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{
"id": "mp-1232057",
"created_at": "2022-09-04T14:48:06.071119Z",
"structure_string": "Sm4 Mg2 Se8\n1.0\n-4.344591 4.344591 4.551909\n4.344591 -4.344591 4.551909\n4.344591 4.344591 -4.551909\nSm Mg Se\n4 2 8\ndirect\n0.875000 0.756243 0.381243 Sm\n0.506243 0.125000 0.881243 Sm\n0.375000 0.493757 0.618757 Sm\n0.243757 0.625000 0.118757 Sm\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.506584 0.376955 0.264744 Se\n0.758160 0.493416 0.870370 Se\n0.112210 0.241840 0.735256 Se\n0.623045 0.887790 0.129630 Se\n0.243416 0.008160 0.370370 Se\n0.991840 0.362210 0.235256 Se\n0.637790 0.873045 0.629630 Se\n0.126955 0.756584 0.764744 Se\n",
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{
"id": "mp-1212712",
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"structure_string": "Fe1 S2 N1 O8\n1.0\n2.465900 -4.271064 0.000000\n2.465900 4.271064 0.000000\n0.000000 0.000000 8.584916\nFe S N O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.207548 S\n0.666667 0.333333 0.792452 S\n0.000000 0.000000 0.500000 N\n0.087418 0.354900 0.146847 O\n0.645100 0.732518 0.146847 O\n0.354900 0.087418 0.853153 O\n0.267482 0.912582 0.146847 O\n0.732518 0.645100 0.853153 O\n0.912582 0.267482 0.853153 O\n0.333333 0.666667 0.376824 O\n0.666667 0.333333 0.623176 O\n",
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"updated_at": "2021-11-28T01:38:26.280000Z",
"spacegroup": 150
},
{
"id": "mp-1223876",
"created_at": "2022-09-04T14:48:06.076448Z",
"structure_string": "K2 Th1 F6\n1.0\n-2.105363 3.096375 6.332087\n2.105363 -3.096375 6.332087\n2.105363 3.096375 -6.332087\nK Th F\n2 1 6\ndirect\n0.669847 0.669847 0.000000 K\n0.330153 0.330153 0.000000 K\n0.000000 0.000000 0.000000 Th\n0.795709 0.500000 0.295709 F\n0.368030 0.141996 0.226034 F\n0.084039 0.858004 0.226034 F\n0.204291 0.500000 0.704291 F\n0.915961 0.141996 0.773966 F\n0.631970 0.858004 0.773966 F\n",
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"elements": [
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"density": 4.266365253685502,
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"formula_full": "K2 Th1 F6",
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"spacegroup": 71
},
{
"id": "mp-1273164",
"created_at": "2022-09-04T14:48:06.147881Z",
"structure_string": "Li16 Co4 O4 F20\n1.0\n0.001171 -0.000788 3.718972\n9.026102 2.653807 0.001877\n-0.862337 13.130902 -0.003470\nLi Co O F\n16 4 4 20\ndirect\n0.999509 0.363849 0.126926 Li\n0.998180 0.365385 0.628241 Li\n0.499506 0.863738 0.376313 Li\n0.499731 0.862923 0.878190 Li\n0.000792 0.635320 0.873053 Li\n0.999734 0.636239 0.373327 Li\n0.499824 0.136265 0.123312 Li\n0.499102 0.137629 0.623625 Li\n0.999328 0.334760 0.928901 Li\n0.999623 0.333938 0.429592 Li\n0.499713 0.834328 0.178317 Li\n0.500682 0.834646 0.680571 Li\n0.999559 0.667192 0.070403 Li\n0.000043 0.664554 0.572745 Li\n0.499445 0.167158 0.320922 Li\n0.498431 0.164517 0.821408 Li\n0.499792 0.500695 0.249897 Co\n0.999550 0.999256 0.501337 Co\n0.499301 0.499502 0.750959 Co\n0.999494 0.000834 0.999694 Co\n0.999691 0.499587 0.750861 O\n0.999612 0.500740 0.250076 O\n0.499405 0.001121 0.998853 O\n0.499619 0.998739 0.502583 O\n0.000020 0.499603 0.000153 F\n0.999343 0.500684 0.500586 F\n0.499597 0.000540 0.250264 F\n0.499651 0.999784 0.750520 F\n0.499000 0.356741 0.883113 F\n0.499540 0.351158 0.385558 F\n0.999587 0.850672 0.135354 F\n0.000416 0.846283 0.636208 F\n0.499622 0.650023 0.114413 F\n0.500403 0.641870 0.618427 F\n0.999508 0.148863 0.366122 F\n0.998712 0.153666 0.864250 F\n0.999958 0.815540 0.930799 F\n0.999701 0.816642 0.432220 F\n0.499625 0.317664 0.181785 F\n0.496598 0.318837 0.681924 F\n0.999653 0.185242 0.068574 F\n0.998787 0.183200 0.569948 F\n0.499477 0.683079 0.319023 F\n0.502397 0.680918 0.818808 F\n",
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"density_atomic": 0.09793306093104415,
"volume": 449.2864777399425,
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"formula_full": "Li16 Co4 O4 F20",
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{
"id": "mp-1197795",
"created_at": "2022-09-04T14:48:06.472791Z",
