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{
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"results": [
{
"id": "mp-1219005",
"created_at": "2022-09-04T14:47:04.167331Z",
"structure_string": "Sm1 Y1 Co4\n1.0\n0.000000 3.599325 3.599325\n3.599325 0.000000 3.599325\n3.599325 3.599325 0.000000\nSm Y Co\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sm\n0.000000 0.000000 0.000000 Y\n0.625050 0.625050 0.124850 Co\n0.625050 0.124850 0.625050 Co\n0.124850 0.625050 0.625050 Co\n0.625050 0.625050 0.625050 Co\n",
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"elements": [
"Sm",
"Y",
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],
"chemical_system": "Co-Sm-Y",
"density": 8.457621979257132,
"density_atomic": 0.06433659407172303,
"volume": 93.2595218408849,
"volume_molar": 9.360366128935054,
"formula_full": "Sm1 Y1 Co4",
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"spacegroup": 216
},
{
"id": "mp-1196343",
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"structure_string": "Rb8 Ba2 V12 O36\n1.0\n7.794018 -7.009113 0.000000\n7.794018 7.009113 0.000000\n1.490766 0.000000 10.375548\nRb Ba V O\n8 2 12 36\ndirect\n0.499624 0.499624 0.499624 Rb\n0.999624 0.999624 0.999624 Rb\n0.915386 0.085235 0.496901 Rb\n0.496901 0.915386 0.085235 Rb\n0.085235 0.496901 0.915386 Rb\n0.996901 0.585235 0.415386 Rb\n0.415386 0.996901 0.585235 Rb\n0.585235 0.415386 0.996901 Rb\n0.267433 0.267433 0.267433 Ba\n0.767433 0.767433 0.767433 Ba\n0.798975 0.669060 0.102346 V\n0.102346 0.798975 0.669060 V\n0.669060 0.102346 0.798975 V\n0.602346 0.169060 0.298975 V\n0.298975 0.602346 0.169060 V\n0.169060 0.298975 0.602346 V\n0.705836 0.833668 0.387425 V\n0.387425 0.705836 0.833668 V\n0.833668 0.387425 0.705836 V\n0.887425 0.333668 0.205836 V\n0.205836 0.887425 0.333668 V\n0.333668 0.205836 0.887425 V\n0.004341 0.348686 0.659424 O\n0.659424 0.004341 0.348686 O\n0.348686 0.659424 0.004341 O\n0.159424 0.848686 0.504341 O\n0.504341 0.159424 0.848686 O\n0.848686 0.504341 0.159424 O\n0.174619 0.163046 0.529060 O\n0.529060 0.174619 0.163046 O\n0.163046 0.529060 0.174619 O\n0.029060 0.663046 0.674619 O\n0.674619 0.029060 0.663046 O\n0.663046 0.674619 0.029060 O\n0.772417 0.764236 0.239446 O\n0.239446 0.772417 0.764236 O\n0.764236 0.239446 0.772417 O\n0.739446 0.264236 0.272417 O\n0.272417 0.739446 0.264236 O\n0.264236 0.272417 0.739446 O\n0.911565 0.727080 0.991183 O\n0.991183 0.911565 0.727080 O\n0.727080 0.991183 0.911565 O\n0.491183 0.227080 0.411565 O\n0.411565 0.491183 0.227080 O\n0.227080 0.411565 0.491183 O\n0.993374 0.313841 0.318696 O\n0.318696 0.993374 0.313841 O\n0.313841 0.318696 0.993374 O\n0.818696 0.813841 0.493374 O\n0.493374 0.818696 0.813841 O\n0.813841 0.493374 0.818696 O\n0.575279 0.764904 0.454216 O\n0.454216 0.575279 0.764904 O\n0.764904 0.454216 0.575279 O\n0.954216 0.264904 0.075279 O\n0.075279 0.954216 0.264904 O\n0.264904 0.075279 0.954216 O\n",
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"elements": [
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"O"
],
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"density": 3.1430195877045914,
"density_atomic": 0.051163764100371836,
"volume": 1133.6147959367688,
"volume_molar": 11.770323911637755,
"formula_full": "Rb8 Ba2 V12 O36",
"formula_reduced": "Rb4BaV6O18",
"formula_anonymous": "AB4C6D18",
"energy": -444.48346425,
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"updated_at": "2021-11-28T01:37:54.101000Z",
"spacegroup": 161
},
{
"id": "mp-1205237",
"created_at": "2022-09-04T14:47:10.159493Z",
"structure_string": "Ti12 C240 Cl48\n1.0\n-13.393756 0.000000 0.872800\n0.020160 0.000000 -18.322818\n0.000000 -19.434273 0.000000\nTi C Cl\n12 240 48\ndirect\n0.159375 0.896274 0.243660 Ti\n0.659375 0.396274 0.256340 Ti\n0.840625 0.103726 0.756340 Ti\n0.340625 0.603726 0.743660 Ti\n0.870859 0.141011 0.410271 Ti\n0.370859 0.641011 0.089729 Ti\n0.129141 0.858989 0.589729 Ti\n0.629141 0.358989 0.910271 Ti\n0.596883 0.048185 0.144907 Ti\n0.096883 0.548185 0.355093 Ti\n0.403117 0.951815 0.855093 Ti\n0.903117 0.451815 0.644907 Ti\n0.948233 0.565870 0.887465 C\n0.448233 0.065870 0.612535 C\n0.051767 0.434130 0.112535 C\n0.551767 0.934130 0.387465 C\n0.891133 0.582403 0.826477 C\n0.391133 0.082403 0.673523 C\n0.108867 0.417597 0.173523 C\n0.608867 0.917597 0.326477 C\n0.785724 0.575471 0.844608 C\n0.285724 0.075471 0.655392 C\n0.214276 0.424529 0.155392 C\n0.714276 0.924529 