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{
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"results": [
{
"id": "mp-9126",
"created_at": "2022-09-04T14:45:26.720588Z",
"structure_string": "Sr1 Sb2 O6\n1.0\n2.676757 -4.636279 0.000000\n2.676757 4.636279 0.000000\n0.000000 0.000000 5.463474\nSr Sb O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n0.377194 0.377194 0.706086 O\n0.622806 0.000000 0.706086 O\n0.000000 0.622806 0.706086 O\n0.377194 0.000000 0.293914 O\n0.000000 0.377194 0.293914 O\n0.622806 0.622806 0.293914 O\n",
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"elements": [
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"density": 5.230440839088431,
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"volume": 135.60552557372927,
"volume_molar": 9.073728475986417,
"formula_full": "Sr1 Sb2 O6",
"formula_reduced": "Sr(SbO3)2",
"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:36:59.781000Z",
"spacegroup": 162
},
{
"id": "mp-4103",
"created_at": "2022-09-04T14:47:07.365517Z",
"structure_string": "Sr4 Sb4 O14\n1.0\n-3.786426 3.899742 5.262667\n3.786426 -3.899742 5.262667\n3.786426 3.899742 -5.262667\nSr Sb O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.949087 0.585817 0.772575 O\n0.050913 0.823488 0.636730 O\n0.686758 0.914183 0.363270 O\n0.313242 0.676512 0.227425 O\n0.050913 0.414183 0.227425 O\n0.949087 0.176512 0.363270 O\n0.313242 0.085817 0.636730 O\n0.686758 0.323488 0.772575 O\n0.098083 0.250000 0.848083 O\n0.901917 0.750000 0.151917 O\n0.689710 0.408415 0.281295 O\n0.310290 0.591585 0.718705 O\n0.372880 0.091585 0.281295 O\n0.627120 0.908415 0.718705 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
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"density": 5.670777540060726,
"density_atomic": 0.07077688578130131,
"volume": 310.83594251348404,
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"formula_full": "Sr4 Sb4 O14",
"formula_reduced": "Sr2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -149.09854278,
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"energy_uncorrected": -139.48054278,
"band_gap": 1.3703999999999996,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.794000Z",
"spacegroup": 74
},
{
"id": "mp-675680",
"created_at": "2022-09-04T14:43:52.510469Z",
"structure_string": "Sr4 Sb8 O24\n1.0\n3.706887 6.297457 0.000000\n-3.706887 6.297457 0.000000\n0.000000 4.160036 11.891605\nSr Sb O\n4 8 24\ndirect\n0.817354 0.600865 0.717626 Sr\n0.600865 0.817354 0.217626 Sr\n0.399135 0.182646 0.782374 Sr\n0.182646 0.399135 0.282374 Sr\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.242924 0.757076 0.750000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.757076 0.242924 0.250000 Sb\n0.792966 0.879375 0.529120 O\n0.111211 0.557021 0.834127 O\n0.479775 0.580845 0.837951 O\n0.399908 0.270606 0.555553 O\n0.419155 0.520225 0.662049 O\n0.270606 0.399908 0.055553 O\n0.713121 0.213081 0.962430 O\n0.557021 0.111211 0.334127 O\n0.786919 0.286879 0.537570 O\n0.111115 0.998637 0.832972 O\n0.998637 0.111115 0.332972 O\n0.120625 0.207034 0.970880 O\n0.001363 0.888885 0.667028 O\n0.879375 0.792966 0.029120 O\n0.888885 0.001363 0.167028 O\n0.213081 0.713121 0.462430 O\n0.286879 0.786919 0.037570 O\n0.442979 0.888789 0.665873 O\n0.729394 0.600092 0.944447 O\n0.580845 0.479775 0.337951 O\n0.600092 0.729394 0.444447 O\n0.520225 0.419155 0.162049 O\n0.207034 0.120625 0.470880 O\n0.888789 0.442979 0.165873 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr",
