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{
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{
"id": "mp-1208597",
"created_at": "2022-09-04T14:40:17.577635Z",
"structure_string": "Sr2 Yb2 Al6 Si2 N8 O6\n1.0\n3.069932 -5.317279 0.000000\n3.069932 5.317279 0.000000\n0.000000 0.000000 10.174349\nSr Yb Al Si N O\n2 2 6 2 8 6\ndirect\n0.666667 0.333333 0.557382 Sr\n0.333333 0.666667 0.057382 Sr\n0.666667 0.333333 0.925355 Yb\n0.333333 0.666667 0.425355 Yb\n0.165410 0.330820 0.740741 Al\n0.165410 0.834590 0.740741 Al\n0.834590 0.669180 0.240741 Al\n0.669180 0.834590 0.740741 Al\n0.834590 0.165410 0.240741 Al\n0.330820 0.165410 0.240741 Al\n0.000000 0.000000 0.000537 Si\n0.000000 0.000000 0.500537 Si\n0.150983 0.301965 0.559717 N\n0.150983 0.849017 0.559717 N\n0.849017 0.698035 0.059717 N\n0.698035 0.849017 0.559717 N\n0.849017 0.150983 0.059717 N\n0.301965 0.150983 0.059717 N\n0.000000 0.000000 0.821639 N\n0.000000 0.000000 0.321639 N\n0.488770 0.977540 0.791051 O\n0.488770 0.511230 0.791051 O\n0.511230 0.022460 0.291051 O\n0.022460 0.511230 0.791051 O\n0.511230 0.488770 0.291051 O\n0.977540 0.488770 0.291051 O\n",
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"formula_full": "Sr2 Yb2 Al6 Si2 N8 O6",
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{
"id": "mp-1200672",
"created_at": "2022-09-04T14:40:17.581943Z",
"structure_string": "Sm20 Pb16\n1.0\n8.377978 0.000000 0.000000\n0.000000 8.486563 0.000000\n0.000000 0.000000 16.060571\nSm Pb\n20 16\ndirect\n0.622390 0.159795 0.619103 Sm\n0.122390 0.340205 0.880897 Sm\n0.377610 0.840205 0.119103 Sm\n0.877610 0.659795 0.380897 Sm\n0.377610 0.840205 0.380897 Sm\n0.877610 0.659795 0.119103 Sm\n0.622390 0.159795 0.880897 Sm\n0.122390 0.340205 0.619103 Sm\n0.468538 0.678509 0.600956 Sm\n0.968538 0.821491 0.899044 Sm\n0.531462 0.321491 0.100956 Sm\n0.031462 0.178509 0.399044 Sm\n0.531462 0.321491 0.399044 Sm\n0.031462 0.178509 0.100956 Sm\n0.468538 0.678509 0.899044 Sm\n0.968538 0.821491 0.600956 Sm\n0.791708 0.496893 0.750000 Sm\n0.291708 0.003107 0.750000 Sm\n0.208292 0.503107 0.250000 Sm\n0.708292 0.996893 0.250000 Sm\n0.719430 0.968061 0.457018 Pb\n0.219430 0.531939 0.042982 Pb\n0.280570 0.031939 0.957018 Pb\n0.780570 0.468061 0.542982 Pb\n0.280570 0.031939 0.542982 Pb\n0.780570 0.468061 0.957018 Pb\n0.719430 0.968061 0.042982 Pb\n0.219430 0.531939 0.457018 Pb\n0.426750 0.373515 0.750000 Pb\n0.926750 0.126485 0.750000 Pb\n0.573250 0.626485 0.250000 Pb\n0.073250 0.873515 0.250000 Pb\n0.659494 0.851647 0.750000 Pb\n0.159494 0.648353 0.750000 Pb\n0.340506 0.148353 0.250000 Pb\n0.840506 0.351647 0.250000 Pb\n",
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"elements": [
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"formula_full": "Sm20 Pb16",
"formula_reduced": "Sm5Pb4",
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"energy": -174.1847062,
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},
{
"id": "mp-1189701",
"created_at": "2022-09-04T14:40:17.585899Z",
"structure_string": "Sr4 Hg12\n1.0\n0.000000 9.931218 0.000000\n0.000000 0.000000 6.867008\n6.790568 0.000000 0.000000\nSr Hg\n4 12\ndirect\n0.250000 0.033095 0.008891 Sr\n0.250000 0.466905 0.508891 Sr\n0.750000 0.966905 0.991109 Sr\n0.750000 0.533095 0.491109 Sr\n0.990164 0.230450 0.732366 Hg\n0.509836 0.269550 0.232366 Hg\n0.490164 0.769550 0.267634 Hg\n0.009836 0.730450 0.767634 Hg\n0.009836 0.769550 0.267634 Hg\n0.490164 0.730450 0.767634 Hg\n0.509836 0.230450 0.732366 Hg\n0.990164 0.269550 0.232366 Hg\n0.250000 0.971576 0.512990 Hg\n0.250000 0.528424 0.012990 Hg\n0.750000 0.028424 0.487010 Hg\n0.750000 0.471576 0.987010 Hg\n",
