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{
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"results": [
{
"id": "mp-862984",
"created_at": "2022-09-04T14:42:46.811449Z",
"structure_string": "Pm2 B6\n1.0\n2.790532 -4.833343 0.000000\n2.790532 4.833343 0.000000\n0.000000 0.000000 3.441500\nPm B\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.892907 0.107093 0.750000 B\n0.214186 0.107093 0.750000 B\n0.892907 0.785814 0.750000 B\n0.107093 0.892907 0.250000 B\n0.785814 0.892907 0.250000 B\n0.107093 0.214186 0.250000 B\n",
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"Pm",
"B"
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"density": 6.34747641633839,
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"formula_full": "Pm2 B6",
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{
"id": "mp-1200935",
"created_at": "2022-09-04T14:46:56.739947Z",
"structure_string": "Ba8 Ga4 Sb4 Te20\n1.0\n9.785476 0.000000 0.000000\n0.000000 9.994100 0.000000\n0.000000 0.000000 13.673562\nBa Ga Sb Te\n8 4 4 20\ndirect\n0.007168 0.122224 0.825904 Ba\n0.492832 0.377776 0.325904 Ba\n0.507168 0.877776 0.174096 Ba\n0.992832 0.622224 0.674096 Ba\n0.992832 0.877776 0.174096 Ba\n0.507168 0.622224 0.674096 Ba\n0.492832 0.122224 0.825904 Ba\n0.007168 0.377776 0.325904 Ba\n0.250000 0.335245 0.600030 Ga\n0.250000 0.164755 0.100030 Ga\n0.750000 0.664755 0.399970 Ga\n0.750000 0.835245 0.899970 Ga\n0.250000 0.982881 0.528818 Sb\n0.250000 0.517119 0.028818 Sb\n0.750000 0.017119 0.471182 Sb\n0.750000 0.482881 0.971182 Sb\n0.034550 0.176932 0.560614 Te\n0.465450 0.323068 0.060614 Te\n0.534550 0.823068 0.439386 Te\n0.965450 0.676932 0.939386 Te\n0.965450 0.823068 0.439386 Te\n0.534550 0.676932 0.939386 Te\n0.465450 0.176932 0.560614 Te\n0.034550 0.323068 0.060614 Te\n0.250000 0.881210 0.724494 Te\n0.250000 0.618790 0.224494 Te\n0.750000 0.118790 0.275506 Te\n0.750000 0.381210 0.775506 Te\n0.250000 0.397251 0.787911 Te\n0.250000 0.102749 0.287911 Te\n0.750000 0.602749 0.212089 Te\n0.750000 0.897251 0.712089 Te\n0.250000 0.952394 0.989819 Te\n0.250000 0.547606 0.489819 Te\n0.750000 0.047606 0.010181 Te\n0.750000 0.452394 0.510181 Te\n",
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"elements": [
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"Te"
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"volume": 1337.2336942096854,
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"formula_full": "Ba8 Ga4 Sb4 Te20",
"formula_reduced": "Ba2GaSbTe5",
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"spacegroup": 62
},
{
"id": "mp-1185578",
"created_at": "2022-09-04T14:41:53.387791Z",
"structure_string": "Mg149 S1\n1.0\n13.774409 -7.952662 -0.000000\n0.000000 15.905325 0.000000\n0.000000 -0.000000 15.595728\nMg S\n149 1\ndirect\n0.802670 0.001898 -0.000000 Mg\n0.199229 0.001898 -0.000000 Mg\n0.199229 0.197330 -0.000000 Mg\n0.998102 0.197331 -0.000000 Mg\n0.800308 0.199692 -0.000000 Mg\n0.399385 0.199692 -0.000000 Mg\n0.600414 0.200827 -0.000000 Mg\n0.199111 0.398223 -0.000000 Mg\n0.600414 0.399586 -0.000000 Mg\n0.799174 0.399586 -0.000000 Mg\n0.000269 0.400244 -0.000000 Mg\n0.399976 0.400244 -0.000000 Mg\n0.599756 0.600024 -0.000000 Mg\n0.000269 0.600024 -0.000000 Mg\n0.399566 0.600435 -0.000000 Mg\n0.200869 0.600435 -0.000000 Mg\n0.800308 0.600615 -0.000000 Mg\n0.399566 0.799131 -0.000000 Mg\n0.601777 0.800889 -0.000000 Mg\n0.199111 0.800889 -0.000000 Mg\n0.998102 0.800771 -0.000000 Mg\n0.802670 0.800771 -0.000000 Mg\n0.599756 0.999731 -0.000000 Mg\n0.399976 0.999731 -0.000000 Mg\n0.065390 0.130779 0.164866 Mg\n0.065390 0.934610 0.164866 Mg\n0.869221 0.934611 0.164866 Mg\n0.265764 0.331962 0.165586 Mg\n0.066198 0.331962 0.165586 Mg\n0.668038 0.734236 0.165586 Mg\n0.066198 0.734236 0.165586 Mg\n0.668038 0.933802 0.165586 Mg\n0.265764 0.933802 0.165586 Mg\n0.266353 0.532705 0.165843 Mg\n0.266353 0.733647 0.165843 Mg\n0.467294 0.733647 0.165843 Mg\n0.666666 0.333333 0.165932 Mg\n0.466607 0.133617 0.166091 Mg\n0.667011 0.133618 0.166091 Mg\n0.866382 0.332988 0.166091 Mg\n0.466607 0.332989 0.166091 Mg\n0.667011 0.533392 0.166091 Mg\n0.866382 0.533392 0.166091 Mg\n0.066898 0.533449 0.166068 Mg\n0.466551 0.533450 0.166068 Mg\n0.466551 0.933102 0.166068 Mg\n0.266925 0.133463 0.167079 Mg\n0.866537 0.133463 0.167079 Mg\n0.866537 0.733074 0.167079 Mg\n0.000000 0.000000 0.331021 Mg\n0.199877 0.399756 0.332183 Mg\n0.199877 0.800123 0.332183 Mg\n0.600245 0.800123 0.332183 Mg\n0.399808 0.600192 0.332567 Mg\n0.200385 0.600192 0.332567 Mg\n0.399808 0.799614 0.332567 Mg\n0.600209 0.200419 0.332670 Mg\n0.799580 0.399791 0.332670 Mg\n0.600209 0.399791 0.332670 Mg\n0.800174 0.199826 0.332687 Mg\n0.399652 0.199826 0.332687 Mg\n0.800174 0.600348 0.332687 Mg\n0.399939 0.999775 0.333114 Mg\n0.599837 0.999776 0.333114 Mg\n0.000224 0.400164 0.333114 Mg\n0.399939 0.400164 0.333114 Mg\n0.000224 0.600061 0.333114 Mg\n0.599837 0.600061 0.333114 Mg\n0.199539 0.999793 0.333567 Mg\n0.800254 0.999793 0.333567 Mg\n0.199539 0.199746 0.333567 Mg\n0.000207 0.199746 0.333567 Mg\n0.800254 0.800461 0.333567 Mg\n0.000207 0.800461 0.333567 Mg\n0.066367 0.132735 0.500000 Mg\n0.266604 0.133302 0.500000 Mg\n0.866698 0.133302 0.500000 Mg\n0.466498 0.133046 0.500000 Mg\n0.666547 0.133046 0.500000 Mg\n0.066895 0.333131 0.500000 Mg\n0.266236 0.333131 0.500000 Mg\n0.466498 0.333452 0.500000 Mg\n0.866954 0.333452 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266329 0.532659 0.500000 Mg\n0.666547 0.533501 0.500000 Mg\n0.866954 0.533501 0.500000 Mg\n0.466643 0.533356 0.500000 Mg\n0.066713 0.533357 0.500000 Mg\n0.467341 0.733671 0.500000 Mg\n0.266329 0.733671 0.500000 Mg\n0.866698 0.733396 0.500000 Mg\n0.066895 0.733764 0.500000 Mg\n0.666869 0.733764 0.500000 Mg\n0.466643 0.933287 0.500000 Mg\n0.666869 0.933105 0.500000 Mg\n0.266236 0.933105 0.500000 Mg\n0.066367 0.933633 0.500000 Mg\n0.867265 0.933633 0.500000 Mg\n0.199539 0.999793 0.666433 Mg\n0.800254 0.999793 0.666433 Mg\n0.199539 0.199746 0.666433 Mg\n0.000207 0.199746 0.666433 Mg\n0.800254 0.800461 0.666433 Mg\n0.000207 0.800461 0.666433 Mg\n0.399939 0.999775 0.666885 Mg\n0.599837 0.999776 0.666885 Mg\n0.000224 0.400164 0.666885 Mg\n0.399939 0.400164 0.666885 Mg\n0.000224 0.600061 0.666885 Mg\n0.599837 0.600061 0.666885 Mg\n0.800174 0.199826 0.667312 Mg\n0.399652 0.199826 0.667312 Mg\n0.800174 0.600348 0.667312 Mg\n0.600209 0.200419 0.667330 Mg\n0.799580 0.399791 0.667330 Mg\n0.600209 0.399791 0.667330 Mg\n0.399808 0.600192 0.667433 Mg\n0.200385 0.600192 0.667433 Mg\n0.399808 0.799614 0.667433 Mg\n0.199877 0.399756 0.667818 Mg\n0.199877 0.800123 0.667818 Mg\n0.600245 0.800123 0.667818 Mg\n0.000000 