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{
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"results": [
{
"id": "mp-19839",
"created_at": "2022-09-04T14:41:55.277368Z",
"structure_string": "La1 Ga2\n1.0\n2.164450 -3.748937 0.000000\n2.164450 3.748937 0.000000\n0.000000 0.000000 4.453790\nLa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
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{
"id": "mp-1402635",
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"structure_string": "Ca1 Co4 S8\n1.0\n6.474020 -3.391155 0.000000\n6.474020 3.391155 0.000000\n4.697700 0.000000 5.598615\nCa Co S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.268143 0.773338 0.773338 S\n0.226662 0.226662 0.731857 S\n0.731857 0.226662 0.226662 S\n0.226662 0.731857 0.226662 S\n0.271830 0.271830 0.271830 S\n0.728170 0.728170 0.728170 S\n0.773338 0.268143 0.773338 S\n0.773338 0.773338 0.268143 S\n",
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{
"id": "mp-1246259",
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"structure_string": "Sr2 Mn14 N20\n1.0\n6.957322 0.000000 0.075070\n0.000000 6.837799 0.000000\n-2.582576 0.000000 9.748307\nSr Mn N\n2 14 20\ndirect\n0.896832 0.034512 0.617426 Sr\n0.896832 0.965488 0.117426 Sr\n0.543820 0.008347 0.834040 Mn\n0.543820 0.991653 0.334040 Mn\n0.358144 0.020178 0.013750 Mn\n0.358144 0.979822 0.513750 Mn\n0.100032 0.404969 0.077678 Mn\n0.100032 0.595031 0.577678 Mn\n0.681273 0.385985 0.975932 Mn\n0.681273 0.614015 0.475932 Mn\n0.865964 0.651237 0.814251 Mn\n0.865964 0.348763 0.314251 Mn\n0.306625 0.611795 0.897283 Mn\n0.306625 0.388205 0.397283 Mn\n0.470574 0.375319 0.693214 Mn\n0.470574 0.624681 0.193214 Mn\n0.762075 0.878482 0.842702 N\n0.762075 0.121518 0.342702 N\n0.559388 0.160195 0.983135 N\n0.559388 0.839805 0.483135 N\n0.347545 0.859616 0.867019 N\n0.347545 0.140384 0.367019 N\n0.168351 0.173060 0.029292 N\n0.168351 0.826940 0.529292 N\n0.261393 0.494357 0.732712 N\n0.261393 0.505643 0.232712 N\n0.447999 0.115278 0.668291 N\n0.447999 0.884722 0.168291 N\n0.877034 0.365711 0.135878 N\n0.877034 0.634289 0.635878 N\n0.076225 0.590210 0.948321 N\n0.076225 0.409790 0.448321 N\n0.696707 0.459903 0.802447 N\n0.696707 0.540097 0.302447 N\n0.522317 0.542717 0.035930 N\n0.522317 0.457283 0.535930 N\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Mn-N-Sr",
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"volume": 465.07963239935026,
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"formula_full": "Sr2 Mn14 N20",
"formula_reduced": "SrMn7N10",
"formula_anonymous": "AB7C10",
"energy": -314.16425795,
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"spacegroup": 7
},
{
"id": "mp-355",
"created_at": "2022-09-04T14:41:05.273600Z",
"structure_string": "Nd20 Si16\n1.0\n7.894454 0.000000 0.000000\n0.000000 7.894454 0.000000\n0.000000 0.000000 15.137412\nNd Si\n20 16\ndirect\n0.481231 0.372769 0.125967 Nd\n0.981231 0.127231 0.624033 Nd\n0.872769 0.018769 0.875967 Nd\n0.127231 0.981231 0.375967 Nd\n0.518769 0.627231 0.625967 Nd\n0.372769 0.481231 0.874033 Nd\n0.627231 0.518769 0.374033 Nd\n0.018769 0.872769 0.124033 Nd\n0.622747 0.988588 0.448210 Nd\n0.377253 0.011412 0.948210 Nd\n0.988588 0.622747 0.551790 Nd\n0.488588 0.877253 0.198210 Nd\n0.511412 0.122747 0.698210 Nd\n0.877253 0.488588 0.801790 Nd\n0.122747 0.511412 0.301790 Nd\n0.011412 0.377253 0.051790 Nd\n0.308602 0.308602 0.500000 Nd\n0.191398 0.808602 0.750000 Nd\n0.808602 0.191398 0.250000 Nd\n0.691398 0.691398 0.000000 Nd\n0.287827 0.922574 0.559725 Si\n0.712173 0.077426 0.059725 Si\n0.922574 0.287827 0.440275 Si\n0.422574 0.212173 0.309725 Si\n0.577426 0.787827 0.809725 Si\n0.212173 0.422574 0.690275 Si\n0.787827 0.577426 0.190275 Si\n0.077426 0.712173 0.940275 Si\n0.805654 0.830569 0.701242 Si\n0.194346 0.169431 0.201242 Si\n0.830569 0.805654 0.298758 Si\n0.330569 0.694346 0.451242 Si\n0.669431 0.305654 0.951242 Si\n0.694346 0.330569 0.548758 Si\n0.305654 0.669431 0.048758 Si\n0.169431 0.194346 0.798758 Si\n",