0.344608 C\n0.777876 0.554784 0.916663 C\n0.277876 0.054784 0.583337 C\n0.222124 0.445216 0.083337 C\n0.722124 0.945216 0.416663 C\n0.878325 0.548915 0.943222 C\n0.378325 0.048915 0.556778 C\n0.121675 0.451085 0.056778 C\n0.621675 0.951085 0.443222 C\n0.039144 0.605184 0.900950 C\n0.539144 0.105184 0.599050 C\n0.960856 0.394816 0.099050 C\n0.460856 0.894816 0.400950 C\n0.926994 0.637391 0.781245 C\n0.426994 0.137391 0.718755 C\n0.073006 0.362609 0.218755 C\n0.573006 0.862609 0.281245 C\n0.720141 0.623948 0.816701 C\n0.220141 0.123948 0.683299 C\n0.279859 0.376052 0.183299 C\n0.779859 0.876052 0.316701 C\n0.704727 0.583202 0.958336 C\n0.204727 0.083202 0.541664 C\n0.295273 0.416798 0.041664 C\n0.795273 0.916798 0.458336 C\n0.901795 0.571641 0.010291 C\n0.401795 0.071641 0.489709 C\n0.098205 0.428359 0.989709 C\n0.598205 0.928359 0.510291 C\n0.076378 0.662497 0.854039 C\n0.576378 0.162497 0.645961 C\n0.923622 0.337503 0.145961 C\n0.423622 0.837503 0.354039 C\n0.858855 0.687881 0.752436 C\n0.358855 0.187881 0.747564 C\n0.141145 0.312119 0.247564 C\n0.641145 0.812119 0.252436 C\n0.644119 0.653467 0.860017 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Cl\n0.979399 0.411889 0.735702 Cl\n0.743543 0.013384 0.174353 Cl\n0.243543 0.513384 0.325647 Cl\n0.256457 0.986616 0.825647 Cl\n0.756457 0.486616 0.674353 Cl\n0.507938 0.955937 0.099857 Cl\n0.007938 0.455937 0.400143 Cl\n0.492062 0.044063 0.900143 Cl\n0.992062 0.544063 0.599857 Cl\n",
"nsites": 300,
"nelements": 3,
"elements": [
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"C",
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],
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"density": 1.7962174309901986,
"density_atomic": 0.06290561958863433,
"volume": 4769.049283066014,
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"formula_full": "Ti12 C240 Cl48",
"formula_reduced": "Ti(C5Cl)4",
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"energy": -2430.27790533,
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"updated_at": "2021-11-28T01:37:54.104000Z",
"spacegroup": 14
},
{
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"spacegroup": 5
},
{
"id": "mp-1191089",
"created_at": "2022-09-04T14:47:07.102041Z",
"structure_string": "Mg12 Mn4 Ni8\n1.0\n0.000000 5.724033 5.724033\n5.724033 0.000000 5.724033\n5.724033 5.724033 0.000000\nMg Mn Ni\n12 4 8\ndirect\n0.800932 0.800932 0.199068 Mg\n0.199068 0.199068 0.800932 Mg\n0.800932 0.199068 0.800932 Mg\n0.199068 0.800932 0.199068 Mg\n0.199068 0.800932 0.800932 Mg\n0.800932 0.199068 0.199068 Mg\n0.449068 0.449068 0.050932 Mg\n0.050932 0.050932 0.449068 Mg\n0.449068 0.050932 0.449068 Mg\n0.050932 0.449068 0.050932 Mg\n0.050932 0.449068 0.449068 Mg\n0.449068 0.050932 0.050932 Mg\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.625000 0.625000 Mn\n0.739795 0.420068 0.420068 Ni\n0.420068 0.739795 0.420068 Ni\n0.420068 0.420068 0.739795 Ni\n0.420068 0.420068 0.420068 Ni\n0.510205 0.829932 0.829932 Ni\n0.829932 0.510205 0.829932 Ni\n0.829932 0.829932 0.510205 Ni\n0.829932 0.829932 0.829932 Ni\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Mg-Mn-Ni",
"density": 4.342739105608683,
"density_atomic": 0.0639845116203766,
"volume": 375.0907741922488,
"volume_molar": 9.411872666512908,
"formula_full": "Mg12 Mn4 Ni8",
"formula_reduced": "Mg3MnNi2",
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"spacegroup": 227
},
{
"id": "mp-1212850",
"created_at": "2022-09-04T14:47:08.896480Z",
"structure_string": "Dy2 Cr2 Te2 O12\n1.0\n-2.703187 -4.682057 0.000000\n-2.703187 4.682057 0.000000\n0.000000 0.000000 -8.654253\nDy Cr Te O\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.956980 0.310704 0.875845 O\n0.043020 0.689296 0.124155 O\n0.353724 0.043020 0.875845 O\n0.353724 0.310704 0.624155 O\n0.646276 0.956980 0.124155 O\n0.646276 0.689296 0.375845 O\n0.689296 0.646276 0.875845 O\n0.689296 0.043020 0.624155 O\n0.310704 0.353724 0.124155 O\n0.310704 0.956980 0.375845 O\n0.956980 0.646276 0.624155 O\n0.043020 0.353724 0.375845 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "Cr-Dy-O-Te",
"density": 6.641597333822151,
"density_atomic": 0.0821675117159178,
"volume": 219.0646841324875,
"volume_molar": 7.329102018837657,
"formula_full": "Dy2 Cr2 Te2 O12",
"formula_reduced": "DyCrTeO6",
"formula_anonymous": "ABCD6",
"energy": -135.31871422,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:54.128000Z",
"spacegroup": 163
}
]
}