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{
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"results": [
{
"id": "mp-1173223",
"created_at": "2022-09-04T14:45:09.817916Z",
"structure_string": "Sr6 Y4 Fe2 Cu6 Bi2 O24\n1.0\n5.772165 0.000000 0.000000\n0.000000 10.615526 0.000000\n0.000000 5.303266 10.514042\nSr Y Fe Cu Bi O\n6 4 2 6 2 24\ndirect\n0.750000 0.481354 0.414047 Sr\n0.250000 0.518646 0.585953 Sr\n0.250000 0.412222 0.200654 Sr\n0.250000 0.076056 0.753392 Sr\n0.750000 0.923944 0.246608 Sr\n0.750000 0.587778 0.799346 Sr\n0.750000 0.705463 0.025339 Y\n0.250000 0.734064 0.269257 Y\n0.250000 0.294537 0.974661 Y\n0.750000 0.265936 0.730743 Y\n0.750000 0.308430 0.226756 Fe\n0.250000 0.691570 0.773244 Fe\n0.250000 0.003602 0.042152 Cu\n0.250000 0.762726 0.987713 Cu\n0.250000 0.276077 0.477342 Cu\n0.750000 0.723923 0.522658 Cu\n0.750000 0.237274 0.012287 Cu\n0.750000 0.996398 0.957848 Cu\n0.250000 0.905957 0.480001 Bi\n0.750000 0.094043 0.519999 Bi\n0.750000 0.961382 0.425517 O\n0.750000 0.503598 0.187306 O\n0.021209 0.291886 0.594671 O\n0.750000 0.033650 0.783405 O\n0.974188 0.302378 0.100129 O\n0.987190 0.174555 0.922174 O\n0.982701 0.245629 0.368169 O\n0.017299 0.754371 0.631831 O\n0.250000 0.499450 0.354984 O\n0.012810 0.825445 0.077826 O\n0.025812 0.697622 0.899871 O\n0.250000 0.966350 0.216595 O\n0.978791 0.708114 0.405329 O\n0.482701 0.754371 0.631831 O\n0.250000 0.496402 0.812694 O\n0.487190 0.825445 0.077826 O\n0.474188 0.697622 0.899871 O\n0.250000 0.038618 0.574483 O\n0.521209 0.708114 0.405329 O\n0.478791 0.291886 0.594671 O\n0.525812 0.302378 0.100129 O\n0.512810 0.174555 0.922174 O\n0.517299 0.245629 0.368169 O\n0.750000 0.500550 0.645016 O\n",
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"volume": 644.2433776335087,
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"formula_full": "Sr6 Y4 Fe2 Cu6 Bi2 O24",
"formula_reduced": "Sr3Y2FeCu3BiO12",
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"energy": -300.18352383,
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"updated_at": "2021-11-28T01:36:47.556000Z",
"spacegroup": 11
},
{
"id": "mp-1218551",
"created_at": "2022-09-04T14:41:49.301309Z",
"structure_string": "Sr3 Y2 Fe1 Cu3 Bi1 O12\n1.0\n-3.827897 3.827897 0.000000\n-3.827740 -3.827740 0.000000\n-1.913948 1.913948 10.013953\nSr Y Fe Cu Bi O\n3 2 1 3 1 12\ndirect\n0.178309 0.000000 0.643382 Sr\n0.819768 0.000000 0.360463 Sr\n0.320204 0.500000 0.359593 Sr\n0.503850 0.500000 0.992300 Y\n0.001280 0.000000 0.997440 Y\n0.403773 0.000000 0.192454 Fe\n0.586746 0.000000 0.826507 Cu\n0.086388 0.500000 0.827225 Cu\n0.918206 0.500000 0.163587 Cu\n0.688437 0.500000 0.623127 Bi\n0.319336 0.248287 0.857017 O\n0.823647 0.751713 0.857017 O\n0.823647 0.248287 0.857017 O\n0.319336 0.751713 0.857017 O\n0.178787 0.248096 0.147127 O\n0.674086 0.751904 0.147127 O\n0.674086 0.248096 0.147127 O\n0.178787 0.751904 0.147127 O\n0.199372 0.500000 0.601255 O\n0.699132 0.000000 0.601737 O\n0.308064 0.000000 0.383872 O\n0.794758 0.500000 0.410483 O\n",