"structure_string": "Rb8 B40 H100 N20\n1.0\n9.092910 0.000000 0.000000\n0.000000 14.444120 0.000000\n0.000000 0.000000 14.445495\nRb B H N\n8 40 100 20\ndirect\n0.986609 0.841855 0.570609 Rb\n0.513391 0.658145 0.070609 Rb\n0.486609 0.158145 0.429391 Rb\n0.013391 0.341855 0.929391 Rb\n0.013391 0.158145 0.429391 Rb\n0.486609 0.341855 0.929391 Rb\n0.513391 0.841855 0.570609 Rb\n0.986609 0.658145 0.070609 Rb\n0.250000 0.659986 0.684680 B\n0.250000 0.840014 0.184680 B\n0.750000 0.340014 0.315320 B\n0.750000 0.159986 0.815320 B\n0.250000 0.538995 0.912141 B\n0.250000 0.961005 0.412141 B\n0.750000 0.461005 0.087859 B\n0.750000 0.038995 0.587859 B\n0.149312 0.680097 0.781808 B\n0.350688 0.819903 0.281808 B\n0.649312 0.319903 0.218192 B\n0.850688 0.180097 0.718192 B\n0.850688 0.319903 0.218192 B\n0.649312 0.180097 0.718192 B\n0.350688 0.680097 0.781808 B\n0.149312 0.819903 0.281808 B\n0.149217 0.568106 0.722184 B\n0.350783 0.931894 0.222184 B\n0.649217 0.431894 0.277816 B\n0.850783 0.068106 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H\n0.561100 0.242480 0.716355 H\n0.438900 0.742480 0.783645 H\n0.061100 0.757520 0.283645 H\n0.060396 0.532292 0.671499 H\n0.439604 0.967708 0.171499 H\n0.560396 0.467708 0.328501 H\n0.939604 0.032292 0.828501 H\n0.939604 0.467708 0.328501 H\n0.560396 0.032292 0.828501 H\n0.439604 0.532292 0.671499 H\n0.060396 0.967708 0.171499 H\n0.250000 0.413444 0.789346 H\n0.250000 0.086556 0.289346 H\n0.750000 0.586556 0.210654 H\n0.750000 0.913444 0.710654 H\n0.982989 0.561693 0.869446 H\n0.517011 0.938307 0.369446 H\n0.482989 0.438307 0.130554 H\n0.017011 0.061693 0.630554 H\n0.017011 0.438307 0.130554 H\n0.482989 0.061693 0.630554 H\n0.517011 0.561693 0.869446 H\n0.982989 0.938307 0.369446 H\n0.250000 0.710157 0.948407 H\n0.250000 0.789843 0.448407 H\n0.750000 0.289843 0.051593 H\n0.750000 0.210157 0.551593 H\n0.087373 0.661859 0.423032 H\n0.412627 0.838141 0.923032 H\n0.587373 0.338141 0.576968 H\n0.912627 0.161859 0.076968 H\n0.912627 0.338141 0.576968 H\n0.587373 0.161859 0.076968 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N\n0.750000 0.690253 0.653487 N\n0.750000 0.809747 0.153487 N\n0.250000 0.309747 0.346513 N\n0.250000 0.190253 0.846513 N\n0.250000 0.920259 0.715209 N\n0.250000 0.579741 0.215209 N\n0.750000 0.079741 0.284791 N\n0.750000 0.420259 0.784791 N\n",
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"formula_full": "Rb8 B40 H100 N20",
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{
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"structure_string": "Ba2 Tb2 Fe8 O14\n1.0\n-3.189246 -5.523938 0.000000\n-3.189246 5.523938 0.000000\n0.000000 0.000000 -10.765519\nBa Tb Fe O\n2 2 8 14\ndirect\n0.666667 0.333333 0.534079 Ba\n0.333333 0.666667 0.034079 Ba\n0.666667 0.333333 0.940482 Tb\n0.333333 0.666667 0.440482 Tb\n0.188855 0.377709 0.738705 Fe\n0.188855 0.811145 0.738705 Fe\n0.811145 0.622291 0.238705 Fe\n0.622291 0.811145 0.738705 Fe\n0.811145 0.188855 0.238705 Fe\n0.377709 0.188855 0.238705 Fe\n0.000000 0.000000 0.985822 Fe\n0.000000 0.000000 0.485822 Fe\n0.000000 0.000000 0.807734 O\n0.000000 0.000000 0.307734 O\n0.156978 0.313955 0.559578 O\n0.156978 0.843022 0.559578 O\n0.843022 0.686045 0.059578 O\n0.686045 0.843022 0.559578 O\n0.843022 0.156978 0.059578 O\n0.313955 0.156978 0.059578 O\n0.492336 0.984672 0.836612 O\n0.492336 0.507664 0.836612 O\n0.507664 0.015328 0.336612 O\n0.015328 0.507664 0.836612 O\n0.507664 0.492336 0.336612 O\n0.984672 0.492336 0.336612 O\n",
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{
"id": "mp-755070",
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"structure_string": "Ce2 Sm2 O4\n1.0\n0.000431 4.973515 0.000397\n2.492331 -2.486145 4.977084\n4.983852 0.000431 0.000620\nCe Sm O\n2 2 4\ndirect\n0.246277 0.498539 0.249792 Ce\n0.496583 0.997843 0.502777 Ce\n0.996988 0.997720 0.002677 Sm\n0.748313 0.498293 0.749895 Sm\n0.745292 0.498873 0.250346 O\n0.245077 0.491686 0.748723 O\n0.498542 0.000480 0.003303 O\n0.995799 0.997313 0.502128 O\n",
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{
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}