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{
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"results": [
{
"id": "mp-1203732",
"created_at": "2022-09-04T14:42:43.083298Z",
"structure_string": "Lu8 Mn12 Si20\n1.0\n10.478648 0.000000 0.000000\n0.000000 10.478648 0.000000\n0.000000 0.000000 5.328854\nLu Mn Si\n8 12 20\ndirect\n0.572990 0.738098 0.500000 Lu\n0.427010 0.261902 0.500000 Lu\n0.072990 0.761902 0.000000 Lu\n0.927010 0.238098 0.000000 Lu\n0.261902 0.572990 0.500000 Lu\n0.738098 0.427010 0.500000 Lu\n0.238098 0.072990 0.000000 Lu\n0.761902 0.927010 0.000000 Lu\n0.877113 0.855392 0.500000 Mn\n0.122887 0.144608 0.500000 Mn\n0.377113 0.644608 0.000000 Mn\n0.622887 0.355392 0.000000 Mn\n0.144608 0.877113 0.500000 Mn\n0.855392 0.122887 0.500000 Mn\n0.355392 0.377113 0.000000 Mn\n0.644608 0.622887 0.000000 Mn\n0.500000 0.000000 0.250000 Mn\n0.000000 0.500000 0.750000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Mn\n0.677945 0.177945 0.250000 Si\n0.322055 0.822055 0.250000 Si\n0.177945 0.322055 0.750000 Si\n0.822055 0.677945 0.750000 Si\n0.822055 0.677945 0.250000 Si\n0.177945 0.322055 0.250000 Si\n0.677945 0.177945 0.750000 Si\n0.322055 0.822055 0.750000 Si\n0.500000 0.500000 0.248601 Si\n0.000000 0.000000 0.748601 Si\n0.500000 0.500000 0.751399 Si\n0.000000 0.000000 0.251399 Si\n0.685667 0.975962 0.500000 Si\n0.314333 0.024038 0.500000 Si\n0.185667 0.524038 0.000000 Si\n0.814333 0.475962 0.000000 Si\n0.024038 0.685667 0.500000 Si\n0.975962 0.314333 0.500000 Si\n0.475962 0.185667 0.000000 Si\n0.524038 0.814333 0.000000 Si\n",
"nsites": 40,
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"elements": [
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"chemical_system": "Lu-Mn-Si",
"density": 7.437423334583233,
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"volume": 585.1191674638899,
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"formula_full": "Lu8 Mn12 Si20",
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"updated_at": "2021-11-28T01:36:02.384000Z",
"spacegroup": 128
},
{
"id": "mp-1077322",
"created_at": "2022-09-04T14:42:43.090424Z",
"structure_string": "Ba2 Ag4\n1.0\n-2.531562 4.130984 4.255362\n2.531562 -4.130984 4.255362\n2.531562 4.130984 -4.255362\nBa Ag\n2 4\ndirect\n0.210727 0.960727 0.250000 Ba\n0.789273 0.039273 0.750000 Ba\n0.217796 0.664268 0.553528 Ag\n0.782204 0.335732 0.446472 Ag\n0.389260 0.335732 0.053528 Ag\n0.610740 0.664268 0.946472 Ag\n",
"nsites": 6,
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"elements": [
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"density": 6.587084109801264,
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"formula_full": "Ba2 Ag4",
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"formula_anonymous": "AB2",
"energy": -16.89033929,
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"updated_at": "2021-11-28T01:35:56.593000Z",
"spacegroup": 74
},
{
"id": "mp-1218127",
"created_at": "2022-09-04T14:42:43.095326Z",
