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{
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"results": [
{
"id": "mp-1028379",
"created_at": "2022-09-04T14:39:05.895323Z",
"structure_string": "Mg14 Ni1 Mo1\n1.0\n6.259023 -0.000000 -0.000000\n-3.129512 5.420473 0.000000\n0.000000 -0.000000 9.730772\nMg Ni Mo\n14 1 1\ndirect\n0.164823 0.832411 0.125000 Mg\n0.171683 0.835841 0.625000 Mg\n0.667589 0.335177 0.125000 Mg\n0.664159 0.328317 0.625000 Mg\n0.667589 0.832411 0.125000 Mg\n0.664159 0.835841 0.625000 Mg\n0.323145 0.176854 0.371759 Mg\n0.323145 0.176854 0.878241 Mg\n0.323145 0.646292 0.371759 Mg\n0.323145 0.646292 0.878241 Mg\n0.853708 0.176854 0.371759 Mg\n0.853708 0.176854 0.878241 Mg\n0.833333 0.666667 0.378367 Mg\n0.833333 0.666667 0.871633 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 Mo\n",
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{
"id": "mp-1074347",
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"structure_string": "Mg16 Si12\n1.0\n6.825505 0.000000 0.000000\n-2.163278 6.964237 0.000000\n-1.078979 -0.647881 11.457124\nMg Si\n16 12\ndirect\n0.634164 0.875949 0.945166 Mg\n0.695424 0.485736 0.871764 Mg\n0.134868 0.872958 0.462783 Mg\n0.117634 0.581796 0.256005 Mg\n0.164542 0.867635 0.862849 Mg\n0.026909 0.231112 0.895592 Mg\n0.550882 0.848577 0.399384 Mg\n0.345541 0.267852 0.355709 Mg\n0.411268 0.806861 0.664442 Mg\n0.304121 0.233579 0.686988 Mg\n0.913344 0.936180 0.223697 Mg\n0.762463 0.251014 0.314254 Mg\n0.971891 0.479753 0.665407 Mg\n0.868148 0.910756 0.660584 Mg\n0.615448 0.510333 0.139882 Mg\n0.384968 0.958148 0.156271 Mg\n0.629640 0.173881 0.546917 Si\n0.247095 0.524902 0.494504 Si\n0.425015 0.195261 0.979305 Si\n0.962260 0.718435 0.043946 Si\n0.317661 0.553104 0.831054 Si\n0.658066 0.146704 0.760494 Si\n0.774676 0.614627 0.364110 Si\n0.197617 0.279509 0.125015 Si\n0.618712 0.541184 0.546966 Si\n0.001807 0.190896 0.494196 Si\n0.256170 0.596843 0.032003 Si\n0.790622 0.203254 0.084843 Si\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
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"energy": -87.88604733,
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"spacegroup": 1
},
{
"id": "mp-726237",
"created_at": "2022-09-04T14:39:05.772379Z",
"structure_string": "Rb8 Tl4 Cl20 O4\n1.0\n7.897387 0.000000 0.000000\n0.000000 10.488828 0.000000\n0.000000 0.000000 13.660420\nRb Tl Cl O\n8 4 20 4\ndirect\n0.683583 0.487079 0.361828 Rb\n0.816417 0.012921 0.861828 Rb\n0.316417 0.987079 0.638172 Rb\n0.183583 0.512921 0.138172 Rb\n0.316417 0.512921 0.638172 Rb\n0.183583 0.987079 0.138172 Rb\n0.683583 0.012921 0.361828 Rb\n0.816417 0.487079 0.861828 Rb\n0.733936 0.750000 0.110084 Tl\n0.766064 0.750000 0.610084 Tl\n0.266064 0.250000 0.889916 Tl\n0.233936 0.250000 0.389916 Tl\n0.977463 0.750000 0.986734 Cl\n0.522537 0.750000 0.486734 Cl\n0.022537 0.250000 0.013266 Cl\n0.477463 0.250000 0.513266 Cl\n0.911154 0.750000 0.264904 Cl\n0.588846 0.750000 0.764904 Cl\n0.088846 0.250000 0.735096 Cl\n0.411154 0.250000 0.235096 Cl\n0.422450 0.750000 0.217080 Cl\n0.077550 0.750000 0.717080 Cl\n0.577550 0.250000 0.782920 Cl\n0.922450 0.250000 0.282920 Cl\n0.693629 0.508317 0.101992 Cl\n0.806371 0.991683 0.601992 Cl\n0.306371 0.008317 0.898008 Cl\n0.193629 0.491683 0.398008 Cl\n0.306371 0.491683 0.898008 Cl\n0.193629 0.008317 0.398008 Cl\n0.693629 0.991683 0.101992 Cl\n0.806371 0.508317 0.601992 Cl\n0.464343 0.750000 0.043593 O\n0.035657 0.750000 0.543593 O\n0.535657 0.250000 0.956407 O\n0.964343 0.250000 0.456407 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Tl",