"density": 5.110114639765556,
"density_atomic": 0.0648421597970477,
"volume": 555.1943382619883,
"volume_molar": 9.287384594913187,
"formula_full": "Sr4 Sb8 O24",
"formula_reduced": "Sr(SbO3)2",
"formula_anonymous": "AB2C6",
"energy": -239.22502194,
"energy_per_atom": -6.645139498333333,
"energy_above_hull": null,
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"energy_uncorrected": -222.73702194000003,
"band_gap": 1.3549000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.142000Z",
"spacegroup": 15
},
{
"id": "mp-1187192",
"created_at": "2022-09-04T14:43:03.568838Z",
"structure_string": "Sr1 Sb1 O3\n1.0\n4.208672 0.000000 0.000000\n0.000000 4.208672 0.000000\n0.000000 0.000000 4.208672\nSr Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"O"
],
"chemical_system": "O-Sb-Sr",
"density": 5.733048487761328,
"density_atomic": 0.06707099705634556,
"volume": 74.54787045732388,
"volume_molar": 8.978755385045,
"formula_full": "Sr1 Sb1 O3",
"formula_reduced": "SrSbO3",
"formula_anonymous": "ABC3",
"energy": -32.54334383,
"energy_per_atom": -6.5086687659999996,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -30.48234383,
"band_gap": 0.0,
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"total_magnetization": 0.0001207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.962000Z",
"spacegroup": 221
},
{
"id": "mp-1197996",
"created_at": "2022-09-04T14:48:10.929935Z",
"structure_string": "Sr10 Sb44 O76\n1.0\n12.216680 0.000000 0.000000\n0.000000 11.920117 0.000000\n0.000000 11.509583 16.630185\nSr Sb O\n10 44 76\ndirect\n0.681448 0.168614 0.666799 Sr\n0.818552 0.168614 0.166799 Sr\n0.318552 0.831386 0.333201 Sr\n0.181448 0.831386 0.833201 Sr\n0.349089 0.148264 0.669361 Sr\n0.150911 0.148264 0.169361 Sr\n0.650911 0.851736 0.330639 Sr\n0.849089 0.851736 0.830639 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.360731 0.464197 0.678917 Sb\n0.139269 0.464197 0.178917 Sb\n0.639269 0.535803 0.321083 Sb\n0.860731 0.535803 0.821083 Sb\n0.660299 0.490901 0.663666 Sb\n0.839701 0.490901 0.163666 Sb\n0.339701 0.509099 0.336334 Sb\n0.160299 0.509099 0.836334 Sb\n0.149698 0.145483 0.830257 Sb\n0.350302 0.145483 0.330257 Sb\n0.850302 0.854517 0.169743 Sb\n0.649698 0.854517 0.669743 Sb\n0.680586 0.850595 0.997374 Sb\n0.819414 0.850595 0.497374 Sb\n0.319414 0.149405 0.002626 Sb\n0.180586 0.149405 0.502626 Sb\n0.466250 0.491048 0.845024 Sb\n0.033750 0.491048 0.345024 Sb\n0.533750 0.508952 0.154976 Sb\n0.966250 0.508952 0.654976 Sb\n0.831026 0.179823 0.502826 Sb\n0.668974 0.179823 0.002826 Sb\n0.168974 0.820177 0.497174 Sb\n0.331026 0.820177 0.997174 Sb\n0.008315 0.835301 0.987588 Sb\n0.491685 0.835301 0.487588 Sb\n0.991685 0.164699 0.012412 Sb\n0.508315 0.164699 0.512412 Sb\n0.509114 0.185374 0.817416 Sb\n0.990886 0.185374 0.317416 Sb\n0.490886 0.814626 0.182584 Sb\n0.009114 0.814626 0.682584 Sb\n0.869903 0.198779 0.807063 Sb\n0.630097 0.198779 0.307063 Sb\n0.130097 0.801221 0.192937 Sb\n0.369903 0.801221 0.692937 Sb\n0.034040 0.144294 0.655660 Sb\n0.465960 0.144294 0.155660 Sb\n0.965960 