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{
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"results": [
{
"id": "mp-1184465",
"created_at": "2022-09-04T14:40:40.685768Z",
"structure_string": "Co2 Pb6\n1.0\n8.589771 0.059744 -0.001324\n-4.242867 7.265750 0.004511\n0.001858 -0.001037 3.551676\nCo Pb\n2 6\ndirect\n0.334779 0.666748 0.749595 Co\n0.665037 0.333109 0.250409 Co\n0.192266 0.385903 0.249558 Pb\n0.607375 0.803315 0.249586 Pb\n0.193419 0.803921 0.249750 Pb\n0.807047 0.612489 0.750228 Pb\n0.394046 0.197505 0.750366 Pb\n0.806028 0.197005 0.750499 Pb\n",
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"spacegroup": 63
},
{
"id": "mp-542484",
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"structure_string": "Sr10 Cd6\n1.0\n-4.331728 4.331728 8.432090\n4.331728 -4.331728 8.432090\n4.331728 4.331728 -8.432090\nSr Cd\n10 6\ndirect\n0.978854 0.478854 0.163017 Sr\n0.478854 0.315837 0.500000 Sr\n0.684163 0.184163 0.163017 Sr\n0.000000 0.000000 0.000000 Sr\n0.184163 0.021146 0.500000 Sr\n0.815837 0.978854 0.500000 Sr\n0.315837 0.815837 0.836983 Sr\n0.521146 0.684163 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.021146 0.521146 0.836983 Sr\n0.122473 0.377527 0.500000 Cd\n0.377527 0.877527 0.255054 Cd\n0.622473 0.122473 0.744946 Cd\n0.750000 0.750000 0.000000 Cd\n0.877527 0.622473 0.500000 Cd\n0.250000 0.250000 0.000000 Cd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 4.068644836053746,
"density_atomic": 0.025281474580475877,
"volume": 632.8744768849962,
"volume_molar": 23.820369895080084,
"formula_full": "Sr10 Cd6",
"formula_reduced": "Sr5Cd3",
"formula_anonymous": "A3B5",
"energy": -26.35434544,
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"updated_at": "2021-11-28T01:35:04.363000Z",
"spacegroup": 140
},
{
"id": "mp-1187387",
"created_at": "2022-09-04T14:40:40.705803Z",
"structure_string": "Tb1 Pu1\n1.0\n1.776928 -3.077729 0.000000\n1.776928 3.077729 0.000000\n0.000000 0.000000 5.861421\nTb Pu\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 Pu\n",
"nsites": 2,
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],
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"density": 10.436156187894095,
"density_atomic": 0.031195853811909417,
"volume": 64.111083865782,
"volume_molar": 19.30429856579521,
"formula_full": "Tb1 Pu1",
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"spacegroup": 187
},
{
"id": "mp-1458",
"created_at": "2022-09-04T14:40:40.711627Z",
"structure_string": "Nb6 Ir2\n1.0\n5.183769 0.000000 0.000000\n0.000000 5.183769 0.000000\n0.000000 0.000000 5.183769\nNb Ir\n6 2\ndirect\n0.500000 0.250000 0.000000 Nb\n0.500000 0.750000 0.000000 Nb\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Ir"
],
"chemical_system": "Ir-Nb",
"density": 11.228046236687835,
"density_atomic": 0.057431884433833735,
"volume": 139.29544675164993,
"volume_molar": 10.48570984456901,
"formula_full": "Nb6 Ir2",
"formula_reduced": "Nb3Ir",
"formula_anonymous": "AB3",
"energy": -81.50600203,
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"updated_at": "2021-11-28T01:35:02.786000Z",
"spacegroup": 223
},
{
"id": "mp-2827",
"created_at": "2022-09-04T14:40:40.715505Z",
"structure_string": "Y1 Co5\n1.0\n2.463778 -4.267388 0.000000\n2.463778 4.267388 0.000000\n0.000000 0.000000 3.960738\nY Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Co-Y",
"density": 7.647614378048947,
"density_atomic": 0.07204128240450336,
"volume": 83.28558015265057,
"volume_molar": 8.35929144929207,
"formula_full": "Y1 Co5",
"formula_reduced": "YCo5",
"formula_anonymous": "AB5",
"energy": -42.63508071,
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"updated_at": "2021-11-28T01:35:06.633000Z",
"spacegroup": 191
},
{
"id": "mp-686175",
"created_at": "2022-09-04T14:40:40.716516Z",
