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{
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"results": [
{
"id": "mp-1233856",
"created_at": "2022-09-04T14:47:34.909497Z",
"structure_string": "Sr4 Tb2 Mg1 Ru2 O12\n1.0\n5.745214 0.009765 -0.064760\n0.011240 6.070760 0.235759\n-0.051969 0.315009 8.612471\nSr Tb Mg Ru O\n4 2 1 2 12\ndirect\n0.003214 0.632101 0.831067 Sr\n0.497620 0.081065 0.782139 Sr\n0.482442 0.011197 0.238437 Sr\n0.017022 0.456768 0.240798 Sr\n0.501682 0.525291 0.016321 Tb\n0.999503 0.919235 0.476608 Tb\n0.026606 0.321232 0.615770 Mg\n0.991787 0.035245 0.001308 Ru\n0.503993 0.451275 0.488729 Ru\n0.784843 0.303595 0.948307 O\n0.825486 0.601414 0.553327 O\n0.216393 0.772506 0.046540 O\n0.235301 0.236525 0.445938 O\n0.719201 0.826867 0.975608 O\n0.711502 0.179738 0.531873 O\n0.252372 0.246712 0.032101 O\n0.309440 0.713484 0.427197 O\n0.347713 0.460386 0.708483 O\n0.060427 0.026168 0.750977 O\n0.589364 0.455125 0.259173 O\n0.924090 0.014904 0.230864 O\n",
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"elements": [
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],
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"density_atomic": 0.07001498963015652,
"volume": 299.9357724814256,
"volume_molar": 8.601216384964188,
"formula_full": "Sr4 Tb2 Mg1 Ru2 O12",
"formula_reduced": "Sr4Tb2Mg(RuO6)2",
"formula_anonymous": "AB2C2D4E12",
"energy": -152.53017794,
"energy_per_atom": -7.263341806666666,
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"updated_at": "2021-11-28T01:38:16.906000Z",
"spacegroup": 1
},
{
"id": "mp-1233544",
"created_at": "2022-09-04T14:45:59.572171Z",
"structure_string": "Sr4 Tb2 Mg1 Ru2 O12\n1.0\n6.166040 -0.158800 -0.073359\n-0.158968 5.877841 0.020030\n-0.066318 0.029384 8.316409\nSr Tb Mg Ru O\n4 2 1 2 12\ndirect\n0.000635 0.497539 0.758437 Sr\n0.480146 0.953293 0.731876 Sr\n0.586310 0.872611 0.259174 Sr\n0.041740 0.601799 0.245615 Sr\n0.522355 0.454118 0.985066 Tb\n0.977096 0.012790 0.519481 Tb\n0.248079 0.181622 0.236491 Mg\n0.990851 0.016029 0.997058 Ru\n0.485785 0.485498 0.500740 Ru\n0.729025 0.182909 0.934610 O\n0.760813 0.694151 0.512436 O\n0.277757 0.890510 0.078658 O\n0.203595 0.308028 0.465318 O\n0.797347 0.717140 0.996742 O\n0.678459 0.220633 0.542114 O\n0.162798 0.330950 0.024493 O\n0.294078 0.783971 0.462392 O\n0.423428 0.523069 0.736394 O\n0.073626 0.973952 0.770581 O\n0.504897 0.432584 0.254814 O\n0.948681 0.033470 0.245324 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Ru-Sr-Tb",
"density": 5.992035784083983,
"density_atomic": 0.06972805540524946,
"volume": 301.1700222808597,
"volume_molar": 8.63661079460797,
"formula_full": "Sr4 Tb2 Mg1 Ru2 O12",
"formula_reduced": "Sr4Tb2Mg(RuO6)2",
"formula_anonymous": "AB2C2D4E12",
"energy": -152.27316123,
"energy_per_atom": -7.251102915714286,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.166000Z",
"spacegroup": 1
},
{
"id": "mp-1233668",
"created_at": "2022-09-04T14:41:24.369593Z",
