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{
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"results": [
{
"id": "mp-1716",
"created_at": "2022-09-04T14:47:08.421919Z",
"structure_string": "Rh8 O12\n1.0\n5.260030 0.000000 0.000000\n0.000000 5.453001 0.000000\n0.000000 0.000000 7.375850\nRh O\n8 12\ndirect\n0.749682 0.030092 0.107313 Rh\n0.749682 0.469908 0.892687 Rh\n0.750318 0.530092 0.392687 Rh\n0.750318 0.969908 0.607313 Rh\n0.250318 0.969908 0.892687 Rh\n0.250318 0.530092 0.107313 Rh\n0.249682 0.469908 0.607313 Rh\n0.249682 0.030092 0.392687 Rh\n0.050120 0.250000 0.000000 O\n0.449880 0.750000 0.500000 O\n0.949880 0.750000 0.000000 O\n0.550120 0.250000 0.500000 O\n0.607223 0.112046 0.848913 O\n0.607223 0.387954 0.151087 O\n0.892777 0.612046 0.651087 O\n0.892777 0.887954 0.348913 O\n0.392777 0.887954 0.151087 O\n0.392777 0.612046 0.848913 O\n0.107223 0.387954 0.348913 O\n0.107223 0.112046 0.651087 O\n",
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"density": 7.968573348005018,
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{
"id": "mp-1218503",
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"structure_string": "Sr8 Ru1 Rh3 O16\n1.0\n-2.763680 2.763680 13.025909\n2.763680 -2.763680 13.025909\n2.763680 2.763680 -13.025909\nSr Ru Rh O\n8 1 3 16\ndirect\n0.926425 0.426425 0.500000 Sr\n0.425950 0.925950 0.500000 Sr\n0.325006 0.325006 0.000000 Sr\n0.825001 0.825001 0.000000 Sr\n0.573575 0.073575 0.500000 Sr\n0.074050 0.574050 0.500000 Sr\n0.674994 0.674994 0.000000 Sr\n0.174999 0.174999 0.000000 Sr\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.829177 0.329177 0.500000 O\n0.330893 0.830893 0.500000 O\n0.419431 0.419431 0.000000 O\n0.919421 0.919421 0.000000 O\n0.670823 0.170823 0.500000 O\n0.169107 0.669107 0.500000 O\n0.580569 0.580569 0.000000 O\n0.080579 0.080579 0.000000 O\n0.301383 0.198598 0.499977 O\n0.198594 0.698617 0.897215 O\n0.551929 0.955761 0.007699 O\n0.455769 0.448071 0.403831 O\n0.698621 0.801406 0.500023 O\n0.801402 0.301379 0.102785 O\n0.948062 0.544231 0.992301 O\n0.044239 0.051938 0.596169 O\n",
"nsites": 28,
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"elements": [
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"Rh",
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],
"chemical_system": "O-Rh-Ru-Sr",
"density": 5.7028306475027195,
"density_atomic": 0.0703581625142341,
"volume": 397.96377562212973,
"volume_molar": 8.559263836348292,
"formula_full": "Sr8 Ru1 Rh3 O16",
"formula_reduced": "Sr8RuRh3O16",
"formula_anonymous": "AB3C8D16",
"energy": -191.42424649,
"energy_per_atom": -6.836580231785715,
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"updated_at": "2021-11-28T01:36:03.666000Z",
"spacegroup": 82
},
{
"id": "mp-675025",
"created_at": "2022-09-04T14:43:09.013395Z",
"structure_string": "Sb1 Rh1 O4\n1.0\n3.272939 -3.328904 0.000000\n3.272939 3.328904 0.000000\n0.000000 0.000000 3.217264\nSb Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n0.306342 0.306342 0.000000 O\n0.191725 0.808275 0.500000 O\n0.808275 0.191725 0.500000 O\n0.693658 0.693658 0.000000 O\n",
"nsites": 6,
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"density": 6.837297727841615,
"density_atomic": 0.08558455032732545,
"volume": 70.10611117371634,
"volume_molar": 7.0364811604054776,
"formula_full": "Sb1 Rh1 O4",
"formula_reduced": "SbRhO4",
"formula_anonymous": "ABC4",
"energy": -40.49294565,
"energy_per_atom": -6.7488242750000005,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:59.777000Z",
"spacegroup": 65
},
{
"id": "mp-754757",
"created_at": "2022-09-04T14:45:08.871583Z",
