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{
"id": "mp-1210213",
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"structure_string": "Na3 Sm2 Si2 Se6\n1.0\n6.353750 3.674047 0.000000\n-6.353750 3.674047 0.000000\n0.000000 2.448442 7.275392\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.670990 0.329010 0.000000 Na\n0.329010 0.670990 0.000000 Na\n0.834129 0.165871 0.500000 Sm\n0.165871 0.834129 0.500000 Sm\n0.556191 0.556191 0.330286 Si\n0.443809 0.443809 0.669714 Si\n0.234343 0.234343 0.262325 Se\n0.765657 0.765657 0.737675 Se\n0.577602 0.921864 0.265302 Se\n0.422398 0.078136 0.734698 Se\n0.078136 0.422398 0.734698 Se\n0.921864 0.577602 0.265302 Se\n",
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{
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"structure_string": "Nb12 In4 Se48\n1.0\n9.224786 0.000000 0.000000\n0.000000 9.224786 0.000000\n0.000000 0.000000 19.651513\nNb In Se\n12 4 48\ndirect\n0.500000 0.000000 0.750000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.000000 0.250000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.592292 Nb\n0.500000 0.000000 0.592292 Nb\n0.500000 0.000000 0.907708 Nb\n0.000000 0.500000 0.907708 Nb\n0.000000 0.500000 0.407708 Nb\n0.500000 0.000000 0.407708 Nb\n0.500000 0.000000 0.092292 Nb\n0.000000 0.500000 0.092292 Nb\n0.500000 0.500000 0.664186 In\n0.000000 0.000000 0.835814 In\n0.500000 0.500000 0.335814 In\n0.000000 0.000000 0.164186 In\n0.931195 0.276200 0.670630 Se\n0.068805 0.723800 0.670630 Se\n0.776200 0.431195 0.829370 Se\n0.276200 0.068805 0.670630 Se\n0.723800 0.931195 0.670630 Se\n0.568805 0.776200 0.829370 Se\n0.431195 0.223800 0.829370 Se\n0.223800 0.568805 0.829370 Se\n0.068805 0.723800 0.329370 Se\n0.931195 0.276200 0.329370 Se\n0.223800 0.568805 0.170630 Se\n0.723800 0.931195 0.329370 Se\n0.276200 0.068805 0.329370 Se\n0.431195 0.223800 0.170630 Se\n0.568805 0.776200 0.170630 Se\n0.194975 0.618154 0.500000 Se\n0.776200 0.431195 0.170630 Se\n0.705974 0.118751 0.165998 Se\n0.294026 0.881249 0.165998 Se\n0.618751 0.205974 0.334002 Se\n0.381249 0.794026 0.334002 Se\n0.881249 0.705974 0.165998 Se\n0.794026 0.618751 0.334002 Se\n0.205974 0.381249 0.334002 Se\n0.881249 0.705974 0.834002 Se\n0.294026 0.881249 0.834002 Se\n0.705974 0.118751 0.834002 Se\n0.381249 0.794026 0.665998 Se\n0.618751 0.205974 0.665998 Se\n0.118751 0.294026 0.834002 Se\n0.205974 0.381249 0.665998 Se\n0.794026 0.618751 0.665998 Se\n0.214212 0.456389 0.000000 Se\n0.543611 0.214212 0.000000 Se\n0.456389 0.785788 0.000000 Se\n0.714212 0.043611 0.500000 Se\n0.285788 0.956389 0.500000 Se\n0.785788 0.543611 0.000000 Se\n0.956389 0.714212 0.500000 Se\n0.043611 0.285788 0.500000 Se\n0.881846 0.305025 0.000000 Se\n0.694975 0.881846 0.000000 Se\n0.305025 0.118154 0.000000 Se\n0.381846 0.194975 0.500000 Se\n0.618154 0.805025 0.500000 Se\n0.118154 0.694975 0.000000 Se\n0.805025 0.381846 0.500000 Se\n0.118751 0.294026 0.165998 Se\n",
"nsites": 64,
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"elements": [
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"formula_full": "Nb12 In4 Se48",
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"spacegroup": 128
},
{
"id": "mp-1212216",
"created_at": "2022-09-04T14:48:17.352918Z",
"structure_string": "Ho10 Ge4 Sb4\n1.0\n3.940907 -7.542348 0.000000\n3.940907 7.542348 0.000000\n0.000000 0.000000 7.911744\nHo Ge Sb\n10 4 4\ndirect\n0.036645 0.292640 0.336117 Ho\n0.963355 0.707360 0.663883 Ho\n0.463355 0.207360 0.836117 Ho\n0.792640 0.536645 0.163883 Ho\n0.536645 0.792640 0.163883 Ho\n0.207360 0.463355 0.836117 Ho\n0.707360 0.963355 0.663883 Ho\n0.292640 0.036645 0.336117 Ho\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.361415 0.361415 0.137431 Ge\n0.638585 0.638585 0.862569 Ge\n0.138585 0.138585 0.637431 Ge\n0.861415 0.861415 0.362569 Ge\n0.795046 0.204954 0.000000 Sb\n0.204954 0.795046 0.000000 Sb\n0.704954 0.295046 0.500000 Sb\n0.295046 0.704954 0.500000 Sb\n",
"nsites": 18,
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"elements": [
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"density": 8.568337740414467,
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"volume": 470.33248414664087,
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"formula_full": "Ho10 Ge4 Sb4",