0.000000 0.668979 Mg\n0.266925 0.133463 0.832921 Mg\n0.866537 0.133463 0.832921 Mg\n0.866537 0.733074 0.832921 Mg\n0.066898 0.533449 0.833932 Mg\n0.466551 0.533450 0.833932 Mg\n0.466551 0.933102 0.833932 Mg\n0.466607 0.133617 0.833909 Mg\n0.667011 0.133618 0.833909 Mg\n0.866382 0.332988 0.833909 Mg\n0.466607 0.332989 0.833909 Mg\n0.667011 0.533392 0.833909 Mg\n0.866382 0.533392 0.833909 Mg\n0.666666 0.333333 0.834067 Mg\n0.266353 0.532705 0.834158 Mg\n0.266353 0.733647 0.834158 Mg\n0.467294 0.733647 0.834158 Mg\n0.265764 0.331962 0.834413 Mg\n0.066198 0.331962 0.834413 Mg\n0.668038 0.734236 0.834413 Mg\n0.066198 0.734236 0.834413 Mg\n0.668038 0.933802 0.834413 Mg\n0.265764 0.933802 0.834413 Mg\n0.065390 0.130779 0.835134 Mg\n0.065390 0.934610 0.835134 Mg\n0.869221 0.934611 0.835134 Mg\n0.000000 0.000000 -0.000000 S\n",
"nsites": 150,
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"elements": [
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],
"chemical_system": "Mg-S",
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"volume": 3416.812711193421,
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"formula_full": "Mg149 S1",
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"updated_at": "2021-11-28T01:35:36.076000Z",
"spacegroup": 187
},
{
"id": "mp-741",
"created_at": "2022-09-04T14:39:38.842941Z",
"structure_string": "Hf4 O8\n1.0\n3.333597 0.000000 0.000000\n0.000000 5.556395 0.000000\n0.000000 0.000000 6.504995\nHf O\n4 8\ndirect\n0.250000 0.251318 0.607871 Hf\n0.750000 0.748682 0.392129 Hf\n0.250000 0.751318 0.892129 Hf\n0.750000 0.248682 0.107871 Hf\n0.750000 0.479206 0.841453 O\n0.250000 0.520794 0.158547 O\n0.750000 0.979206 0.658547 O\n0.250000 0.020794 0.341453 O\n0.750000 0.360501 0.423400 O\n0.250000 0.639499 0.576600 O\n0.750000 0.860501 0.076600 O\n0.250000 0.139499 0.923400 O\n",
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],
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"density": 11.603390426384543,
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"volume": 120.49060236290308,
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"formula_full": "Hf4 O8",
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"spacegroup": 62
},
{
"id": "mp-1094459",
"created_at": "2022-09-04T14:39:34.207140Z",
"structure_string": "Mg5 Zn1\n1.0\n1.580654 5.742650 0.000000\n-1.580654 5.742650 0.000000\n0.000000 1.775025 7.040544\nMg Zn\n5 1\ndirect\n0.003206 0.003206 0.007977 Mg\n0.328955 0.328955 0.331436 Mg\n0.949249 0.949249 0.600683 Mg\n0.666725 0.666725 0.663313 Mg\n0.274946 0.274946 0.951003 Mg\n0.610252 0.610252 0.278921 Zn\n",
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"spacegroup": 8
},
{
"id": "mp-555230",
"created_at": "2022-09-04T14:46:04.582321Z",
"structure_string": "Rb8 Y4 Ga4 Si16 O48\n1.0\n3.681697 13.634055 0.000000\n-3.681697 13.634055 0.000000\n0.000000 8.249944 12.582289\nRb Y Ga Si O\n8 4 4 16 48\ndirect\n0.298062 0.770787 0.548538 Rb\n0.313175 0.304202 0.965774 Rb\n0.304202 0.313175 0.465774 Rb\n0.229213 0.701938 0.951462 Rb\n0.701938 0.229213 0.451462 Rb\n0.770787 0.298062 0.048538 Rb\n0.695798 0.686825 0.534226 Rb\n0.686825 0.695798 0.034226 Rb\n0.486172 0.050949 0.749908 Y\n0.513828 0.949051 0.250092 Y\n0.949051 0.513828 0.750092 Y\n0.050949 0.486172 0.249908 Y\n0.771152 0.368309 0.774306 