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"elements": [
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"density": 5.868754711158372,
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"volume": 943.3999055444325,
"volume_molar": 15.78135284488688,
"formula_full": "Nd20 Si16",
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"formula_anonymous": "A4B5",
"energy": -205.71561546,
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"updated_at": "2021-11-28T01:34:57.159000Z",
"spacegroup": 92
},
{
"id": "mp-1224783",
"created_at": "2022-09-04T14:41:10.313713Z",
"structure_string": "Gd3 Dy3 Ni6\n1.0\n4.237214 0.000000 0.000000\n0.000000 5.465012 0.000000\n0.000000 1.318423 10.606250\nGd Dy Ni\n3 3 6\ndirect\n0.000000 0.583194 0.212488 Gd\n0.500000 0.258122 0.453306 Gd\n0.000000 0.741562 0.547676 Gd\n0.500000 0.104387 0.118220 Dy\n0.000000 0.896077 0.880746 Dy\n0.500000 0.416325 0.787904 Dy\n0.500000 0.620669 0.023302 Ni\n0.000000 0.378591 0.974980 Ni\n0.500000 0.788792 0.358279 Ni\n0.000000 0.212001 0.642854 Ni\n0.500000 0.946471 0.692106 Ni\n0.000000 0.053807 0.308136 Ni\n",
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],
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"density": 8.866543371922246,
"density_atomic": 0.04885937057581348,
"volume": 245.6028364380993,
"volume_molar": 12.325457100712423,
"formula_full": "Gd3 Dy3 Ni6",
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"formula_anonymous": "ABC2",
"energy": -95.89986011,
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},
{
"id": "mp-1217694",
"created_at": "2022-09-04T14:41:07.171918Z",
"structure_string": "Tb2 Ga3 Cu1\n1.0\n-2.191469 -3.796858 0.000020\n-2.191530 3.796893 -0.000018\n0.000003 0.000038 -7.232500\nTb Ga Cu\n2 3 1\ndirect\n0.999994 0.000005 0.731608 Tb\n0.999992 0.000006 0.260439 Tb\n0.333374 0.666630 0.475554 Ga\n0.333342 0.666663 0.045862 Ga\n0.666655 0.333343 0.950678 Ga\n0.666644 0.333353 0.535858 Cu\n",
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],
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"density": 8.147627144368757,
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"volume": 120.36110622977618,
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"formula_full": "Tb2 Ga3 Cu1",
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{
"id": "mp-566185",
"created_at": "2022-09-04T14:41:10.329058Z",
"structure_string": "Rb4 Mo30 S38\n1.0\n17.549212 -5.175421 0.000000\n17.549212 5.175421 0.000000\n16.022933 0.000000 8.833200\nRb Mo S\n4 30 38\ndirect\n0.143249 0.143249 0.143249 Rb\n0.356751 0.356751 0.356751 Rb\n0.643249 0.643249 0.643249 Rb\n0.856751 0.856751 0.856751 Rb\n0.779473 0.189873 0.844318 Mo\n0.810127 0.155682 0.220527 Mo\n0.189873 0.844318 0.779473 Mo\n0.382481 0.491639 0.688873 Mo\n0.098340 0.250000 0.401660 Mo\n0.279473 0.344318 0.689873 Mo\n0.311127 0.617519 0.508361 Mo\n0.882481 0.188873 0.991639 Mo\n0.844318 0.779473 0.189873 Mo\n0.117519 0.811127 0.008361 Mo\n0.344318 0.689873 0.279473 Mo\n0.250000 0.401660 0.098340 Mo\n0.508361 0.311127 0.617519 Mo\n0.310127 0.720527 0.655682 Mo\n0.750000 0.598340 0.901660 Mo\n0.617519 0.508361 0.311127 Mo\n0.689873 0.279473 0.344318 Mo\n0.008361 0.117519 0.811127 Mo\n0.155682 0.220527 0.810127 Mo\n0.598340 0.901660 0.750000 Mo\n0.401660 0.098340 0.250000 Mo\n0.188873 0.991639 0.882481 Mo\n0.220527 0.810127 0.155682 Mo\n0.491639 0.688873 0.382481 Mo\n0.811127 0.008361 0.117519 Mo\n0.720527 0.655682 0.310127 Mo\n0.901660 0.750000 0.598340 Mo\n0.655682 0.310127 0.720527 Mo\n0.688873 0.382481 0.491639 Mo\n0.991639 0.882481 0.188873 Mo\n0.276324 0.954226 0.710875 S\n0.214276 0.214276 0.214276 S\n0.954226 0.710875 0.276324 S\n0.210875 0.454226 0.776324 S\n0.435965 0.435965 0.435965 