0.855706 0.344340 Sb\n0.534040 0.855706 0.844340 Sb\n0.802591 0.507574 0.494832 Sb\n0.697409 0.507574 0.994832 Sb\n0.197409 0.492426 0.505168 Sb\n0.302591 0.492426 0.005168 Sb\n0.018810 0.940093 0.723108 O\n0.481190 0.940093 0.223108 O\n0.981190 0.059907 0.276892 O\n0.518810 0.059907 0.776892 O\n0.683005 0.461367 0.574756 O\n0.816995 0.461367 0.074756 O\n0.316995 0.538633 0.425244 O\n0.183005 0.538633 0.925244 O\n0.017350 0.292916 0.763834 O\n0.482650 0.292916 0.263834 O\n0.982650 0.707084 0.236166 O\n0.517350 0.707084 0.736166 O\n0.155510 0.100958 0.748994 O\n0.344490 0.100958 0.248994 O\n0.844490 0.899042 0.251006 O\n0.655510 0.899042 0.751006 O\n0.851014 0.105737 0.753983 O\n0.648986 0.105737 0.253983 O\n0.148986 0.894263 0.246017 O\n0.351014 0.894263 0.746017 O\n0.629515 0.286712 0.738174 O\n0.870485 0.286712 0.238174 O\n0.370485 0.713288 0.261826 O\n0.129515 0.713288 0.761826 O\n0.496380 0.528048 0.614964 O\n0.003620 0.528048 0.114964 O\n0.503620 0.471952 0.385036 O\n0.996380 0.471952 0.885036 O\n0.330867 0.605206 0.799576 O\n0.169133 0.605206 0.299576 O\n0.669133 0.394794 0.200424 O\n0.830867 0.394794 0.700424 O\n0.014234 0.760561 0.923369 O\n0.485766 0.760561 0.423369 O\n0.985766 0.239439 0.076631 O\n0.514234 0.239439 0.576631 O\n0.380810 0.260456 0.742317 O\n0.119190 0.260456 0.242317 O\n0.619190 0.739544 0.257683 O\n0.880810 0.739544 0.757683 O\n0.471962 0.419477 0.777608 O\n0.028038 0.419477 0.277608 O\n0.528038 0.580523 0.222392 O\n0.971962 0.580523 0.722392 O\n0.974659 0.127052 0.555719 O\n0.525341 0.127052 0.055719 O\n0.025341 0.872948 0.444281 O\n0.474659 0.872948 0.944281 O\n0.692565 0.582050 0.408416 O\n0.807435 0.582050 0.908416 O\n0.307435 0.417950 0.591584 O\n0.192565 0.417950 0.091584 O\n0.676857 0.850393 0.898892 O\n0.823143 0.850393 0.398892 O\n0.323143 0.149607 0.101108 O\n0.176857 0.149607 0.601108 O\n0.010718 0.036968 0.889214 O\n0.489282 0.036968 0.389214 O\n0.989282 0.963032 0.110786 O\n0.510718 0.963032 0.610786 O\n0.793463 0.313460 0.530296 O\n0.706537 0.313460 0.030296 O\n0.206537 0.686540 0.469704 O\n0.293463 0.686540 0.969704 O\n0.653426 0.655038 0.077110 O\n0.846574 0.655038 0.577110 O\n0.346574 0.344962 0.922890 O\n0.153426 0.344962 0.422890 O\n0.733601 0.052397 0.592449 O\n0.766399 0.052397 0.092449 O\n0.266399 0.947603 0.407551 O\n0.233601 0.947603 0.907551 O\n0.844652 0.829355 0.993285 O\n0.655348 0.829355 0.493285 O\n0.155348 0.170645 0.006715 O\n0.344652 0.170645 0.506715 O\n",
"nsites": 130,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Sb-Sr",
"density": 5.108000468019755,
"density_atomic": 0.05368000596186631,
"volume": 2421.758300331609,
"volume_molar": 11.218591824073311,
"formula_full": "Sr10 Sb44 O76",
"formula_reduced": "Sr5(Sb11O19)2",
"formula_anonymous": "A5B22C38",
"energy": -840.39117945,
"energy_per_atom": -6.464547534230769,
"energy_above_hull": null,
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"energy_uncorrected": -788.17917945,
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"updated_at": "2021-11-28T01:38:24.925000Z",
"spacegroup": 14
},
{
"id": "mp-1517218",
"created_at": "2022-09-04T14:46:38.017710Z",