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"O"
],
"chemical_system": "Cl-O-Rb-Tl",
"density": 3.337557465596114,
"density_atomic": 0.031814716987676336,
"volume": 1131.5517913909107,
"volume_molar": 18.928789347183947,
"formula_full": "Rb8 Tl4 Cl20 O4",
"formula_reduced": "Rb2TlCl5O",
"formula_anonymous": "ABC2D5",
"energy": -110.82921113,
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},
{
"id": "mp-860799",
"created_at": "2022-09-04T14:39:05.773095Z",
"structure_string": "Li8 Mn2 P12 O36\n1.0\n3.930726 6.241563 0.000000\n-3.930726 6.241563 0.000000\n0.000000 1.012806 13.995371\nLi Mn P O\n8 2 12 36\ndirect\n0.960318 0.700306 0.924336 Li\n0.700306 0.960318 0.424336 Li\n0.783216 0.558363 0.547251 Li\n0.558363 0.783216 0.047251 Li\n0.441637 0.216784 0.952749 Li\n0.216784 0.441637 0.452749 Li\n0.299694 0.039682 0.575664 Li\n0.039682 0.299694 0.075664 Li\n0.374509 0.625491 0.750000 Mn\n0.625491 0.374509 0.250000 Mn\n0.962662 0.853089 0.613034 P\n0.853089 0.962662 0.113034 P\n0.630640 0.908276 0.750821 P\n0.908276 0.630640 0.250821 P\n0.770633 0.398570 0.890375 P\n0.398570 0.770633 0.390375 P\n0.601430 0.229367 0.609625 P\n0.229367 0.601430 0.109625 P\n0.091724 0.369360 0.749179 P\n0.369360 0.091724 0.249179 P\n0.146911 0.037338 0.886966 P\n0.037338 0.146911 0.386966 P\n0.864658 0.816100 0.713866 O\n0.913003 0.753415 0.534934 O\n0.816100 0.864658 0.213866 O\n0.753415 0.913003 0.034934 O\n0.629908 0.901567 0.856865 O\n0.901567 0.629908 0.356865 O\n0.812938 0.504168 0.968559 O\n0.522875 0.813398 0.698189 O\n0.859330 0.447453 0.788520 O\n0.504168 0.812938 0.468559 O\n0.813398 0.522875 0.198189 O\n0.447453 0.859330 0.288520 O\n0.904261 0.157463 0.902055 O\n0.188506 0.823770 0.869541 O\n0.559530 0.428884 0.874057 O\n0.157463 0.904261 0.402055 O\n0.571116 0.440470 0.625943 O\n0.823770 0.188506 0.369541 O\n0.176230 0.811494 0.630459 O\n0.428884 0.559530 0.374057 O\n0.842537 0.095739 0.597945 O\n0.440470 0.571116 0.125943 O\n0.811494 0.176230 0.130459 O\n0.095739 0.842537 0.097945 O\n0.552547 0.140670 0.711480 O\n0.186602 0.477125 0.801811 O\n0.495832 0.187062 0.531441 O\n0.140670 0.552547 0.211480 O\n0.477125 0.186602 0.301811 O\n0.187062 0.495832 0.031441 O\n0.098433 0.370092 0.643135 O\n0.370092 0.098433 0.143135 O\n0.246585 0.086997 0.965066 O\n0.183900 0.135342 0.786134 O\n0.086997 0.246585 0.465066 O\n0.135342 0.183900 0.286134 O\n",
"nsites": 58,
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"elements": [
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],
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"density": 2.69147351630889,
"density_atomic": 0.08445929509547519,
"volume": 686.7213364074985,
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"formula_full": "Li8 Mn2 P12 O36",
"formula_reduced": "Li4Mn(PO3)6",
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"updated_at": "2021-11-28T01:34:28.766000Z",
"spacegroup": 15
},
{
"id": "mp-1196484",
"created_at": "2022-09-04T14:39:05.799479Z",