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"elements": [
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],
"chemical_system": "Bi-Cu-Fe-O-Sr-Y",
"density": 6.157307244050902,
"density_atomic": 0.07496947377778283,
"volume": 293.4527733942784,
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"formula_full": "Sr3 Y2 Fe1 Cu3 Bi1 O12",
"formula_reduced": "Sr3Y2FeCu3BiO12",
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"energy": -154.03330461,
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"updated_at": "2021-11-28T01:35:40.614000Z",
"spacegroup": 38
},
{
"id": "mp-1218640",
"created_at": "2022-09-04T14:42:40.133940Z",
"structure_string": "Sr2 Y1 Cu2 Bi1 Pb1 O8\n1.0\n-1.887797 1.887797 15.572670\n1.887797 -1.887797 15.572670\n1.887797 1.887797 -15.572670\nSr Y Cu Bi Pb O\n2 1 2 1 1 8\ndirect\n0.616521 0.616521 0.000000 Sr\n0.388697 0.388697 0.000000 Sr\n0.501263 0.501263 0.000000 Y\n0.054801 0.054801 0.000000 Cu\n0.948873 0.948873 0.000000 Cu\n0.798722 0.798722 0.000000 Bi\n0.199787 0.199787 0.000000 Pb\n0.127841 0.127841 0.000000 O\n0.866548 0.866548 0.000000 O\n0.046177 0.546177 0.500000 O\n0.451226 0.951226 0.500000 O\n0.951226 0.451226 0.500000 O\n0.546177 0.046177 0.500000 O\n0.697561 0.697561 0.000000 O\n0.304580 0.304580 0.000000 O\n",
"nsites": 15,
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"elements": [
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"O"
],
"chemical_system": "Bi-Cu-O-Pb-Sr-Y",
"density": 6.9971156576520706,
"density_atomic": 0.06757057334210226,
"volume": 221.9901246664976,
"volume_molar": 8.912371853810644,
"formula_full": "Sr2 Y1 Cu2 Bi1 Pb1 O8",
"formula_reduced": "Sr2YCu2BiPbO8",
"formula_anonymous": "ABCD2E2F8",
"energy": -97.67906824,
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"updated_at": "2021-11-28T01:36:05.775000Z",
"spacegroup": 107
},
{
"id": "mp-1219942",
"created_at": "2022-09-04T14:40:06.928722Z",
"structure_string": "Sr8 Y4 Cu8 Bi4 Pb4 O32\n1.0\n31.794616 0.000000 0.000000\n0.000000 5.405665 0.000000\n0.000000 5.398541 5.448806\nSr Y Cu Bi Pb O\n8 4 8 4 4 32\ndirect\n0.638744 0.286720 0.245675 Sr\n0.361507 0.723338 0.245358 Sr\n0.861507 0.276662 0.254642 Sr\n0.138744 0.713280 0.254325 Sr\n0.361256 0.713280 0.754325 Sr\n0.638493 0.276662 0.754642 Sr\n0.138493 0.723338 0.745358 Sr\n0.861256 0.286720 0.745675 Sr\n0.750045 0.271109 0.250802 Y\n0.250045 0.728891 0.249198 Y\n0.249955 0.728891 0.749198 Y\n0.749955 0.271109 0.750802 Y\n0.698895 0.774876 0.251458 Cu\n0.303601 0.224344 0.249092 Cu\n0.803601 0.775656 0.250908 Cu\n0.198895 0.225124 0.248542 Cu\n0.301105 0.225124 0.748542 Cu\n0.696399 0.775656 0.750908 Cu\n0.196399 0.224344 0.749092 Cu\n0.801105 0.774876 0.751458 Cu\n0.445163 0.221707 0.719940 Bi\n0.945163 0.778293 0.780060 Bi\n0.554837 0.778293 0.280060 Bi\n0.054837 0.221707 0.219940 Bi\n0.554340 0.815992 0.733695 Pb\n0.054340 0.184008 0.766305 Pb\n0.445660 0.184008 0.266305 Pb\n0.945660 0.815992 0.233695 Pb\n0.704343 0.278571 