 0.083717 F\n0.165656 0.654645 0.954790 F\n0.443164 0.129776 0.884769 F\n0.285037 0.425169 0.310964 F\n0.893410 0.080852 0.264225 F\n0.488990 0.834344 0.954790 F\n0.443164 0.313388 0.384769 F\n0.140132 0.425169 0.810964 F\n0.188544 0.883212 0.624304 F\n0.415602 0.546020 0.646908 F\n0.285037 0.859868 0.810964 F\n0.130418 0.584398 0.646908 F\n0.686612 0.556836 0.884769 F\n0.694668 0.811456 0.624304 F\n0.116788 0.811456 0.124304 F\n0.800503 0.906211 0.933118 F\n0.893410 0.812558 0.764225 F\n0.310216 0.121064 0.083717 F\n0.884097 0.464768 0.051871 F\n0.580671 0.115903 0.051871 F\n0.415602 0.869582 0.146908 F\n0.648133 0.554138 0.262648 F\n0.116788 0.305332 0.624304 F\n0.580671 0.464768 0.551871 F\n0.453980 0.584398 0.146908 F\n0.800503 0.894292 0.433118 F\n0.574831 0.859868 0.310964 F\n0.906005 0.351867 0.262648 F\n0.105708 0.906211 0.433118 F\n0.093789 0.199497 0.433118 F\n0.188544 0.305332 0.124304 F\n0.310216 0.189152 0.583717 F\n0.686612 0.129776 0.384769 F\n0.878936 0.689784 0.583717 F\n0.093789 0.894292 0.933118 F\n0.870224 0.313388 0.884769 F\n0.345355 0.511010 0.954790 F\n0.648133 0.093995 0.762648 F\n0.445862 0.093995 0.262648 F\n0.878936 0.189152 0.083717 F\n0.810848 0.121064 0.583717 F\n0.535232 0.419329 0.051871 F\n0.345355 0.834344 0.454790 F\n0.140132 0.714963 0.310964 F\n0.453980 0.869582 0.646908 F\n0.535232 0.115903 0.551871 F\n0.105708 0.199497 0.933118 F\n0.445862 0.351867 0.762648 F\n0.666667 0.333333 0.694011 F\n0.884097 0.419329 0.551871 F\n0.130418 0.546020 0.146908 F\n0.906005 0.554138 0.762648 F\n0.574831 0.714963 0.810964 F\n0.187442 0.080852 0.764225 F\n0.919148 0.106590 0.764225 F\n0.919148 0.812558 0.264225 F\n0.870224 0.556836 0.384769 F\n0.187442 0.106590 0.264225 F\n0.666667 0.333333 0.194011 F\n0.165656 0.511010 0.454790 F\n0.694668 0.883212 0.124304 F\n0.488990 0.654645 0.454790 F\n",
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"elements": [
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"Th",
"F"
],
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"density": 5.963022066724881,
"density_atomic": 0.07604012278306091,
"volume": 1157.283770451819,
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"formula_full": "Na6 Li8 Th12 F62",
"formula_reduced": "Na3Li4Th6F31",
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"energy": -587.47408867,
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},
{
"id": "mp-1221154",
"created_at": "2022-09-04T14:47:04.348851Z",
"structure_string": "Na8 Sr4 Si2 As8\n1.0\n8.312012 4.818422 0.000000\n-8.312012 4.818422 0.000000\n0.000000 0.105759 7.492996\nNa Sr Si As\n8 4 2 8\ndirect\n0.051774 0.525405 0.617243 Na\n0.525405 0.051774 0.117243 Na\n0.283412 0.138454 0.813217 Na\n0.863923 0.708845 0.787289 Na\n0.859261 0.153050 0.796635 Na\n0.708845 0.863923 0.287289 Na\n0.138454 0.283412 0.313217 Na\n0.153050 0.859261 0.296635 Na\n0.472174 0.951212 0.620340 Sr\n0.469103 0.520334 0.620510 Sr\n0.951212 0.472174 0.120340 Sr\n0.520334 0.469103 0.120510 Sr\n0.672513 0.337577 0.503103 Si\n0.337577 0.672513 0.003103 Si\n0.661701 0.335003 0.828004 As\n0.335003 0.661701 0.328004 As\n0.613957 0.804801 0.897703 As\n0.193729 0.389636 0.911234 As\n0.191921 0.802134 0.905712 As\n0.389636 0.193729 0.411234 As\n0.804801 0.613957 0.397703 As\n0.802134 0.191921 0.405712 As\n",
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"formula_full": "Na8 Sr4 Si2 As8",
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{