"structure_string": "Sb2 Rh2 O8\n1.0\n-3.321961 3.321961 3.169751\n3.321961 -3.321961 3.169751\n3.321961 3.321961 -3.169751\nSb Rh O\n2 2 8\ndirect\n0.253182 0.753182 0.500000 Sb\n0.003182 0.003182 0.000000 Sb\n0.746256 0.246256 0.500000 Rh\n0.496256 0.496256 0.000000 Rh\n0.945241 0.753874 0.191367 O\n0.439049 0.246407 0.192641 O\n0.496407 0.803766 0.307359 O\n0.003874 0.312507 0.308633 O\n0.496407 0.189049 0.692641 O\n0.003874 0.695241 0.691367 O\n0.053766 0.246407 0.807359 O\n0.562507 0.753874 0.808633 O\n",
"nsites": 12,
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"elements": [
"Sb",
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"O"
],
"chemical_system": "O-Rh-Sb",
"density": 6.851665722266201,
"density_atomic": 0.08576439891530291,
"volume": 139.9181962652203,
"volume_molar": 7.021725606620525,
"formula_full": "Sb2 Rh2 O8",
"formula_reduced": "SbRhO4",
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"energy": -81.35195442,
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"updated_at": "2021-11-28T01:36:57.638000Z",
"spacegroup": 109
},
{
"id": "mp-1196890",
"created_at": "2022-09-04T14:44:27.850359Z",
"structure_string": "Sc8 Rh8 O24\n1.0\n7.531681 0.000000 0.000000\n0.000000 7.560377 0.000000\n0.000000 7.122611 7.601582\nSc Rh O\n8 8 24\ndirect\n0.740481 0.568570 0.725276 Sc\n0.759519 0.568570 0.225276 Sc\n0.259519 0.431430 0.274724 Sc\n0.240481 0.431430 0.774724 Sc\n0.732850 0.064643 0.210462 Sc\n0.767150 0.064643 0.710462 Sc\n0.267150 0.935357 0.789538 Sc\n0.232850 0.935357 0.289538 Sc\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.963488 0.349722 0.890362 O\n0.536512 0.349722 0.390362 O\n0.036512 0.650278 0.109638 O\n0.463488 0.650278 0.609638 O\n0.046062 0.145417 0.746592 O\n0.453938 0.145417 0.246592 O\n0.953938 0.854583 0.253408 O\n0.546062 0.854583 0.753408 O\n0.751735 0.925237 0.464103 O\n0.748265 0.925237 0.964103 O\n0.248265 0.074763 0.535897 O\n0.251735 0.074763 0.035897 O\n0.099661 0.214045 0.246295 O\n0.400339 0.214045 0.746295 O\n0.900339 0.785955 0.753705 O\n0.599661 0.785955 0.253705 O\n0.750081 0.423877 0.611930 O\n0.749919 0.423877 0.111930 O\n0.249919 0.576123 0.388070 O\n0.250081 0.576123 0.888070 O\n0.897619 0.292806 0.453926 O\n0.602381 0.292806 0.953926 O\n0.102381 0.707194 0.546074 O\n0.397619 0.707194 0.046074 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Rh",
"O"
],
"chemical_system": "O-Rh-Sc",
"density": 6.010970822719775,
"density_atomic": 0.09241035464519622,
"volume": 432.8519261026267,
"volume_molar": 6.5167380680678395,
"formula_full": "Sc8 Rh8 O24",
"formula_reduced": "ScRhO3",
"formula_anonymous": "ABC3",
"energy": -328.65654729,
"energy_per_atom": -8.21641368225,
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"updated_at": "2021-11-28T01:36:41.081000Z",
"spacegroup": 14
},
{
"id": "mp-1188449",
"created_at": "2022-09-04T14:45:58.037973Z",
"structure_string": "Sc4 Rh4 O12\n1.0\n5.122828 0.000000 0.000000\n0.000000 5.541807 0.000000\n0.000000 0.000000 7.574297\nSc Rh O\n4 4 12\ndirect\n0.533964 0.080697 0.250000 Sc\n0.466036 0.919303 0.750000 Sc\n0.966036 0.580697 0.250000 Sc\n0.033964 0.419303 0.750000 Sc\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.154146 0.927852 0.250000 O\n0.845854 0.072148 0.750000 O\n0.345854 0.427852 0.250000 O\n0.654146 0.572148 0.750000 O\n0.171910 0.683877 0.576943 O\n0.828090 0.316123 0.076943 O\n0.828090 0.316123 0.423057 O\n0.171910 0.683877 0.923057 O\n0.671910 0.816123 0.423057 O\n0.328090 0.183877 0.923057 O\n0.328090 0.183877 0.576943 O\n0.671910 0.816123 0.076943 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Rh-Sc",
"density": 6.049931768142321,
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"volume": 215.03220185571337,
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"formula_full": "Sc4 Rh4 O12",