"structure_string": "Si4 Bi60 O100\n1.0\n15.372633 -7.245835 0.000000\n15.372633 7.245835 0.000000\n11.957334 0.000000 12.076511\nSi Bi O\n4 60 100\ndirect\n0.799669 0.799669 0.799669 Si\n0.600152 0.600152 0.600152 Si\n0.400011 0.400011 0.400011 Si\n0.200278 0.200278 0.200278 Si\n0.911527 0.719621 0.575024 Bi\n0.970271 0.798954 0.282894 Bi\n0.815533 0.511984 0.677259 Bi\n0.893903 0.560646 0.395477 Bi\n0.921074 0.787056 0.099409 Bi\n0.811557 0.311029 0.616728 Bi\n0.995997 0.496532 0.159500 Bi\n0.712758 0.519267 0.377982 Bi\n0.872668 0.015951 0.712794 Bi\n0.916107 0.213965 0.406838 Bi\n0.757307 0.599265 0.091768 Bi\n0.978492 0.311511 0.116367 Bi\n0.616624 0.314202 0.474428 Bi\n0.816421 0.009539 0.509573 Bi\n0.691344 0.360024 0.200544 Bi\n0.719621 0.575024 0.911527 Bi\n0.905932 0.077741 0.210996 Bi\n0.605336 0.113970 0.417581 Bi\n0.798954 0.282894 0.970271 Bi\n0.509637 0.321707 0.177962 Bi\n0.677259 0.815533 0.511984 Bi\n0.718558 0.024174 0.202468 Bi\n0.560646 0.395477 0.893903 Bi\n0.787056 0.099409 0.921074 Bi\n0.418241 0.113672 0.273933 Bi\n0.616728 0.811557 0.311029 Bi\n0.496532 0.159500 0.995997 Bi\n0.519267 0.377982 0.712758 Bi\n0.712794 0.872668 0.015951 Bi\n0.406838 0.916107 0.213965 Bi\n0.599265 0.091768 0.757307 Bi\n0.311511 0.116367 0.978492 Bi\n0.474428 0.616624 0.314202 Bi\n0.509573 0.816421 0.009539 Bi\n0.360024 0.200544 0.691344 Bi\n0.575024 0.911527 0.719621 Bi\n0.210996 0.905932 0.077741 Bi\n0.417581 0.605336 0.113970 Bi\n0.282894 0.970271 0.798954 Bi\n0.321707 0.177962 0.509637 Bi\n0.511984 0.677259 0.815533 Bi\n0.202468 0.718558 0.024174 Bi\n0.395477 0.893903 0.560646 Bi\n0.099409 0.921074 0.787056 Bi\n0.273933 0.418241 0.113672 Bi\n0.311029 0.616728 0.811557 Bi\n0.159500 0.995997 0.496532 Bi\n0.377982 0.712758 0.519267 Bi\n0.015951 0.712794 0.872668 Bi\n0.213965 0.406838 0.916107 Bi\n0.091768 0.757307 0.599265 Bi\n0.116367 0.978492 0.311511 Bi\n0.314202 0.474428 0.616624 Bi\n0.009539 0.509573 0.816421 Bi\n0.200544 0.691344 0.360024 Bi\n0.077741 0.210996 0.905932 Bi\n0.113970 0.417581 0.605336 Bi\n0.177962 0.509637 0.321707 Bi\n0.024174 0.202468 0.718558 Bi\n0.113672 0.273933 0.418241 Bi\n0.945569 0.945569 0.945569 O\n0.876933 0.876933 0.876933 O\n0.874312 0.687153 0.875776 O\n0.875776 0.874312 0.687153 O\n0.762184 0.762184 0.762184 O\n0.915074 0.557049 0.676609 O\n0.985066 0.345230 0.723291 O\n0.849703 0.727274 0.467302 O\n0.679272 0.679272 0.679272 O\n0.850994 0.223548 0.850873 O\n0.850873 0.850994 0.223548 O\n0.945569 0.324097 0.584124 O\n0.674787 0.487262 0.675768 O\n0.675768 0.674787 0.487262 O\n0.871072 0.632515 0.251235 O\n0.876488 0.115073 0.754647 O\n0.837764 0.441274 0.442016 O\n0.562563 0.562563 0.562563 O\n0.925822 0.184386 0.542171 O\n0.926617 0.669801 0.045634 O\n0.852641 0.471121 0.233266 O\n0.713846 0.357473 0.477295 O\n0.785159 0.142320 0.524829 O\n0.647577 0.526656 0.267155 O\n0.479055 0.479055 0.479055 O\n0.833053 0.453517 0.069181 O\n0.954076 0.078183 0.315957 O\n0.641277 0.037857 0.640527 O\n0.640527 0.641277 0.037857 O\n0.740682 0.127032 0.383676 O\n0.866484 0.250009 0.127867 O\n0.474748 0.287340 0.475524 O\n0.475524 0.474748 0.287340 O\n0.669312 0.431417 0.055448 O\n0.676609 0.915074 0.557049 O\n0.631065 0.245932 0.245990 O\n0.362355 0.362355 0.362355 O\n0.723291 0.985066 0.345230 O\n0.727274 0.467302 0.849703 O\n0.837533 0.108655 0.108262 O\n0.650037 0.272147 0.033590 O\n0.515202 0.158321 0.277328 O\n0.584124 0.945569 0.324097 O\n0.446944 0.327348 0.068277 O\n0.279718 0.279718 0.279718 O\n0.632515 0.251235 0.871072 O\n0.754647 0.876488 0.115073 O\n0.442016 0.837764 0.441274 O\n0.441274 0.442016 0.837764 O\n0.542171 0.925822 0.184386 O\n0.669801 0.045634 0.926617 O\n0.276715 0.087184 0.273761 O\n0.273761 0.276715 0.087184 O\n0.471121 0.233266 0.852641 O\n0.477295 0.713846 0.357473 O\n0.438737 0.041981 0.040663 O\n0.162435 0.162435 0.162435 O\n0.524829 0.785159 0.142320 O\n0.526656 0.267155 0.647577 O\n0.687153 0.875776 0.874312 O\n0.453517 0.069181 0.833053 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O\n0.287340 0.475524 0.474748 O\n0.055448 0.669312 0.431417 O\n0.033590 0.650037 0.272147 O\n0.158321 0.277328 0.515202 O\n0.068277 0.446944 0.327348 O\n0.087184 0.273761 0.276715 O\n",