"structure_string": "Pr4 Er11 S22\n1.0\n1.974079 19.588098 0.000000\n-1.974079 19.588098 0.000000\n0.000000 0.281057 11.359456\nPr Er S\n4 11 22\ndirect\n0.104152 0.104152 0.987422 Pr\n0.895848 0.895848 0.012578 Pr\n0.367168 0.367168 0.652180 Pr\n0.632832 0.632832 0.347820 Pr\n0.798000 0.798000 0.942213 Er\n0.202000 0.202000 0.057787 Er\n0.461808 0.461808 0.728522 Er\n0.538192 0.538192 0.271478 Er\n0.657674 0.657674 0.698061 Er\n0.342326 0.342326 0.301939 Er\n0.264108 0.264108 0.647981 Er\n0.735892 0.735892 0.352019 Er\n0.069340 0.069340 0.640102 Er\n0.930660 0.930660 0.359898 Er\n0.000000 0.000000 0.000000 Er\n0.087254 0.087254 0.247533 S\n0.912746 0.912746 0.752467 S\n0.188827 0.188827 0.307757 S\n0.811173 0.811173 0.692243 S\n0.279998 0.279998 0.409944 S\n0.720002 0.720002 0.590056 S\n0.445784 0.445784 0.504547 S\n0.554216 0.554216 0.495453 S\n0.134367 0.134367 0.546643 S\n0.865633 0.865633 0.453357 S\n0.592901 0.592901 0.787553 S\n0.407099 0.407099 0.212447 S\n0.453232 0.453232 0.968522 S\n0.546768 0.546768 0.031478 S\n0.350584 0.350584 0.908164 S\n0.649416 0.649416 0.091836 S\n0.168373 0.168373 0.848389 S\n0.831627 0.831627 0.151611 S\n0.007774 0.007774 0.761271 S\n0.992226 0.992226 0.238729 S\n0.255250 0.255250 0.880764 S\n0.744750 0.744750 0.119236 S\n",
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},
{
"id": "mp-1218493",
"created_at": "2022-09-04T14:39:05.807965Z",
"structure_string": "Sr12 Ti6 Fe2 O28\n1.0\n3.937413 -0.000017 -0.000001\n-0.000017 3.937412 0.000000\n-0.000013 -0.000004 40.874563\nSr Ti Fe O\n12 6 2 28\ndirect\n0.500000 0.500000 0.092559 Sr\n0.500000 0.499999 0.592668 Sr\n0.000001 0.000005 0.341788 Sr\n0.000001 0.000001 0.841872 Sr\n0.000000 0.999999 0.158949 Sr\n0.000001 0.999999 0.659036 Sr\n0.500001 0.499999 0.407792 Sr\n0.499999 0.500002 0.907909 Sr\n0.500000 0.500004 0.000156 Sr\n0.500001 0.500003 0.500164 Sr\n0.000000 0.000001 0.248682 Sr\n0.999999 0.000001 0.748537 Sr\n0.000002 0.000001 0.451083 Ti\n0.000001 0.000001 0.951189 Ti\n0.000000 0.000001 0.049184 Ti\n0.000000 0.000001 0.549204 Ti\n0.500000 0.500001 0.298610 Ti\n0.499999 0.500001 0.798628 Ti\n0.499999 0.499983 0.701294 Fe\n0.500002 0.500000 0.201267 Fe\n0.500001 0.500000 0.153321 O\n0.500001 0.500001 0.653349 O\n0.999999 0.000000 0.402799 O\n0.999997 0.999996 0.902894 O\n0.000001 0.999999 0.097167 O\n0.000001 0.999999 0.597177 O\n0.500001 0.499998 0.346584 O\n0.500000 0.499999 0.846641 O\n0.999999 0.000000 0.500033 O\n0.999998 0.999998 0.000009 O\n0.499999 0.500000 0.249482 O\n0.500000 0.499998 0.749493 O\n0.000000 0.500001 0.201976 O\n0.000001 0.500000 0.701954 O\n0.500000 0.000000 0.201977 O\n0.499999 0.000000 0.701954 O\n0.499999 0.000002 0.451732 O\n0.499999 0.000001 0.951785 O\n0.999999 0.500002 0.451732 O\n0.000000 0.499999 0.951785 O\n0.499999 0.000001 0.048323 O\n0.500000 0.000001 0.548352 O\n0.000000 0.500001 0.048323 O\n0.999999 0.500000 0.548352 O\n0.000000 0.500002 0.298056 O\n0.000001 0.500001 0.798060 O\n0.500001 0.000001 0.298057 O\n0.500000 0.000000 0.798060 O\n",
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{
"id": "mp-1219684",
"created_at": "2022-09-04T14:39:05.814005Z",
"structure_string": "Pr2 Co2 Ni2\n1.0\n-3.660127 -0.023629 -3.630497\n3.660127 -3.630497 -0.023629\n-3.660127 -3.630497 -0.023629\nPr Co Ni\n2 2 2\ndirect\n0.500000 0.749508 0.750492 Pr\n0.000000 0.000492 0.999508 Pr\n0.750000 0.375000 0.875000 Co\n0.250000 0.375000 0.375000 Co\n0.250000 0.875000 0.375000 Ni\n0.750000 0.375000 0.375000 Ni\n",
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{
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