Ga\n0.368309 0.771152 0.274306 Ga\n0.228848 0.631691 0.225694 Ga\n0.631691 0.228848 0.725694 Ga\n0.139438 0.186872 0.203298 Si\n0.186872 0.139438 0.703298 Si\n0.859124 0.803565 0.010666 Si\n0.759226 0.480287 0.338764 Si\n0.240774 0.519713 0.661236 Si\n0.196435 0.140876 0.489334 Si\n0.289843 0.834951 0.077446 Si\n0.519713 0.240774 0.161236 Si\n0.480287 0.759226 0.838764 Si\n0.165049 0.710157 0.422554 Si\n0.834951 0.289843 0.577446 Si\n0.803565 0.859124 0.510666 Si\n0.140876 0.196435 0.989334 Si\n0.813128 0.860562 0.296702 Si\n0.710157 0.165049 0.922554 Si\n0.860562 0.813128 0.796702 Si\n0.176212 0.834421 0.378921 O\n0.758488 0.796080 0.296864 O\n0.253210 0.563577 0.532572 O\n0.329998 0.952403 0.228720 O\n0.350690 0.074722 0.923061 O\n0.706728 0.428735 0.658102 O\n0.293272 0.571265 0.341898 O\n0.437145 0.417632 0.165164 O\n0.571265 0.293272 0.841898 O\n0.915093 0.729355 0.913100 O\n0.582368 0.562855 0.334836 O\n0.428735 0.706728 0.158102 O\n0.044873 0.728102 0.703316 O\n0.241512 0.203920 0.703136 O\n0.938533 0.865154 0.443539 O\n0.203920 0.241512 0.203136 O\n0.417632 0.437145 0.665164 O\n0.955127 0.271898 0.296684 O\n0.619491 0.032273 0.577867 O\n0.952403 0.329998 0.728720 O\n0.796080 0.758488 0.796864 O\n0.238816 0.386178 0.725807 O\n0.649310 0.925278 0.076939 O\n0.563577 0.253210 0.032572 O\n0.061467 0.134846 0.556461 O\n0.270645 0.084907 0.586900 O\n0.728102 0.044873 0.203316 O\n0.134846 0.061467 0.056461 O\n0.925278 0.649310 0.576939 O\n0.380509 0.967727 0.422133 O\n0.761184 0.613822 0.274193 O\n0.436423 0.746790 0.967428 O\n0.047597 0.670002 0.271280 O\n0.271898 0.955127 0.796684 O\n0.746790 0.436423 0.467428 O\n0.032273 0.619491 0.077867 O\n0.562855 0.582368 0.834836 O\n0.613822 0.761184 0.774193 O\n0.670002 0.047597 0.771280 O\n0.074722 0.350690 0.423061 O\n0.865154 0.938533 0.943539 O\n0.165579 0.823788 0.121079 O\n0.729355 0.915093 0.413100 O\n0.084907 0.270645 0.086900 O\n0.967727 0.380509 0.922133 O\n0.386178 0.238816 0.225807 O\n0.823788 0.165579 0.621079 O\n0.834421 0.176212 0.878921 O\n",
"nsites": 80,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Ga-O-Rb-Si-Y",
"density": 3.333240036561748,
"density_atomic": 0.06333259013630092,
"volume": 1263.1727176770821,
"volume_molar": 9.508754887553911,
"formula_full": "Rb8 Y4 Ga4 Si16 O48",
"formula_reduced": "Rb2YGa(SiO3)4",
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"energy": -621.22342565,
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"updated_at": "2021-11-28T01:37:17.467000Z",
"spacegroup": 15
},
{
"id": "mp-978569",
"created_at": "2022-09-04T14:47:55.343321Z",
"structure_string": "Sm2 B8 Rh8\n1.0\n5.366546 0.000000 0.000000\n0.000000 5.366546 0.000000\n0.000000 0.000000 7.519521\nSm B Rh\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.500000 0.831414 0.849230 B\n0.500000 0.168586 0.849230 B\n0.831414 0.500000 0.150770 B\n0.168586 0.500000 0.150770 B\n0.331414 0.000000 0.349230 B\n0.668586 0.000000 0.349230 B\n0.000000 0.331414 0.650770 B\n0.000000 0.668586 0.650770 B\n0.251129 0.500000 0.856017 Rh\n0.748871 0.500000 0.856017 Rh\n0.500000 0.748871 0.143983 Rh\n0.500000 0.251129 0.143983 Rh\n0.000000 0.751129 0.356017 Rh\n0.000000 0.248871 0.356017 Rh\n0.248871 0.000000 0.643983 Rh\n0.751129 0.000000 0.643983 Rh\n",
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