"structure_string": "Sr2 Tb1 Sb1 O6\n1.0\n0.000000 -4.207982 -4.207982\n4.207982 0.000000 -4.207982\n4.207982 -4.207982 0.000000\nSr Tb Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763073 0.236927 0.236927 O\n0.236927 0.763073 0.763073 O\n0.763073 0.236927 0.763073 O\n0.236927 0.763073 0.236927 O\n0.763073 0.763073 0.236927 O\n0.236927 0.236927 0.763073 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "O-Sb-Sr-Tb",
"density": 6.149998226294275,
"density_atomic": 0.06710399618296138,
"volume": 149.02242144766836,
"volume_molar": 8.97433998353902,
"formula_full": "Sr2 Tb1 Sb1 O6",
"formula_reduced": "Sr2TbSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.31627177,
"energy_per_atom": -7.231627177,
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"updated_at": "2021-11-28T01:37:43.628000Z",
"spacegroup": 225
},
{
"id": "mp-1520180",
"created_at": "2022-09-04T14:46:19.068804Z",
"structure_string": "Sr2 Ti1 Sb1 O6\n1.0\n0.000000 -4.074429 -4.074429\n4.074429 -0.000000 -4.074429\n4.074429 -4.074429 0.000000\nSr Ti Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 0.000000 Sb\n0.742430 0.257570 0.257570 O\n0.257570 0.742430 0.742430 O\n0.742430 0.257570 0.742430 O\n0.257570 0.742430 0.257570 O\n0.742430 0.742430 0.257570 O\n0.257570 0.257570 0.742430 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 5.41156506624414,
"density_atomic": 0.07392132477334946,
"volume": 135.27896085008013,
"volume_molar": 8.146689441057118,
"formula_full": "Sr2 Ti1 Sb1 O6",
"formula_reduced": "Sr2TiSbO6",
"formula_anonymous": "ABC2D6",
"energy": -74.23248219,
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"updated_at": "2021-11-28T01:37:27.557000Z",
"spacegroup": 225
},
{
"id": "mp-1048111",
"created_at": "2022-09-04T14:46:09.336626Z",
"structure_string": "Sr4 Y2 Sb4 O14\n1.0\n-12.723066 2.916072 3.121772\n12.723066 -2.916072 3.121772\n12.723066 2.916072 -3.121772\nSr Y Sb O\n4 2 4 14\ndirect\n0.765271 0.716820 0.680874 Sr\n0.035946 0.084395 0.319126 Sr\n0.765271 0.584395 0.548451 Sr\n0.035946 0.216820 0.451549 Sr\n0.022202 0.522202 0.500000 Y\n0.022202 0.022202 0.000000 Y\n0.539383 0.470098 0.926153 Sb\n0.543945 0.613230 0.073847 Sb\n0.539383 0.113230 0.569286 Sb\n0.543945 0.970098 0.430714 Sb\n0.970896 0.920369 0.550525 O\n0.369844 0.420369 0.449475 O\n0.472552 0.221816 0.153573 O\n0.068243 0.318981 0.846427 O\n0.472552 0.818980 0.750737 O\n0.068243 0.721816 0.249263 O\n0.666680 0.794800 0.740219 O\n0.054582 0.926460 0.259781 O\n0.666680 0.426460 0.371880 O\n0.054582 0.294800 0.628120 O\n0.540705 0.895843 0.350954 O\n0.544889 0.189750 0.649046 O\n0.540705 0.689750 0.144862 O\n0.544889 0.395843 0.855138 O\n",
"nsites": 24,
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"elements": [
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"Y",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr-Y",
"density": 4.442040532039286,
"density_atomic": 0.051803612545285586,
"volume": 463.28815348581577,
"volume_molar": 11.624943636383614,
"formula_full": "Sr4 Y2 Sb4 O14",
"formula_reduced": "Sr2YSb2O7",
"formula_anonymous": "AB2C2D7",
"energy": -165.16976602,
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"updated_at": "2021-11-28T01:37:26.433000Z",
"spacegroup": 46
},
{
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{
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{
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