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{
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{
"id": "mp-778703",
"created_at": "2022-09-04T14:43:09.857833Z",
"structure_string": "Li8 Mn6 F20\n1.0\n8.252733 5.633781 0.000000\n-8.252733 5.633781 0.000000\n0.000000 0.938147 5.129904\nLi Mn F\n8 6 20\ndirect\n0.880277 0.398095 0.675573 Li\n0.398095 0.880277 0.175573 Li\n0.290393 0.709607 0.750000 Li\n0.577053 0.422947 0.750000 Li\n0.422947 0.577053 0.250000 Li\n0.709607 0.290393 0.250000 Li\n0.601905 0.119723 0.824427 Li\n0.119723 0.601905 0.324427 Li\n0.624038 0.779137 0.656297 Mn\n0.779137 0.624038 0.156297 Mn\n0.114987 0.885013 0.750000 Mn\n0.885013 0.114987 0.250000 Mn\n0.220863 0.375962 0.843703 Mn\n0.375962 0.220863 0.343703 Mn\n0.541500 0.911913 0.842993 F\n0.911913 0.541500 0.342993 F\n0.198269 0.098337 0.617190 F\n0.098337 0.198269 0.117190 F\n0.735147 0.439233 0.951900 F\n0.439233 0.735147 0.451900 F\n0.596188 0.649334 0.010825 F\n0.649334 0.596188 0.510825 F\n0.229145 0.815740 0.995339 F\n0.815740 0.229145 0.495339 F\n0.184260 0.770855 0.504661 F\n0.770855 0.184260 0.004661 F\n0.350666 0.403812 0.489175 F\n0.403812 0.350666 0.989175 F\n0.560767 0.264853 0.548100 F\n0.264853 0.560767 0.048100 F\n0.901663 0.801731 0.882810 F\n0.801731 0.901663 0.382810 F\n0.088087 0.458500 0.657007 F\n0.458500 0.088087 0.157007 F\n",
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},
{
"id": "mp-1102875",
"created_at": "2022-09-04T14:43:09.858205Z",
"structure_string": "Er8 Al4\n1.0\n5.058754 0.000000 0.000000\n0.000000 6.535284 0.000000\n0.000000 0.000000 9.317319\nEr Al\n8 4\ndirect\n0.250000 0.811153 0.929697 Er\n0.250000 0.311153 0.570303 Er\n0.750000 0.188847 0.070303 Er\n0.750000 0.688847 0.429697 Er\n0.250000 0.969843 0.289606 Er\n0.250000 0.469844 0.210394 Er\n0.750000 0.030157 0.710394 Er\n0.750000 0.530157 0.789606 Er\n0.250000 0.287424 0.894920 Al\n0.250000 0.787424 0.605080 Al\n0.750000 0.712576 0.105080 Al\n0.750000 0.212576 0.394920 Al\n",
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],
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"density": 7.795030975102599,
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"formula_full": "Er8 Al4",
"formula_reduced": "Er2Al",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:04.621000Z",
"spacegroup": 62
},
{
"id": "mp-1080612",
"created_at": "2022-09-04T14:43:09.882218Z",
"structure_string": "Gd3 Al3 Cu3\n1.0\n3.525027 -6.105527 0.000000\n3.525027 6.105527 0.000000\n0.000000 0.000000 4.099541\nGd Al Cu\n3 3 3\ndirect\n0.414604 0.414604 0.000000 Gd\n0.585396 0.000000 0.000000 Gd\n0.000000 0.585396 0.000000 Gd\n0.767555 0.767555 0.500000 Al\n0.232445 0.000000 0.500000 Al\n0.000000 0.232445 0.500000 Al\n0.666667 0.333333 0.500000 Cu\n0.333333 0.666667 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 9,
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"elements": [
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],
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"density": 6.994899075665304,
"density_atomic": 0.051002524790849935,
"volume": 176.4618523672506,
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"formula_full": "Gd3 Al3 Cu3",
"formula_reduced": "GdAlCu",
"formula_anonymous": "ABC",
"energy": -69.66356184,