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"structure_string": "Hg2 I4\n1.0\n2.652179 -3.826427 0.000000\n2.652179 3.826427 0.000000\n0.000000 0.000000 14.381705\nHg I\n2 4\ndirect\n0.343746 0.656254 0.498641 Hg\n0.656254 0.343746 0.998641 Hg\n0.407753 0.592247 0.869925 I\n0.592247 0.407753 0.369925 I\n0.903275 0.096725 0.128134 I\n0.096725 0.903275 0.628134 I\n",
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{
"id": "mp-1279763",
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"structure_string": "Na8 Fe2 O10\n1.0\n3.759086 3.680432 2.322342\n3.736064 -3.657838 2.324763\n3.765106 3.681461 -6.971047\nNa Fe O\n8 2 10\ndirect\n0.494768 0.188995 0.900323 Na\n0.995357 0.202511 0.399739 Na\n0.482357 0.605690 0.694646 Na\n0.984259 0.594429 0.196057 Na\n0.506674 0.400130 0.304490 Na\n0.017765 0.393141 0.802534 Na\n0.495008 0.809689 0.105080 Na\n0.997747 0.814270 0.607366 Na\n0.513351 0.000051 0.490801 Fe\n0.973349 0.996785 0.028674 Fe\n0.314665 0.003348 0.692601 O\n0.725516 0.000498 0.277363 O\n0.181301 0.164410 0.120753 O\n0.687885 0.170204 0.617765 O\n0.203341 0.686843 0.969142 O\n0.717055 0.683047 0.458196 O\n0.789340 0.302659 0.035388 O\n0.292755 0.314902 0.527564 O\n0.811836 0.830272 0.887586 O\n0.315671 0.838125 0.383932 O\n",
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"formula_full": "Na8 Fe2 O10",
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{
"id": "mp-768381",
"created_at": "2022-09-04T14:47:04.358898Z",
"structure_string": "Co2 Te2 O8\n1.0\n-0.000242 1.611164 -2.638440\n3.380441 4.273588 2.610267\n6.995282 -4.538026 -2.770887\nCo Te O\n2 2 8\ndirect\n0.499999 0.249999 0.250000 Co\n0.499999 0.749998 0.750000 Co\n0.000000 0.999996 0.499997 Te\n0.000000 0.500001 0.000003 Te\n0.000053 0.468272 0.214993 O\n0.000053 0.968273 0.714995 O\n0.999945 0.031725 0.285007 O\n0.999945 0.531724 0.785004 O\n0.500057 0.219840 0.505476 O\n0.500057 0.719839 0.005477 O\n0.499943 0.280160 0.994524 O\n0.499943 0.780162 0.494523 O\n",
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"density": 5.077649157140572,
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"volume": 163.86172404165526,
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"formula_full": "Co2 Te2 O8",
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{
"id": "mp-759265",
"created_at": "2022-09-04T14:47:04.360969Z",
"structure_string": "Li2 Cu5 P4 O16\n1.0\n-5.164211 0.000000 0.000000\n1.473563 7.714813 0.000000\n-0.210975 -3.118256 -7.598144\nLi Cu P O\n2 5 4 16\ndirect\n0.597223 0.055201 0.295591 Li\n0.402777 0.944799 0.704409 Li\n0.107075 0.251402 0.781945 Cu\n0.000000 0.000000 0.000000 Cu\n0.641962 0.407571 0.670696 Cu\n0.358038 0.592429 0.329304 Cu\n0.892925 0.748598 0.218055 Cu\n0.121415 0.209424 0.423544 P\n0.631231 0.300081 0.030573 P\n0.368769 0.699919 0.969427 P\n0.878585 0.790576 0.576456 P\n0.342032 0.210952 0.965340 O\n0.780953 0.331590 0.873555 O\n0.079425 0.020023 0.255223 O\n0.846736 0.237945 0.496326 O\n0.298150 0.171711 0.555946 O\n0.754459 0.175435 0.100700 O\n0.348101 0.501522 0.818201 O\n0.276423 0.364047 0.374479 O\n0.723577 0.635953 0.625521 O\n0.651899 0.498478 0.181799 O\n0.245541 0.824565 0.899300 O\n0.701850 0.828289 0.444054 O\n0.153264 0.762055 0.503674 O\n0.920575 0.979977 0.744777 O\n0.219047 0.668410 0.126445 O\n0.657968 0.789048 0.034660 O\n",
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],
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"formula_full": "Li2 Cu5 P4 O16",
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{
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{
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}