"structure_string": "Tl32 Si8 O37\n1.0\n9.958952 0.000000 0.000000\n-3.503273 12.431663 0.000000\n-0.253164 -3.939298 13.378156\nTl Si O\n32 8 37\ndirect\n0.434562 0.822560 0.330467 Tl\n0.266537 0.594977 0.620207 Tl\n0.686091 0.086296 0.085086 Tl\n0.961905 0.314126 0.828813 Tl\n0.630858 0.293231 0.464924 Tl\n0.471393 0.103974 0.787562 Tl\n0.954629 0.567230 0.261608 Tl\n0.210400 0.806164 0.013828 Tl\n0.102641 0.848879 0.277615 Tl\n0.901693 0.589127 0.503901 Tl\n0.324623 0.073012 0.002049 Tl\n0.652788 0.365140 0.739560 Tl\n0.795363 0.051570 0.843385 Tl\n0.545393 0.816411 0.097824 Tl\n0.005134 0.340975 0.574808 Tl\n0.286167 0.524310 0.334044 Tl\n0.527473 0.858252 0.602910 Tl\n0.316040 0.559265 0.861375 Tl\n0.769524 0.052788 0.353076 Tl\n0.019550 0.307250 0.087924 Tl\n0.359788 0.082280 0.503802 Tl\n0.167746 0.830834 0.759503 Tl\n0.584792 0.322212 0.217036 Tl\n0.902836 0.563186 0.996578 Tl\n0.815431 0.825701 0.437936 Tl\n0.651487 0.646844 0.675014 Tl\n0.012496 0.027017 0.162938 Tl\n0.349909 0.351886 0.016748 Tl\n0.050025 0.048483 0.641324 Tl\n0.843168 0.799565 0.932087 Tl\n0.204312 0.230574 0.361272 Tl\n0.610235 0.583088 0.145080 Tl\n0.188338 0.812260 0.508961 Si\n0.956287 0.584135 0.757774 Si\n0.393275 0.061592 0.228212 Si\n0.678478 0.329365 0.983318 Si\n0.732607 0.109958 0.596876 Si\n0.519308 0.844606 0.851168 Si\n0.928594 0.332248 0.323859 Si\n0.242395 0.598176 0.101495 Si\n0.202106 0.750915 0.391746 O\n0.896366 0.506871 0.643047 O\n0.441016 0.988428 0.124207 O\n0.699309 0.253301 0.871772 O\n0.817450 0.239827 0.662744 O\n0.551496 0.982745 0.892980 O\n0.029338 0.460748 0.380133 O\n0.301058 0.735246 0.156901 O\n0.616890 0.114414 0.512971 O\n0.435775 0.798179 0.736618 O\n0.808853 0.347927 0.247805 O\n0.134491 0.585179 0.002272 O\n0.346861 0.903481 0.560193 O\n0.128338 0.630619 0.772281 O\n0.527607 0.175846 0.279412 O\n0.839495 0.408025 0.038765 O\n0.676729 0.773400 0.569023 O\n0.841110 0.712993 0.043800 O\n0.020635 0.045854 0.311757 O\n0.460167 0.421919 0.199420 O\n0.351859 0.990572 0.310866 O\n0.143160 0.721837 0.575697 O\n0.602063 0.242194 0.049030 O\n0.889911 0.500085 0.829525 O\n0.650524 0.041216 0.676309 O\n0.429433 0.775833 0.924345 O\n0.857982 0.270305 0.408375 O\n0.160087 0.522341 0.172565 O\n0.966147 0.977943 0.010556 O\n0.262060 0.103514 0.190094 O\n0.590376 0.417892 0.977180 O\n0.895878 0.697316 0.787419 O\n0.078525 0.888341 0.515560 O\n0.020042 0.257932 0.252041 O\n0.374777 0.555692 0.052948 O\n0.676752 0.819336 0.837742 O\n0.841864 0.042985 0.539154 O\n",
"nsites": 77,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "O-Si-Tl",
"density": 7.375754350173259,
"density_atomic": 0.04648914954757088,
"volume": 1656.3004647182959,
"volume_molar": 12.953863038164922,
"formula_full": "Tl32 Si8 O37",
"formula_reduced": "Tl32Si8O37",
"formula_anonymous": "A8B32C37",
"energy": -429.31497251,
"energy_per_atom": -5.575519123506494,
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"updated_at": "2021-11-28T01:35:55.088000Z",
"spacegroup": 1
},
{
"id": "mp-19888",
"created_at": "2022-09-04T14:42:43.096106Z",