0.479790 O\n0.295994 0.265263 0.480391 O\n0.795994 0.734737 0.019609 O\n0.204343 0.721429 0.020210 O\n0.295657 0.721429 0.520210 O\n0.704006 0.734737 0.519609 O\n0.204006 0.265263 0.980391 O\n0.795657 0.278571 0.979790 O\n0.702474 0.271468 0.024157 O\n0.297101 0.183426 0.017556 O\n0.797101 0.816574 0.482444 O\n0.202474 0.728532 0.475843 O\n0.297526 0.728532 0.975843 O\n0.702899 0.816574 0.982444 O\n0.202899 0.183426 0.517556 O\n0.797526 0.271468 0.524157 O\n0.620575 0.781521 0.229870 O\n0.376250 0.238091 0.237826 O\n0.876250 0.761909 0.262174 O\n0.120575 0.218479 0.270130 O\n0.379425 0.218479 0.770130 O\n0.623750 0.761909 0.762174 O\n0.123750 0.238091 0.737826 O\n0.879425 0.781521 0.729870 O\n0.561520 0.128790 0.320505 O\n0.439991 0.679953 0.338228 O\n0.939991 0.320047 0.161772 O\n0.061520 0.871210 0.179495 O\n0.438480 0.871210 0.679495 O\n0.560009 0.320047 0.661772 O\n0.060009 0.679953 0.838228 O\n0.938480 0.128790 0.820505 O\n",
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"elements": [
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],
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"density": 6.634506764715156,
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"volume": 936.4919697778159,
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"formula_full": "Sr8 Y4 Cu8 Bi4 Pb4 O32",
"formula_reduced": "Sr2YCu2BiPbO8",
"formula_anonymous": "ABCD2E2F8",
"energy": -396.02319482,
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"updated_at": "2021-11-28T01:34:47.281000Z",
"spacegroup": 14
},
{
"id": "mp-720205",
"created_at": "2022-09-04T14:47:09.572828Z",
"structure_string": "Sr6 Tm6 Al8 Si16 N34 O8\n1.0\n6.090356 0.000000 0.000000\n2.651842 5.845339 0.000000\n1.001440 1.127452 28.483632\nSr Tm Al Si N O\n6 6 8 16 34 8\ndirect\n0.392833 0.323283 0.622235 Sr\n0.354133 0.250844 0.962887 Sr\n0.227713 0.378762 0.297918 Sr\n0.697291 0.583983 0.450304 Sr\n0.670865 0.727528 0.125896 Sr\n0.685733 0.608701 0.790741 Sr\n0.223249 0.400715 0.080137 Tm\n0.377583 0.141215 0.415502 Tm\n0.446801 0.163999 0.743133 Tm\n0.765424 0.554335 0.925393 Tm\n0.733186 0.636306 0.569251 Tm\n0.624311 0.795607 0.244859 Tm\n0.680493 0.235980 0.199958 Al\n0.657665 0.139821 0.518798 Al\n0.884052 0.802913 0.689988 Al\n0.753755 0.870236 0.347539 Al\n0.882608 0.809200 0.012870 Al\n0.357338 0.840709 0.679022 Al\n0.374782 0.752111 0.352063 Al\n0.359834 0.817348 0.023027 Al\n0.965242 0.042664 0.758065 Si\n0.998238 0.957431 0.934334 Si\n0.669385 0.145837 0.851109 Si\n0.148592 0.159861 0.517860 Si\n0.239865 0.156987 0.186829 Si\n0.998309 0.991187 0.427056 Si\n0.141889 0.200718 0.850155 Si\n0.061430 0.018912 0.098808 Si\n0.220550 0.577509 0.527863 Si\n0.199910 0.663632 0.191574 Si\n0.250801 0.565128 0.871340 Si\n0.850681 0.392606 0.672905 Si\n0.768809 0.343160 0.349580 Si\n0.801138 0.387510 0.033878 Si\n0.987906 0.944308 0.605049 Si\n0.104691 0.913200 0.277673 Si\n0.478378 0.499859 0.027625 N\n0.067272 0.175157 0.909916 N\n0.667603 0.340370 0.986655 N\n0.941413 0.116749 