"structure_string": "Sr4 Tb2 Mg1 Ru2 O12\n1.0\n5.814850 -0.103290 -0.122176\n-0.106271 6.134016 0.138888\n-0.141762 0.194483 8.365800\nSr Tb Mg Ru O\n4 2 1 2 12\ndirect\n0.987295 0.445310 0.735019 Sr\n0.507546 0.924219 0.742909 Sr\n0.451950 0.120757 0.305074 Sr\n0.065320 0.563495 0.243527 Sr\n0.516868 0.424358 0.976405 Tb\n0.984105 0.001612 0.504438 Tb\n0.635161 0.805109 0.130557 Mg\n0.022054 0.991214 0.996889 Ru\n0.495336 0.516648 0.503162 Ru\n0.723094 0.147769 0.954639 O\n0.765996 0.707571 0.550185 O\n0.312904 0.821569 0.052871 O\n0.207792 0.316393 0.465336 O\n0.814898 0.692935 0.959642 O\n0.690197 0.234915 0.543535 O\n0.190896 0.269907 0.053109 O\n0.297282 0.791843 0.465030 O\n0.414463 0.512584 0.733895 O\n0.087730 0.021839 0.768480 O\n0.576389 0.514033 0.251348 O\n0.898558 0.957170 0.235824 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Ru-Sr-Tb",
"density": 6.054883411491143,
"density_atomic": 0.07045939997725202,
"volume": 298.04398003360654,
"volume_molar": 8.546965716347659,
"formula_full": "Sr4 Tb2 Mg1 Ru2 O12",
"formula_reduced": "Sr4Tb2Mg(RuO6)2",
"formula_anonymous": "AB2C2D4E12",
"energy": -152.84724165,
"energy_per_atom": -7.278440078571428,
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9923514,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.199000Z",
"spacegroup": 1
},
{
"id": "mp-6068",
"created_at": "2022-09-04T14:43:15.794375Z",
"structure_string": "Sr4 Tb2 Ru2 O12\n1.0\n5.897081 0.000000 0.000000\n0.000000 5.822911 0.000000\n0.000000 5.761819 8.266779\nSr Tb Ru O\n4 2 2 12\ndirect\n0.461667 0.759749 0.249394 Sr\n0.961667 0.240251 0.250606 Sr\n0.038333 0.759749 0.749394 Sr\n0.538333 0.240251 0.750606 Sr\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.197788 0.231010 0.039744 O\n0.697788 0.768990 0.460256 O\n0.802212 0.768990 0.960256 O\n0.302212 0.231010 0.539744 O\n0.728017 0.152212 0.042451 O\n0.228017 0.847788 0.457549 O\n0.271983 0.847788 0.957549 O\n0.771983 0.152212 0.542451 O\n0.521288 0.310389 0.266797 O\n0.021288 0.689611 0.233203 O\n0.478712 0.689611 0.733203 O\n0.978712 0.310389 0.766797 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Tb",
"Ru",
"O"
],
"chemical_system": "O-Ru-Sr-Tb",
"density": 6.215120364025134,
"density_atomic": 0.07045574682882985,
"volume": 283.86612732371435,
"volume_molar": 8.54740887869745,
"formula_full": "Sr4 Tb2 Ru2 O12",
"formula_reduced": "Sr2TbRuO6",
"formula_anonymous": "ABC2D6",
"energy": -150.93401028,
"energy_per_atom": -7.546700513999999,
"energy_above_hull": null,
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"energy_uncorrected": -142.69001028,
"band_gap": 0.1878999999999999,
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"is_magnetic": true,
"total_magnetization": 5.9994161,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.089000Z",
"spacegroup": 14
},
{
"id": "mp-1208756",
"created_at": "2022-09-04T14:45:05.010869Z",
"structure_string": "Sr4 Tb2 Ta2 O12\n1.0\n4.777171 0.000000 -3.374605\n0.000000 5.961453 0.000000\n4.780448 0.000000 6.825364\nSr Tb Ta O\n4 2 2 12\ndirect\n0.009610 0.459777 0.251919 Sr\n0.990390 0.540223 0.748081 Sr\n0.490390 0.959777 0.248081 Sr\n0.509610 0.040223 0.751919 Sr\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.916159 0.028145 0.233586 O\n0.083841 0.971855 0.766414 O\n0.583841 0.528145 0.266414 O\n0.416159 0.471855 0.733586 O\n0.192283 0.725893 0.048439 O\n0.807717 0.274107 0.951561 O\n0.307717 0.225893 0.451561 O\n0.692283 0.774107 0.548439 O\n0.275307 0.194526 0.041272 O\n0.724693 0.805474 0.958728 O\n0.224693 0.694526 0.458728 O\n0.775307 0.305474 0.541272 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ta",
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],
"chemical_system": "O-Sr-Ta-Tb",
"density": 6.9851848812127235,
"density_atomic": 0.06883505763740613,
"volume": 290.5496223356347,