"structure_string": "Yb4 Cu4 S8\n1.0\n3.929530 0.000000 0.000000\n0.000000 6.296823 0.000000\n0.000000 0.000000 13.843124\nYb Cu S\n4 4 8\ndirect\n0.250000 0.017945 0.635835 Yb\n0.750000 0.517945 0.864165 Yb\n0.750000 0.982055 0.364165 Yb\n0.250000 0.482055 0.135835 Yb\n0.250000 0.130940 0.947041 Cu\n0.250000 0.369060 0.447041 Cu\n0.750000 0.869060 0.052959 Cu\n0.750000 0.630940 0.552959 Cu\n0.250000 0.734906 0.470768 S\n0.750000 0.265094 0.529232 S\n0.750000 0.738532 0.201624 S\n0.250000 0.765094 0.970768 S\n0.250000 0.238532 0.298376 S\n0.750000 0.234906 0.029232 S\n0.750000 0.761468 0.701624 S\n0.250000 0.261468 0.798376 S\n",
"nsites": 16,
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"elements": [
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"Cu",
"S"
],
"chemical_system": "Cu-S-Yb",
"density": 5.8313541950348355,
"density_atomic": 0.04671149629025663,
"volume": 342.5280984488047,
"volume_molar": 12.892202644461499,
"formula_full": "Yb4 Cu4 S8",
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"energy": -76.42781496,
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"updated_at": "2021-11-28T01:35:56.395000Z",
"spacegroup": 62
},
{
"id": "mp-803475",
"created_at": "2022-09-04T14:42:43.103438Z",
"structure_string": "Ti2 Mn18 O40\n1.0\n5.807202 0.000000 0.000000\n-2.899944 -5.049248 0.000000\n0.017183 3.307906 -23.817761\nTi Mn O\n2 18 40\ndirect\n0.120065 0.496280 0.875430 Ti\n0.123760 0.500728 0.374964 Ti\n0.323207 0.699569 0.975433 Mn\n0.121770 0.997616 0.874920 Mn\n0.725270 0.600529 0.674515 Mn\n0.621124 0.996546 0.874920 Mn\n0.921912 0.297299 0.774644 Mn\n0.724044 0.099612 0.674818 Mn\n0.224651 0.598543 0.674798 Mn\n0.824220 0.202424 0.475466 Mn\n0.323977 0.702098 0.475559 Mn\n0.525142 0.902290 0.575084 Mn\n0.923824 0.801031 0.274351 Mn\n0.423128 0.800017 0.274288 Mn\n0.523321 0.399042 0.075295 Mn\n0.324303 0.202025 0.475714 Mn\n0.522671 0.898870 0.075147 Mn\n0.922703 0.300536 0.274324 Mn\n0.722996 0.098428 0.174841 Mn\n0.022969 0.398803 0.075258 Mn\n0.009196 0.623793 0.923227 O\n0.455933 0.623153 0.923126 O\n0.053038 0.661847 0.721892 O\n0.451058 0.062745 0.921792 O\n0.276873 0.890847 0.833387 O\n0.965508 0.102279 0.916658 O\n0.837147 0.977497 0.627720 O\n0.234261 0.370912 0.827124 O\n0.786608 0.370725 0.827064 O\n0.611475 0.223630 0.721439 O\n0.052613 0.221694 0.721710 O\n0.654163 0.826369 0.522231 O\n0.653503 0.266876 0.522384 O\n0.477115 0.090466 0.434466 O\n0.878313 0.487839 0.633578 O\n0.792525 0.932529 0.827980 O\n0.396825 0.536937 0.627516 O\n0.571719 0.711154 0.715742 O\n0.170554 0.314008 0.516576 O\n0.440047 0.579080 0.429263 O\n0.394081 0.975807 0.628092 O\n0.593350 0.175779 0.227377 O\n0.993103 0.579664 0.429116 O\n0.212989 0.826211 0.522646 O\n0.807451 0.424030 0.320819 O\n0.076347 0.688459 0.233346 O\n0.254964 0.871001 0.320449 O\n0.369753 0.510973 0.116299 O\n0.993429 0.131866 0.429298 O\n0.769923 0.912489 0.315429 O\n0.594648 0.735041 0.227584 O\n0.194583 0.335470 0.028205 O\n0.034825 0.176584 0.227401 O\n0.634883 0.775622 0.028243 O\n0.193257 0.775610 0.028370 O\n0.410940 0.022554 0.122216 O\n0.254146 0.422854 0.320703 O\n0.852694 0.022011 0.121972 O\n0.851998 0.462920 0.122232 O\n0.676286 0.287229 0.034223 O\n",
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"formula_full": "Ti2 Mn18 O40",