"nsites": 16,
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"elements": [
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"density": 9.887759559450572,
"density_atomic": 0.03454966268070299,
"volume": 463.1014822884646,
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"formula_full": "Sr4 Hg12",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:34:51.406000Z",
"spacegroup": 62
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{
"id": "mp-1226290",
"created_at": "2022-09-04T14:40:17.591699Z",
"structure_string": "Cr1 Fe3 As4\n1.0\n0.000000 -3.454286 0.000000\n-5.383824 0.000000 0.003426\n0.004141 0.000000 -6.037625\nCr Fe As\n1 3 4\ndirect\n0.750000 0.497051 0.702120 Cr\n0.750000 0.003511 0.792527 Fe\n0.250000 0.502652 0.306195 Fe\n0.250000 0.003439 0.202282 Fe\n0.750000 0.292066 0.087093 As\n0.750000 0.806114 0.411099 As\n0.250000 0.707438 0.923493 As\n0.250000 0.187728 0.575190 As\n",
"nsites": 8,
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"density": 7.678622673141639,
"density_atomic": 0.0712483636958563,
"volume": 112.28328041539666,
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"formula_full": "Cr1 Fe3 As4",
"formula_reduced": "CrFe3As4",
"formula_anonymous": "AB3C4",
"energy": -55.25711779,
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"spacegroup": 6
},
{
"id": "mp-1046180",
"created_at": "2022-09-04T14:40:17.593358Z",
"structure_string": "Sr2 Ti2 P4 O16\n1.0\n5.495681 0.000000 0.000000\n-1.071503 7.150254 0.000000\n-1.874768 -3.236909 8.430569\nSr Ti P O\n2 2 4 16\ndirect\n0.238806 0.769434 0.042772 Sr\n0.761194 0.230566 0.957228 Sr\n0.660279 0.836758 0.559448 Ti\n0.339721 0.163242 0.440552 Ti\n0.419473 0.436438 0.230312 P\n0.580527 0.563562 0.769688 P\n0.843988 0.034010 0.304753 P\n0.156012 0.965990 0.695247 P\n0.825245 0.553358 0.875510 O\n0.649111 0.461457 0.168341 O\n0.620196 0.766149 0.733892 O\n0.944459 0.090890 0.694464 O\n0.350889 0.538543 0.831659 O\n0.983583 0.758425 0.573084 O\n0.016417 0.241575 0.426916 O\n0.279060 0.983498 0.863278 O\n0.379804 0.233851 0.266108 O\n0.720940 0.016502 0.136722 O\n0.174755 0.446642 0.124490 O\n0.472138 0.609035 0.399392 O\n0.527862 0.390965 0.600608 O\n0.622756 0.975578 0.381978 O\n0.055541 0.909110 0.305536 O\n0.377244 0.024422 0.618022 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.262394214447704,
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"volume": 331.283551044636,
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"formula_full": "Sr2 Ti2 P4 O16",
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"spacegroup": 2
},
{
"id": "mp-1034698",
"created_at": "2022-09-04T14:40:17.593891Z",
"structure_string": "Sr1 Mg14 Si1 O16\n1.0\n8.746790 0.000000 0.000000\n0.000000 8.654530 0.000000\n0.000000 0.000000 4.434093\nSr Mg Si O\n1 14 1 16\ndirect\n0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.241583 0.500000 Mg\n0.000000 0.758417 0.500000 Mg\n0.500000 0.248454 0.500000 Mg\n0.500000 0.751546 0.500000 Mg\n0.253645 0.000000 0.500000 Mg\n0.260141 0.500000 0.500000 Mg\n0.746355 0.000000 0.500000 Mg\n0.739859 0.500000 0.500000 Mg\n0.258863 0.244507 -0.000000 Mg\n0.258863 0.755493 -0.000000 Mg\n0.741137 0.244507 0.000000 Mg\n0.741137 0.755493 0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.267638 0.000000 0.000000 O\n0.271194 0.500000 0.000000 O\n0.732362 0.000000 -0.000000 O\n0.728806 0.500000 -0.000000 O\n0.249368 0.249836 0.500000 O\n0.249368 0.750164 0.500000 O\n0.750632 0.249836 0.500000 O\n0.750632 0.750164 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.231478 0.000000 O\n0.000000 0.768522 -0.000000 O\n0.500000 0.248257 -0.000000 O\n0.500000 0.751743 -0.000000 O\n",