S\n0.285724 0.285724 0.285724 S\n0.051006 0.702530 0.395249 S\n0.297470 0.604751 0.948994 S\n0.551006 0.895249 0.202530 S\n0.395249 0.051006 0.702530 S\n0.477192 0.750000 0.022808 S\n0.545774 0.223676 0.789125 S\n0.202530 0.551006 0.895249 S\n0.776324 0.210875 0.454226 S\n0.104751 0.797470 0.448994 S\n0.022808 0.477192 0.750000 S\n0.710875 0.276324 0.954226 S\n0.789125 0.545774 0.223676 S\n0.714276 0.714276 0.714276 S\n0.564035 0.564035 0.564035 S\n0.250000 0.977192 0.522808 S\n0.785724 0.785724 0.785724 S\n0.448994 0.104751 0.797470 S\n0.289125 0.723676 0.045774 S\n0.522808 0.250000 0.977192 S\n0.935965 0.935965 0.935965 S\n0.750000 0.022808 0.477192 S\n0.895249 0.202530 0.551006 S\n0.948994 0.297470 0.604751 S\n0.723676 0.045774 0.289125 S\n0.064035 0.064035 0.064035 S\n0.045774 0.289125 0.723676 S\n0.604751 0.948994 0.297470 S\n0.454226 0.776324 0.210875 S\n0.977192 0.522808 0.250000 S\n0.223676 0.789125 0.545774 S\n0.702530 0.395249 0.051006 S\n0.797470 0.448994 0.104751 S\n",
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"volume": 1604.5430124063673,
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"formula_full": "Rb4 Mo30 S38",
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"energy": -536.67687607,
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{
"id": "mp-542829",
"created_at": "2022-09-04T14:41:05.269896Z",
"structure_string": "Ho20 Si16\n1.0\n7.385687 0.000000 0.000000\n0.000000 7.666874 0.000000\n0.000000 0.000000 14.500257\nHo Si\n20 16\ndirect\n0.650616 0.987520 0.250000 Ho\n0.150616 0.512480 0.250000 Ho\n0.849384 0.487520 0.750000 Ho\n0.349384 0.012480 0.750000 Ho\n0.974182 0.817735 0.097755 Ho\n0.474182 0.682265 0.402245 Ho\n0.525818 0.317735 0.902245 Ho\n0.025818 0.182265 0.597755 Ho\n0.025818 0.182265 0.902245 Ho\n0.525818 0.317735 0.597755 Ho\n0.474182 0.682265 0.097755 Ho\n0.974182 0.817735 0.402245 Ho\n0.680744 0.820472 0.876813 Ho\n0.180744 0.679528 0.623187 Ho\n0.819256 0.320472 0.123187 Ho\n0.319256 0.179528 0.376813 Ho\n0.319256 0.179528 0.123187 Ho\n0.819256 0.320472 0.376813 Ho\n0.180744 0.679528 0.876813 Ho\n0.680744 0.820472 0.623187 Ho\n0.768952 0.628228 0.250000 Si\n0.268952 0.871772 0.250000 Si\n0.731048 0.128228 0.750000 Si\n0.231048 0.371772 0.750000 Si\n0.022851 0.103236 0.250000 Si\n0.522851 0.396764 0.250000 Si\n0.477149 0.603236 0.750000 Si\n0.977149 0.896764 0.750000 Si\n0.851825 0.528704 0.960213 Si\n0.351825 0.971296 0.539787 Si\n0.648175 0.028704 0.039787 Si\n0.148175 0.471296 0.460213 Si\n0.148175 0.471296 0.039787 Si\n0.648175 0.028704 0.460213 Si\n0.351825 0.971296 0.960213 Si\n0.851825 0.528704 0.539787 Si\n",
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{
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"created_at": "2022-09-04T14:41:10.334579Z",
"structure_string": "Pr1 As1\n1.0\n0.000000 3.046986 3.046986\n3.046986 0.000000 3.046986\n3.046986 3.046986 0.000000\nPr As\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 As\n",
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{
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},
{
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},
{
"id": "mp-1225961",
"created_at": "2022-09-04T14:41:05.251719Z",
"structure_string": "Cs2 Sc2 Cu2 F12\n1.0\n-3.688988 3.859280 5.457371\n3.688988 -3.859280 5.457371\n3.688988 3.859280 -5.457371\nCs Sc Cu F\n2 2 2 12\ndirect\n0.362701 0.612701 0.750000 Cs\n0.637299 0.387299 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.313417 0.063417 0.250000 F\n0.943186 0.693186 0.250000 F\n0.326685 0.678343 0.245091 F\n0.933252 0.081594 0.254909 F\n0.326685 0.081594 0.648342 F\n0.933252 0.678343 0.851658 F\n0.686583 0.936583 0.750000 F\n0.056814 0.306814 0.750000 F\n0.673315 0.321657 0.754909 F\n0.066748 0.918406 0.745091 F\n0.673315 0.918406 0.351658 F\n0.066748 0.321657 0.148342 F\n",
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]
}