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"updated_at": "2021-11-28T01:36:01.745000Z",
"spacegroup": 189
},
{
"id": "mp-1445941",
"created_at": "2022-09-04T14:43:09.972773Z",
"structure_string": "Bi2 N2\n1.0\n5.436840 0.000000 0.000000\n0.000000 3.694279 0.000000\n0.000000 0.353635 3.725502\nBi N\n2 2\ndirect\n0.038805 0.725668 0.723804 Bi\n0.538805 0.274332 0.276196 Bi\n0.454325 0.682298 0.678224 N\n0.954325 0.317702 0.321776 N\n",
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"formula_full": "Bi2 N2",
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"spacegroup": 36
},
{
"id": "mp-29359",
"created_at": "2022-09-04T14:43:09.881764Z",
"structure_string": "Na8 Pd4 Cl16\n1.0\n9.695823 0.000000 0.000000\n0.000000 9.695823 0.000000\n0.000000 0.000000 7.684331\nNa Pd Cl\n8 4 16\ndirect\n0.806049 0.193951 0.250000 Na\n0.693951 0.693951 0.250000 Na\n0.306049 0.306049 0.250000 Na\n0.193951 0.806049 0.250000 Na\n0.693951 0.306049 0.750000 Na\n0.806049 0.806049 0.750000 Na\n0.193951 0.193951 0.750000 Na\n0.306049 0.693951 0.750000 Na\n0.000000 0.500000 0.064849 Pd\n0.000000 0.500000 0.564849 Pd\n0.500000 0.000000 0.935151 Pd\n0.500000 0.000000 0.435151 Pd\n0.945740 0.265118 0.568884 Cl\n0.765118 0.554260 0.568884 Cl\n0.234882 0.445740 0.568884 Cl\n0.234882 0.554260 0.068884 Cl\n0.054260 0.265118 0.068884 Cl\n0.765118 0.445740 0.068884 Cl\n0.265118 0.054260 0.431116 Cl\n0.945740 0.734882 0.068884 Cl\n0.445740 0.765118 0.431116 Cl\n0.554260 0.234882 0.431116 Cl\n0.554260 0.765118 0.931116 Cl\n0.734882 0.945740 0.431116 Cl\n0.445740 0.234882 0.931116 Cl\n0.734882 0.054260 0.931116 Cl\n0.265118 0.945740 0.931116 Cl\n0.054260 0.734882 0.568884 Cl\n",
"nsites": 28,
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"elements": [
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"Pd",
"Cl"
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"density": 2.7051625645350343,
"density_atomic": 0.03875989663550888,
"volume": 722.3961473196634,
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"formula_full": "Na8 Pd4 Cl16",
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"formula_anonymous": "AB2C4",
"energy": -105.56441267,
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"updated_at": "2021-11-28T01:36:03.960000Z",
"spacegroup": 130
},
{
"id": "mp-849483",
"created_at": "2022-09-04T14:43:09.910273Z",
"structure_string": "Fe10 O9 F11\n1.0\n4.762794 0.000000 0.000000\n0.106517 4.768942 0.000000\n0.011192 0.006156 15.518316\nFe O F\n10 9 11\ndirect\n0.986713 0.011500 0.999106 Fe\n0.040889 0.977422 0.793636 Fe\n0.988153 0.056585 0.599172 Fe\n0.049969 0.996880 0.402733 Fe\n0.032810 0.986612 0.205993 Fe\n0.489478 0.516965 0.906539 Fe\n0.482240 0.482547 0.500424 Fe\n0.479599 0.475538 0.702094 Fe\n0.456464 0.495492 0.298638 Fe\n0.490304 0.517251 0.092281 Fe\n0.189013 0.191945 0.699282 O\n0.191406 0.199283 0.500881 O\n0.197937 0.183004 0.301484 O\n0.297485 0.707570 0.999332 O\n0.316383 0.681982 0.799079 O\n0.315792 0.683714 0.402030 O\n0.309205 0.686963 0.198982 O\n0.684902 0.320281 0.999373 O\n0.677730 0.323201 0.600369 O\n0.200201 0.195837 0.891972 F\n0.194485 0.200451 0.107075 F\n0.290289 0.707851 0.600336 F\n0.708237 0.288193 0.799461 F\n0.702207 0.292922 0.399424 F\n0.703749 0.294589 0.201351 F\n0.806964 0.805234 0.889835 F\n0.804486 0.810604 0.500831 F\n0.800384 0.803799 0.696871 F\n0.802964 0.811408 0.108944 F\n0.809562 0.794375 0.302476 F\n",