"volume_molar": 8.74865361735016,
"formula_full": "Sr4 Tb2 Ta2 O12",
"formula_reduced": "Sr2TbTaO6",
"formula_anonymous": "ABC2D6",
"energy": -170.96511897,
"energy_per_atom": -8.5482559485,
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"band_gap": 3.8367,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.715000Z",
"spacegroup": 14
},
{
"id": "mp-1518694",
"created_at": "2022-09-04T14:46:23.067650Z",
"structure_string": "Sr4 Tb4 Eu4 Co4 O24\n1.0\n9.385781 0.000000 0.000000\n0.000000 9.357477 0.000000\n0.000000 0.000000 9.411782\nSr Tb Eu Co O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.250540 0.249340 0.249621 Tb\n0.749460 0.750660 0.249621 Tb\n0.749460 0.249340 0.750379 Tb\n0.250540 0.750660 0.750379 Tb\n-0.000000 0.500000 -0.000000 Eu\n-0.000000 0.000000 0.500000 Eu\n-0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.746452 0.750702 0.749155 Co\n0.253548 0.249298 0.749155 Co\n0.253548 0.750702 0.250845 Co\n0.746452 0.249298 0.250845 Co\n0.979704 0.226414 0.269769 O\n0.020296 0.773586 0.269769 O\n0.020296 0.226414 0.730231 O\n0.979704 0.773586 0.730231 O\n0.266484 0.978672 0.229085 O\n0.266484 0.021328 0.770915 O\n0.733516 0.021328 0.229085 O\n0.733516 0.978672 0.770915 O\n0.223974 0.271657 0.979456 O\n0.776026 0.271657 0.020544 O\n0.223974 0.728343 0.020544 O\n0.776026 0.728343 0.979456 O\n0.522196 0.271906 0.232072 O\n0.477804 0.728094 0.232072 O\n0.477804 0.271906 0.767928 O\n0.522196 0.728094 0.767928 O\n0.229510 0.520891 0.269741 O\n0.229510 0.479109 0.730259 O\n0.770490 0.479109 0.269741 O\n0.770490 0.520891 0.730259 O\n0.269721 0.230255 0.521147 O\n0.730279 0.230255 0.478853 O\n0.269721 0.769745 0.478853 O\n0.730279 0.769745 0.521147 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 4.447108868616777,
"density_atomic": 0.04839037048812954,
"volume": 826.6107408665583,
"volume_molar": 12.444915588065745,
"formula_full": "Sr4 Tb4 Eu4 Co4 O24",
"formula_reduced": "SrTbEuCoO6",
"formula_anonymous": "ABCDE6",
"energy": -276.46123769,
"energy_per_atom": -6.911530942250001,
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"updated_at": "2021-11-28T01:37:37.410000Z",
"spacegroup": 16
},
{
"id": "mp-21898",
"created_at": "2022-09-04T14:40:00.650871Z",
"structure_string": "Sr4 Tb4 O12\n1.0\n6.048345 0.000000 0.000000\n0.000000 6.226708 0.000000\n0.000000 0.000000 8.597645\nSr Tb O\n4 4 12\ndirect\n0.983327 0.050689 0.250000 Sr\n0.483327 0.449311 0.750000 Sr\n0.516673 0.550689 0.250000 Sr\n0.016673 0.949311 0.750000 Sr\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.202799 0.205400 0.560387 O\n0.702799 0.294600 0.439613 O\n0.297201 0.705400 0.939613 O\n0.797201 0.794600 0.060387 O\n0.797201 0.794600 0.439613 O\n0.297201 0.705400 0.560387 O\n0.702799 0.294600 0.060387 O\n0.202799 0.205400 0.939613 O\n0.113051 0.449694 0.250000 O\n0.613051 0.050306 0.750000 O\n0.386949 0.949694 0.250000 O\n0.886949 0.550306 0.750000 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Sr-Tb",
"density": 6.042046191047738,
"density_atomic": 0.061766846793089795,
"volume": 323.7983001948792,
"volume_molar": 9.74979470811149,
"formula_full": "Sr4 Tb4 O12",
"formula_reduced": "SrTbO3",
"formula_anonymous": "ABC3",
"energy": -147.60900712,
"energy_per_atom": -7.380450356,
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"updated_at": "2021-11-28T01:34:45.929000Z",
"spacegroup": 62
},
{
"id": "mp-540740",
"created_at": "2022-09-04T14:40:58.452326Z",