0.818473 N\n0.121515 0.125922 0.583150 N\n0.890844 0.295335 0.610966 N\n0.961253 0.058057 0.488406 N\n0.212157 0.084835 0.245895 N\n0.828166 0.101384 0.307315 N\n0.862485 0.302508 0.091066 N\n0.764447 0.288799 0.724000 N\n0.962096 0.254649 0.394837 N\n0.060536 0.493163 0.684703 N\n0.742068 0.602961 0.323743 N\n0.999125 0.491852 0.011477 N\n0.040255 0.501401 0.847433 N\n0.036399 0.460377 0.508770 N\n0.126938 0.451964 0.165408 N\n0.193759 0.686001 0.922730 N\n0.110693 0.681542 0.579679 N\n0.024076 0.742087 0.242865 N\n0.995241 0.813732 0.072941 N\n0.105156 0.973092 0.161164 N\n0.814024 0.875908 0.751788 N\n0.781151 0.911096 0.409091 N\n0.553842 0.432054 0.866861 N\n0.523407 0.461342 0.524732 N\n0.514398 0.556541 0.200233 N\n0.440854 0.089550 0.826483 N\n0.441782 0.031347 0.497943 N\n0.551546 0.045690 0.180373 N\n0.329681 0.008469 0.070644 N\n0.260682 0.922382 0.738963 N\n0.292854 0.820106 0.414940 N\n0.712740 0.006050 0.578051 O\n0.745161 0.982903 0.901667 O\n0.657764 0.174232 0.266487 O\n0.559991 0.979868 0.672717 O\n0.434748 0.013798 0.341203 O\n0.591065 0.847563 0.985177 O\n0.568852 0.589751 0.651247 O\n0.476496 0.415311 0.364748 O\n",
"nsites": 78,
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],
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"density": 4.599570771357809,
"density_atomic": 0.07692134229785176,
"volume": 1014.0228663453571,
"volume_molar": 7.828959532038984,
"formula_full": "Sr6 Tm6 Al8 Si16 N34 O8",
"formula_reduced": "Sr3Tm3Al4Si8N17O4",
"formula_anonymous": "A3B3C4D4E8F17",
"energy": -589.6831657399999,
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"updated_at": "2021-11-28T01:37:55.778000Z",
"spacegroup": 1
},
{
"id": "mp-1217801",
"created_at": "2022-09-04T14:40:54.693021Z",
"structure_string": "Sr1 Ti1 Nb2 Bi2 Pb1 O12\n1.0\n-2.792581 -2.792581 0.000000\n-2.792581 2.792581 0.000000\n-2.792581 0.000000 -16.516090\nSr Ti Nb Bi Pb O\n1 1 2 2 1 12\ndirect\n0.940344 0.940344 0.119313 Sr\n0.499144 0.499144 0.001713 Ti\n0.628618 0.628618 0.742765 Nb\n0.372710 0.372710 0.254581 Nb\n0.212380 0.212380 0.575240 Bi\n0.786673 0.786673 0.426655 Bi\n0.057570 0.057570 0.884859 Pb\n0.559871 0.559871 0.880258 O\n0.439619 0.439619 0.120763 O\n0.249861 0.749861 0.500278 O\n0.749861 0.249861 0.500278 O\n0.121795 0.621795 0.756411 O\n0.380705 0.880705 0.238589 O\n0.880705 0.380705 0.238589 O\n0.621795 0.121795 0.756411 O\n0.686272 0.686272 0.627456 O\n0.315173 0.315173 0.369654 O\n0.998453 0.498453 0.003094 O\n0.498453 0.998453 0.003094 O\n",
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"elements": [
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"volume_molar": 8.164810238971738,
"formula_full": "Sr1 Ti1 Nb2 Bi2 Pb1 O12",
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"updated_at": "2021-11-28T01:35:23.453000Z",
"spacegroup": 107
},
{
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{
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{
"id": "mp-1233864",
"created_at": "2022-09-04T14:39:05.133198Z",