"nsites": 30,
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"elements": [
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"O",
"F"
],
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"density": 4.2938075428039975,
"density_atomic": 0.08511239768867677,
"volume": 352.4750895837018,
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"formula_full": "Fe10 O9 F11",
"formula_reduced": "Fe10O9F11",
"formula_anonymous": "A9B10C11",
"energy": -212.80662819000003,
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"spacegroup": 1
},
{
"id": "mp-11498",
"created_at": "2022-09-04T14:43:09.921725Z",
"structure_string": "Mg1 Tl1\n1.0\n3.691257 0.000000 0.000000\n0.000000 3.691257 0.000000\n0.000000 0.000000 3.691257\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.5504040486949515,
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"volume": 50.29477280622854,
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"formula_full": "Mg1 Tl1",
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},
{
"id": "mp-1174425",
"created_at": "2022-09-04T14:43:09.928448Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.096767 -0.269741 0.731226\n-2.689637 6.430528 3.406015\n-0.197744 -0.149722 7.686165\nLi Mn Co O\n8 2 4 14\ndirect\n0.566865 0.071743 0.783946 Li\n0.004490 0.499660 0.501822 Li\n0.429270 0.938506 0.215917 Li\n0.865572 0.360878 0.932410 Li\n0.285767 0.785724 0.642859 Li\n0.705800 0.210487 0.353285 Li\n0.142123 0.632927 0.069782 Li\n0.285740 0.285754 0.142862 Li\n0.002630 0.000446 0.000193 Mn\n0.568826 0.570987 0.285497 Mn\n0.421667 0.427625 0.725874 Co\n0.857732 0.863325 0.427667 Co\n0.713734 0.708110 0.858022 Co\n0.149776 0.143830 0.559847 Co\n0.123871 0.899516 0.829624 O\n0.564074 0.339658 0.525410 O\n0.975449 0.755037 0.241745 O\n0.391516 0.164822 0.961590 O\n0.844899 0.613643 0.671379 O\n0.268735 0.034028 0.407956 O\n0.711265 0.483406 0.104111 O\n0.007354 0.231758 0.760303 O\n0.447606 0.671920 0.456081 O\n0.860142 0.087992 0.181598 O\n0.302591 0.537394 0.877779 O\n0.726532 0.957735 0.614360 O\n0.179925 0.406677 0.324139 O\n0.596048 0.816411 0.043941 O\n",
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{
"id": "mp-754612",
"created_at": "2022-09-04T14:43:09.952436Z",
"structure_string": "Mn6 O7 F5\n1.0\n9.134986 0.000000 0.000000\n0.000000 4.746118 0.000000\n0.000000 0.461280 4.742216\nMn O F\n6 7 5\ndirect\n0.175213 0.981400 0.989635 Mn\n0.824787 0.981400 0.989635 Mn\n0.500000 0.014344 0.968476 Mn\n0.325141 0.509377 0.523114 Mn\n0.000000 0.488178 0.495030 Mn\n0.674859 0.509377 0.523114 Mn\n0.656642 0.825151 0.817552 O\n0.343358 0.825151 0.817552 O\n0.166079 0.300061 0.699442 O\n0.833921 0.300061 0.699442 O\n0.500000 0.321018 0.696620 O\n0.168088 0.689819 0.309296 O\n0.831912 0.689819 0.309296 O\n0.000000 0.793668 0.801494 F\n0.500000 0.709925 0.305115 F\n0.000000 0.163058 0.171423 F\n0.650285 0.199098 0.191881 F\n0.349715 0.199098 0.191881 F\n",
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"formula_full": "Mn6 O7 F5",
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{
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{
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{
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}