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{
"id": "mp-620271",
"created_at": "2022-09-04T14:47:44.539924Z",
"structure_string": "Gd1 Bi1 Pt1\n1.0\n0.000000 3.396879 3.396879\n3.396879 0.000000 3.396879\n3.396879 3.396879 0.000000\nGd Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Pt\n",
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"volume": 78.39172608827533,
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"formula_full": "Gd1 Bi1 Pt1",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:38:23.791000Z",
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},
{
"id": "mp-1204833",
"created_at": "2022-09-04T14:45:40.499052Z",
"structure_string": "Rb8 Ru4 N4 Cl20 O12\n1.0\n6.730139 0.000000 0.000000\n0.000000 11.708590 0.000000\n0.000000 3.273794 15.917366\nRb Ru N Cl O\n8 4 4 20 12\ndirect\n0.468156 0.545259 0.160516 Rb\n0.968156 0.454741 0.339484 Rb\n0.531844 0.454741 0.839484 Rb\n0.031844 0.545259 0.660516 Rb\n0.372026 0.173512 0.423766 Rb\n0.872026 0.826488 0.076234 Rb\n0.627974 0.826488 0.576234 Rb\n0.127974 0.173512 0.923766 Rb\n0.171548 0.775996 0.409672 Ru\n0.671548 0.224004 0.090328 Ru\n0.828452 0.224004 0.590328 Ru\n0.328452 0.775996 0.909672 Ru\n0.507483 0.090574 0.139968 N\n0.007483 0.909426 0.360032 N\n0.492517 0.909426 0.860032 N\n0.992517 0.090574 0.639968 N\n0.358682 0.837178 0.043121 Cl\n0.858682 0.162822 0.456879 Cl\n0.641318 0.162822 0.956879 Cl\n0.141318 0.837178 0.543121 Cl\n0.175411 0.736215 0.272058 Cl\n0.675411 0.263785 0.227942 Cl\n0.824589 0.263785 0.727942 Cl\n0.324589 0.736215 0.772058 Cl\n0.365603 0.326140 0.058827 Cl\n0.865603 0.673860 0.441173 Cl\n0.634397 0.673860 0.941173 Cl\n0.134397 0.326140 0.558827 Cl\n0.947367 0.092680 0.124991 Cl\n0.447367 0.907320 0.375009 Cl\n0.052633 0.907320 0.875009 Cl\n0.552633 0.092680 0.624991 Cl\n0.968977 0.554641 0.136350 Cl\n0.468977 0.445359 0.363650 Cl\n0.031023 0.445359 0.863650 Cl\n0.531023 0.554641 0.636350 Cl\n0.315595 0.656518 0.450927 O\n0.815595 0.343482 0.049073 O\n0.684405 0.343482 0.549073 O\n0.184405 0.656518 0.950927 O\n0.410237 0.013165 0.172690 O\n0.910237 0.986835 0.327310 O\n0.589763 0.986835 0.827310 O\n0.089763 0.013165 0.672690 O\n0.161787 0.259934 0.263792 O\n0.661787 0.740066 0.236208 O\n0.838213 0.740066 0.736208 O\n0.338213 0.259934 0.763792 O\n",
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"formula_full": "Rb8 Ru4 N4 Cl20 O12",
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},
{
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"created_at": "2022-09-04T14:45:12.401136Z",
"structure_string": "Ba1 La1 Mg14\n1.0\n6.721637 0.020668 0.000000\n-3.342919 5.790105 0.000000\n0.000000 0.000000 10.723849\nBa La Mg\n1 1 14\ndirect\n0.171489 0.835744 0.125000 Ba\n0.177848 0.338923 0.125000 La\n0.161843 0.330921 0.625000 Mg\n0.163776 0.831887 0.625000 Mg\n0.668423 0.333409 0.125000 Mg\n0.669164 0.333289 0.625000 Mg\n0.668423 0.835013 0.125000 Mg\n0.669164 0.835874 0.625000 Mg\n0.340689 0.175941 0.396058 Mg\n0.340689 0.175941 0.853942 Mg\n0.340689 0.664749 0.396058 Mg\n0.340689 0.664749 0.853942 Mg\n0.826495 0.163248 0.379186 Mg\n0.826495 0.163248 0.870814 Mg\n0.817063 0.658532 0.386314 Mg\n0.817063 0.658532 0.863686 Mg\n",
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{
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"created_at": "2022-09-04T14:40:39.855341Z",
"structure_string": "Er12 Ir4\n1.0\n6.318066 0.000000 0.000000\n0.000000 7.216944 0.000000\n0.000000 0.000000 9.169617\nEr Ir\n12 4\ndirect\n0.328740 0.676602 0.062671 Er\n0.171260 0.176602 0.437329 Er\n0.671260 0.323398 0.562671 Er\n0.828740 0.823398 0.937329 Er\n0.671260 0.323398 0.937329 Er\n0.828740 0.823398 0.562671 Er\n0.328740 0.676602 0.437329 Er\n0.171260 0.176602 0.062671 Er\n0.866258 0.535139 0.250000 Er\n0.633742 0.035139 0.250000 Er\n0.133742 0.464861 0.750000 Er\n0.366258 0.964861 0.750000 Er\n0.047249 0.881935 0.250000 Ir\n0.452751 0.381935 0.250000 Ir\n0.952751 0.118065 0.750000 Ir\n0.547249 0.618065 0.750000 Ir\n",
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{
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{
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{
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