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],
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"volume": 335.65798657802645,
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"formula_full": "Sr1 Mg14 Si1 O16",
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{
"id": "mp-1191108",
"created_at": "2022-09-04T14:40:17.595262Z",
"structure_string": "Sm6 Rh18\n1.0\n2.658886 -4.605326 0.000000\n2.658886 4.605326 0.000000\n0.000000 0.000000 17.640351\nSm Rh\n6 18\ndirect\n0.333333 0.666667 0.957902 Sm\n0.666667 0.333333 0.042098 Sm\n0.666667 0.333333 0.457902 Sm\n0.333333 0.666667 0.542098 Sm\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.166931 0.833069 0.373003 Rh\n0.166931 0.333862 0.373003 Rh\n0.666138 0.833069 0.373003 Rh\n0.833069 0.166931 0.626997 Rh\n0.833069 0.666138 0.626997 Rh\n0.333862 0.166931 0.626997 Rh\n0.833069 0.166931 0.873003 Rh\n0.833069 0.666138 0.873003 Rh\n0.333862 0.166931 0.873003 Rh\n0.166931 0.833069 0.126997 Rh\n0.166931 0.333862 0.126997 Rh\n0.666138 0.833069 0.126997 Rh\n0.333333 0.666667 0.250000 Rh\n0.666667 0.333333 0.750000 Rh\n0.000000 0.000000 0.250000 Rh\n0.000000 0.000000 0.750000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "In1 Ag3\n1.0\n4.247110 0.000000 0.000000\n0.000000 4.247110 0.000000\n0.000000 0.000000 4.247110\nIn Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n",
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{
"id": "mp-765735",
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"structure_string": "V6 O12 F6\n1.0\n5.053508 0.000000 0.000000\n2.368246 4.473333 0.000000\n0.423470 0.326426 12.985841\nV O F\n6 12 6\ndirect\n0.738860 0.625698 0.164378 V\n0.622300 0.703435 0.665406 V\n0.000000 0.000000 0.500000 V\n0.377700 0.296565 0.334594 V\n0.000000 0.000000 0.000000 V\n0.261140 0.374302 0.835622 V\n0.661063 0.075311 0.417842 O\n0.338937 0.924689 0.582158 O\n0.070057 0.674233 0.915627 O\n0.918488 0.755728 0.581408 O\n0.568943 0.417076 0.250887 O\n0.254029 0.079173 0.919054 O\n0.081512 0.244272 0.418592 O\n0.745971 0.920827 0.080946 O\n0.431057 0.582924 0.749113 O\n0.929943 0.325767 0.084373 O\n0.003749 0.416429 0.750478 O\n0.996251 0.583571 0.249522 O\n0.262484 0.666786 0.415907 F\n0.323183 0.739716 0.083857 F\n0.599209 0.006322 0.749502 F\n0.400791 0.993678 0.250498 F\n0.676817 0.260284 0.916143 F\n0.737516 0.333214 0.584093 F\n",
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{
"id": "mp-779274",
"created_at": "2022-09-04T14:40:17.601932Z",
"structure_string": "Mn8 O14 F2\n1.0\n8.924013 0.000000 0.000000\n0.000000 5.476656 0.003590\n0.000000 0.003392 4.961932\nMn O F\n8 14 2\ndirect\n0.001933 0.168615 0.253402 Mn\n0.002200 0.856206 0.739979 Mn\n0.247800 0.356206 0.739979 Mn\n0.248067 0.668615 0.253402 Mn\n0.499357 0.853236 0.752390 Mn\n0.509795 0.128828 0.254562 Mn\n0.750643 0.353236 0.752390 Mn\n0.740205 0.628828 0.254562 Mn\n0.113582 0.116352 0.918725 O\n0.111429 0.898110 0.415091 O\n0.138571 0.398110 0.415091 O\n0.136418 0.616353 0.918725 O\n0.367758 0.615153 0.578096 O\n0.386835 0.109274 0.575165 O\n0.387737 0.890972 0.078448 O\n0.620647 0.105218 0.924022 O\n0.619563 0.881380 0.427905 O\n0.630437 0.381380 0.427905 O\n0.629353 0.605218 0.924022 O\n0.862263 0.390972 0.078448 O\n0.863165 0.609274 0.575165 O\n0.882242 0.115153 0.578096 O\n0.375411 0.376653 0.082217 F\n0.874589 0.876653 0.082217 F\n",
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},
{
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],
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{
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]
}