"formula_reduced": "ScRhO3",
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"energy": -163.79775696,
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"updated_at": "2021-11-28T01:37:13.472000Z",
"spacegroup": 62
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{
"id": "mp-18247",
"created_at": "2022-09-04T14:47:19.550585Z",
"structure_string": "Sr6 Sc2 Rh2 O12\n1.0\n4.669635 -4.889582 0.000000\n4.669635 4.889582 0.000000\n-0.450253 0.000000 6.746167\nSr Sc Rh O\n6 2 2 12\ndirect\n0.750000 0.118907 0.381093 Sr\n0.381093 0.750000 0.118907 Sr\n0.118907 0.381093 0.750000 Sr\n0.250000 0.881093 0.618907 Sr\n0.618907 0.250000 0.881093 Sr\n0.881093 0.618907 0.250000 Sr\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.599262 0.792847 0.466416 O\n0.466416 0.599262 0.792847 O\n0.792847 0.466416 0.599262 O\n0.900738 0.033584 0.707153 O\n0.707153 0.900738 0.033584 O\n0.033584 0.707153 0.900738 O\n0.400738 0.207153 0.533584 O\n0.533584 0.400738 0.207153 O\n0.207153 0.533584 0.400738 O\n0.099262 0.966416 0.292847 O\n0.966416 0.292847 0.099262 O\n0.292847 0.099262 0.966416 O\n",
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"formula_full": "Sr6 Sc2 Rh2 O12",
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"spacegroup": 167
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{
"id": "mp-3317",
"created_at": "2022-09-04T14:44:25.921292Z",
"structure_string": "Sm4 Rh4 O12\n1.0\n5.355391 0.000000 0.000000\n0.000000 5.885304 0.000000\n0.000000 0.000000 7.773857\nSm Rh O\n4 4 12\ndirect\n0.471152 0.582155 0.750000 Sm\n0.971152 0.917845 0.250000 Sm\n0.028848 0.082155 0.750000 Sm\n0.528848 0.417845 0.250000 Sm\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.819974 0.193081 0.441839 O\n0.319974 0.306919 0.558161 O\n0.680026 0.693081 0.058161 O\n0.180026 0.806919 0.941839 O\n0.180026 0.806919 0.558161 O\n0.680026 0.693081 0.441839 O\n0.319974 0.306919 0.941839 O\n0.819974 0.193081 0.058161 O\n0.376426 0.043667 0.250000 O\n0.876426 0.456333 0.750000 O\n0.123574 0.543667 0.250000 O\n0.623574 0.956333 0.750000 O\n",
"nsites": 20,
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"elements": [
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"density": 8.166938056880833,
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"volume": 245.01723398133615,
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"formula_full": "Sm4 Rh4 O12",
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"updated_at": "2021-11-28T01:36:36.524000Z",
"spacegroup": 62
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{
"id": "mp-17829",
"created_at": "2022-09-04T14:43:48.360102Z",
"structure_string": "Sr6 Sm2 Rh2 O12\n1.0\n4.800356 -4.958389 0.000000\n4.800356 4.958389 0.000000\n-0.321269 0.000000 6.893898\nSr Sm Rh O\n6 2 2 12\ndirect\n0.380884 0.119116 0.750000 Sr\n0.119116 0.750000 0.380884 Sr\n0.750000 0.380884 0.119116 Sr\n0.619116 0.880884 0.250000 Sr\n0.250000 0.619116 0.880884 Sr\n0.880884 0.250000 0.619116 Sr\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.086372 0.291622 0.951763 O\n0.951763 0.086372 0.291622 O\n0.291622 0.951763 0.086372 O\n0.413628 0.548237 0.208378 O\n0.208378 0.413628 0.548237 O\n0.548237 0.208378 0.413628 O\n0.913628 0.708378 0.048237 O\n0.048237 0.913628 0.708378 O\n0.708378 0.048237 0.913628 O\n0.586372 0.451763 0.791622 O\n0.451763 0.791622 0.586372 O\n0.791622 0.586372 0.451763 O\n",
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"formula_full": "Sr6 Sm2 Rh2 O12",
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{
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{
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{
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}