"structure_string": "Sr4 Tb8 Fe8 O28\n1.0\n5.592176 0.000000 0.000000\n0.000000 5.592176 0.000000\n0.000000 0.000000 19.608338\nSr Tb Fe O\n4 8 8 28\ndirect\n0.259346 0.259346 0.000000 Sr\n0.240654 0.759346 0.500000 Sr\n0.759346 0.240654 0.500000 Sr\n0.740654 0.740654 0.000000 Sr\n0.277153 0.277153 0.183432 Tb\n0.222847 0.777153 0.683432 Tb\n0.777153 0.222847 0.683432 Tb\n0.777153 0.222847 0.316568 Tb\n0.222847 0.777153 0.316568 Tb\n0.722847 0.722847 0.183432 Tb\n0.277153 0.277153 0.816568 Tb\n0.722847 0.722847 0.816568 Tb\n0.258302 0.258302 0.399130 Fe\n0.241698 0.758302 0.899130 Fe\n0.758302 0.241698 0.899130 Fe\n0.758302 0.241698 0.100870 Fe\n0.241698 0.758302 0.100870 Fe\n0.741698 0.741698 0.399130 Fe\n0.258302 0.258302 0.600870 Fe\n0.741698 0.741698 0.600870 Fe\n0.704898 0.704898 0.500000 O\n0.795102 0.204898 0.000000 O\n0.204898 0.795102 0.000000 O\n0.295102 0.295102 0.500000 O\n0.185610 0.185610 0.289630 O\n0.314390 0.685610 0.789630 O\n0.685610 0.314390 0.789630 O\n0.685610 0.314390 0.210370 O\n0.314390 0.685610 0.210370 O\n0.814390 0.814390 0.289630 O\n0.185610 0.185610 0.710370 O\n0.814390 0.814390 0.710370 O\n0.000000 0.500000 0.112489 O\n0.000000 0.500000 0.612489 O\n0.500000 0.000000 0.387511 O\n0.500000 0.000000 0.887511 O\n0.000000 0.500000 0.887511 O\n0.000000 0.500000 0.387511 O\n0.500000 0.000000 0.612489 O\n0.500000 0.000000 0.112489 O\n0.000000 0.000000 0.131084 O\n0.500000 0.500000 0.631085 O\n0.500000 0.500000 0.368916 O\n0.000000 0.000000 0.868915 O\n0.000000 0.000000 0.409762 O\n0.500000 0.500000 0.909762 O\n0.500000 0.500000 0.090238 O\n0.000000 0.000000 0.590238 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 6.814991672377146,
"density_atomic": 0.07827783225979382,
"volume": 613.2004248750058,
"volume_molar": 7.693290151435604,
"formula_full": "Sr4 Tb8 Fe8 O28",
"formula_reduced": "SrTb2Fe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -389.2855049,
"energy_per_atom": -8.110114685416667,
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"updated_at": "2021-11-28T01:35:23.056000Z",
"spacegroup": 136
},
{
"id": "mp-18042",
"created_at": "2022-09-04T14:48:23.430433Z",
"structure_string": "Sr4 Tb8 O16\n1.0\n3.452571 0.000000 0.000000\n0.000000 10.199959 0.000000\n0.000000 0.000000 12.061631\nSr Tb O\n4 8 16\ndirect\n0.750000 0.252884 0.851273 Sr\n0.250000 0.747116 0.148727 Sr\n0.750000 0.752884 0.648727 Sr\n0.250000 0.247116 0.351273 Sr\n0.250000 0.576942 0.888906 Tb\n0.750000 0.423058 0.111094 Tb\n0.250000 0.076942 0.611094 Tb\n0.750000 0.923058 0.388906 Tb\n0.750000 0.922528 0.887862 Tb\n0.250000 0.077472 0.112138 Tb\n0.750000 0.422528 0.612138 Tb\n0.250000 0.577472 0.387862 Tb\n0.250000 0.574675 0.577642 O\n0.750000 0.425325 0.422358 O\n0.250000 0.074675 0.922358 O\n0.750000 0.925325 0.077642 O\n0.250000 0.485326 0.216212 O\n0.750000 0.514674 0.783788 O\n0.250000 0.985326 0.283788 O\n0.750000 0.014674 0.716212 O\n0.250000 0.874031 0.520369 O\n0.750000 0.125969 0.479631 O\n0.250000 0.374031 0.979631 O\n0.750000 0.625969 0.020369 O\n0.750000 0.711440 0.324308 O\n0.250000 0.288560 0.675692 O\n0.750000 0.211440 0.175692 O\n0.250000 0.788560 0.824308 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 7.341220674507803,
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{
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{
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}