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"elements": [
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"chemical_system": "Bi-O-Si",
"density": 8.796086501160554,
"density_atomic": 0.06095869650208622,
"volume": 2690.3462411534233,
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"formula_full": "Si4 Bi60 O100",
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"energy": -1032.74971315,
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"updated_at": "2021-11-28T01:35:03.849000Z",
"spacegroup": 146
},
{
"id": "mp-720657",
"created_at": "2022-09-04T14:40:40.707792Z",
"structure_string": "Na7 Li4 Yb5 C12 O37\n1.0\n5.094863 8.943054 0.000000\n-5.094863 8.943054 0.000000\n0.000000 5.810796 8.560945\nNa Li Yb C O\n7 4 5 12 37\ndirect\n0.883128 0.363092 0.881259 Na\n0.363092 0.883128 0.881259 Na\n0.365207 0.365207 0.891957 Na\n0.887647 0.887647 0.363213 Na\n0.119083 0.119083 0.626399 Na\n0.124080 0.628866 0.122947 Na\n0.628866 0.124080 0.122947 Na\n0.999395 0.999395 0.998814 Li\n0.003661 0.499627 0.997756 Li\n0.499627 0.003661 0.997756 Li\n0.371143 0.371143 0.356586 Li\n0.637652 0.121776 0.614530 Yb\n0.121776 0.637652 0.614530 Yb\n0.882227 0.366272 0.367938 Yb\n0.366272 0.882227 0.367938 Yb\n0.621554 0.621554 0.127590 Yb\n0.774648 0.774648 0.786252 C\n0.482714 0.482714 0.064635 C\n0.769126 0.172415 0.772932 C\n0.483055 0.059515 0.484004 C\n0.172415 0.769126 0.772932 C\n0.210875 0.210875 0.867386 C\n0.471667 0.471667 0.477882 C\n0.772814 0.772814 0.162547 C\n0.864845 0.215119 0.212866 C\n0.215119 0.864845 0.212866 C\n0.059515 0.483055 0.484004 C\n0.209858 0.209858 0.213156 C\n0.630277 0.850475 0.859561 O\n0.850475 0.630277 0.859561 O\n0.843027 0.843027 0.641339 O\n0.845494 0.161816 0.847129 O\n0.161816 0.845494 0.847129 O\n0.631367 0.154252 0.844252 O\n0.154252 0.631367 0.844252 O\n0.826118 0.200471 0.622402 O\n0.200471 0.826118 0.622402 O\n0.138066 0.356280 0.866703 O\n0.356280 0.138066 0.866703 O\n0.633407 0.633407 0.466875 O\n0.846630 0.846630 0.154009 O\n0.138914 0.138914 0.868266 O\n0.401119 0.401119 0.617503 O\n0.841974 0.623525 0.166118 O\n0.623525 0.841974 0.166118 O\n0.396256 0.615010 0.402982 O\n0.615010 0.396256 0.402982 O\n0.864175 0.145194 0.355740 O\n0.145194 0.864175 0.355740 O\n0.061203 0.416100 0.625493 O\n0.416100 0.061203 0.625493 O\n0.361857 0.860096 0.145656 O\n0.860096 0.361857 0.145656 O\n0.619353 0.077924 0.407119 O\n0.077924 0.619353 0.407119 O\n0.411237 0.053533 0.415111 O\n0.053533 0.411237 0.415111 O\n0.142301 0.871749 0.137708 O\n0.871749 0.142301 0.137708 O\n0.629124 0.413227 0.060915 O\n0.413227 0.629124 0.060915 O\n0.404338 0.404338 0.086463 O\n0.139755 0.139755 0.354892 O\n0.133748 0.354549 0.143497 O\n0.354549 0.133748 0.143497 O\n",
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"formula_full": "Na7 Li4 Yb5 C12 O37",
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"spacegroup": 8
},
{
"id": "mp-976115",
"created_at": "2022-09-04T14:40:42.539403Z",
"structure_string": "K6 Rb2\n1.0\n4.799152 -8.312374 0.000000\n4.799152 8.312374 0.000000\n0.000000 0.000000 7.808540\nK Rb\n6 2\ndirect\n0.165220 0.330441 0.250000 K\n0.669559 0.834780 0.250000 K\n0.165220 0.834780 0.250000 K\n0.834780 0.669559 0.750000 K\n0.330441 0.165220 0.750000 K\n0.834780 0.165220 0.750000 K\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
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],
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