"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n0.287849 -6.109508 -0.093565\n-5.640918 0.287154 0.135921\n0.197459 -0.134365 -7.863947\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.552033 0.510318 0.754699 Sr\n0.882937 0.088550 0.209936 Sr\n0.088584 0.994397 0.751702 Pr\n0.430798 0.436176 0.254126 Pr\n0.204863 0.868022 0.351112 Mg\n0.975423 0.550473 0.991152 Fe\n0.581685 0.969298 0.523884 Fe\n0.994189 0.482453 0.507068 Ru\n0.495617 0.992949 0.996183 Ru\n0.976809 0.393736 0.754262 O\n0.486720 0.073091 0.748827 O\n0.040227 0.580537 0.248348 O\n0.505777 0.884896 0.255903 O\n0.179108 0.187710 0.446560 O\n0.693078 0.328181 0.040169 O\n0.797178 0.818414 0.946689 O\n0.306975 0.695208 0.539349 O\n0.828634 0.793679 0.546890 O\n0.273009 0.704386 0.946525 O\n0.229630 0.172241 0.047461 O\n0.691011 0.296716 0.455827 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Pr",
"Mg",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Mg-O-Pr-Ru-Sr",
"density": 6.068111656489792,
"density_atomic": 0.07773669075813215,
"volume": 270.1427060400453,
"volume_molar": 7.746844766954548,
"formula_full": "Sr2 Pr2 Mg1 Fe2 Ru2 O12",
"formula_reduced": "Sr2Pr2MgFe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -158.6714932,
"energy_per_atom": -7.55578539047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.9154932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0028105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.019000Z",
"spacegroup": 1
},
{
"id": "mp-1234791",
"created_at": "2022-09-04T14:39:10.722580Z",
"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n-0.001533 -5.680657 0.119308\n-5.468840 -0.001478 0.165393\n0.225757 0.181016 -9.194625\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.533311 0.511622 0.713720 Sr\n0.951374 0.046385 0.246105 Sr\n0.031084 0.953562 0.745183 Pr\n0.420937 0.534277 0.336332 Pr\n0.553051 0.549230 0.031023 Mg\n0.042840 0.469552 0.960905 Fe\n0.491498 0.020555 0.525048 Fe\n0.979628 0.494042 0.508343 Ru\n0.516626 0.015285 0.981244 Ru\n0.977045 0.384748 0.717857 O\n0.451189 0.099319 0.780287 O\n0.998251 0.588599 0.307597 O\n0.539658 0.845395 0.174231 O\n0.214483 0.216606 0.457602 O\n0.776458 0.268024 0.028360 O\n0.764221 0.758096 0.911866 O\n0.259514 0.728803 0.559757 O\n0.755389 0.781114 0.556771 O\n0.283770 0.720220 0.915015 O\n0.310365 0.298650 0.088397 O\n0.696927 0.275440 0.446029 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Pr",
"Mg",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Mg-O-Pr-Ru-Sr",
"density": 5.745413025244621,
"density_atomic": 0.07360269897860554,
"volume": 285.31562417438215,
"volume_molar": 8.181956427644705,
"formula_full": "Sr2 Pr2 Mg1 Fe2 Ru2 O12",
"formula_reduced": "Sr2Pr2MgFe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -158.6507494,
"energy_per_atom": -7.55479759047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.8947494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.031079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.881000Z",
"spacegroup": 1
}
]
}