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{
"id": "mp-1186472",
"created_at": "2022-09-04T14:42:43.109048Z",
"structure_string": "Pm2 Mg1 Ru1\n1.0\n0.000000 3.649274 3.649274\n3.649274 0.000000 3.649274\n3.649274 3.649274 0.000000\nPm Mg Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Pm2 Mg1 Ru1",
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"formula_anonymous": "ABC2",
"energy": -20.76245864,
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"updated_at": "2021-11-28T01:35:59.266000Z",
"spacegroup": 225
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{
"id": "mp-1222210",
"created_at": "2022-09-04T14:42:43.111807Z",
"structure_string": "Mg1 Co4 O8\n1.0\n0.000000 4.115726 4.115726\n4.115726 0.000000 4.115726\n4.115726 4.115726 0.000000\nMg Co O\n1 4 8\ndirect\n0.250000 0.250000 0.250000 Mg\n0.626747 0.626747 0.119760 Co\n0.626747 0.119760 0.626747 Co\n0.119760 0.626747 0.626747 Co\n0.626747 0.626747 0.626747 Co\n0.859877 0.859877 0.420369 O\n0.859877 0.420369 0.859877 O\n0.420369 0.859877 0.859877 O\n0.859877 0.859877 0.859877 O\n0.389227 0.389227 0.832320 O\n0.389227 0.832320 0.389227 O\n0.832320 0.389227 0.389227 O\n0.389227 0.389227 0.389227 O\n",
"nsites": 13,
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"density": 4.62113203918743,
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"volume": 139.43421589237178,
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"formula_full": "Mg1 Co4 O8",
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"formula_anonymous": "AB4C8",
"energy": -87.95366849,
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{
"id": "mp-776635",
"created_at": "2022-09-04T14:42:43.117519Z",
"structure_string": "Li4 Fe2 F10\n1.0\n2.551900 5.176077 0.000000\n-2.551900 5.176077 0.000000\n0.000000 2.689332 6.745920\nLi Fe F\n4 2 10\ndirect\n0.372491 0.341694 0.746335 Li\n0.341694 0.372491 0.246335 Li\n0.658306 0.627509 0.753665 Li\n0.627509 0.658306 0.253665 Li\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.594856 0.235611 0.956679 F\n0.235611 0.594856 0.456679 F\n0.669203 0.971864 0.645456 F\n0.028136 0.330797 0.854544 F\n0.971864 0.669203 0.145456 F\n0.330797 0.028136 0.354544 F\n0.764389 0.405144 0.543321 F\n0.177641 0.822359 0.750000 F\n0.405144 0.764389 0.043321 F\n0.822359 0.177641 0.250000 F\n",
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"density": 3.0696387590196372,
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"volume": 178.2114330399362,
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"formula_full": "Li4 Fe2 F10",
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{
"id": "mp-557510",
"created_at": "2022-09-04T14:42:43.123380Z",
"structure_string": "Cu3 Te1 S3 Cl1\n1.0\n4.039986 -3.705189 0.000000\n4.039986 3.705189 0.000000\n0.641849 0.000000 5.444074\nCu Te S Cl\n3 1 3 1\ndirect\n0.229244 0.229244 0.804022 Cu\n0.229244 0.804022 0.229244 Cu\n0.804022 0.229244 0.229244 Cu\n0.747591 0.747591 0.747591 Te\n0.528203 0.028585 0.028585 S\n0.028585 0.528203 0.028585 S\n0.028585 0.028585 0.528203 S\n0.431857 0.431857 0.431857 Cl\n",
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}