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{
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{
"id": "mp-1009489",
"created_at": "2022-09-04T14:39:05.673215Z",
"structure_string": "Rb1 Te1\n1.0\n0.000000 3.737975 3.737975\n3.737975 0.000000 3.737975\n3.737975 3.737975 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "mp-1096151",
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{
"id": "mp-1209830",
"created_at": "2022-09-04T14:41:17.344370Z",
"structure_string": "P1 Br2\n1.0\n10.104816 0.000000 0.000000\n0.000000 10.104816 0.000000\n0.000000 0.000000 14.527105\nP Br\n1 2\ndirect\n0.500000 0.500000 0.500000 P\n0.500000 0.500000 0.079361 Br\n0.500000 0.500000 0.920639 Br\n",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.727000Z",
"spacegroup": 123
},
{
"id": "mp-1064459",
"created_at": "2022-09-04T14:40:32.055677Z",
"structure_string": "P1 Br1\n1.0\n3.437410 0.000000 0.000000\n0.000000 3.437410 0.000000\n0.000000 0.000000 3.437410\nP Br\n1 1\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 Br\n",
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"elements": [
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"density": 4.533144266693646,
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"volume": 40.615706138218016,
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"formula_full": "P1 Br1",
"formula_reduced": "PBr",
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"energy": -5.43636809,
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"total_magnetization": 0.0017127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.728000Z",
"spacegroup": 221
},
{
"id": "mp-1014212",
"created_at": "2022-09-04T14:40:19.364987Z",
"structure_string": "Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
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"elements": [
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"density": 3.156332160571929,
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"formula_full": "Si1",
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"energy": -4.89982253,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.452000Z",
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{
"id": "mp-1039029",
"created_at": "2022-09-04T14:43:57.962952Z",
"structure_string": "Mg2 Cd4\n1.0\n6.663442 0.000000 0.000000\n0.000000 6.663442 0.000000\n0.000000 0.000000 4.444980\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.300790 0.300790 0.000000 Cd\n0.699210 0.699210 0.000000 Cd\n0.199210 0.800790 0.500000 Cd\n0.800790 0.199210 0.500000 Cd\n",
"nsites": 6,
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"elements": [
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"density": 4.192111607027285,
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"spacegroup": 136
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{
"id": "mp-1096691",
"created_at": "2022-09-04T14:40:35.164309Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n-6.598010 6.922155 9.791845\n6.598010 -6.922155 9.791845\n6.598010 6.922155 -9.791845\nSr Tl Pb\n2 1 1\ndirect\n0.000000 0.251413 0.251413 Sr\n0.000000 0.748587 0.748587 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr2 Tl1 Pb1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:03.422000Z",
"spacegroup": 71
},
{
"id": "mp-27",
"created_at": "2022-09-04T14:44:12.933126Z",
"structure_string": "Si1\n1.0\n0.000000 1.934742 1.934742\n1.934742 0.000000 1.934742\n1.934742 1.934742 0.000000\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
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"elements": [
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"density_atomic": 0.06904000682604183,
"volume": 14.484355462473692,
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"formula_full": "Si1",
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"energy": -4.89375202,
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"updated_at": "2021-11-28T01:36:31.560000Z",
"spacegroup": 225
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{
"id": "mp-1094883",
"created_at": "2022-09-04T14:39:12.082046Z",
"structure_string": "Mg1 Ga1\n1.0\n3.111251 0.000000 0.000000\n0.000000 3.111251 0.000000\n0.000000 0.000000 3.983411\nMg Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
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"elements": [
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"density": 4.049310497801024,
"density_atomic": 0.051868630210427855,
"volume": 38.55895156448363,
"volume_molar": 11.610371693967133,
"formula_full": "Mg1 Ga1",
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{
"id": "mp-1185056",
"created_at": "2022-09-04T14:41:28.479768Z",
"structure_string": "K1 Sm1\n1.0\n3.684422 -0.000984 0.000172\n-1.843063 3.190288 -0.000175\n0.000342 -0.000204 7.173445\nK Sm\n1 1\ndirect\n0.666669 0.333335 0.749999 K\n0.333331 0.666667 0.250001 Sm\n",
"nsites": 2,
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"volume": 84.30629746222323,
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"formula_full": "K1 Sm1",
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"spacegroup": 187
},
{
"id": "mp-1097358",
"created_at": "2022-09-04T14:40:40.693068Z",
"structure_string": "Mg1 Zn2 Pd1\n1.0\n-5.295738 5.593849 7.899852\n5.295738 -5.593849 7.899852\n5.295738 5.593849 -7.899852\nMg Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.271258 0.271258 Zn\n0.000000 0.728742 0.728742 Zn\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 936.0869182649996,
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{
"id": "mp-1186877",
"created_at": "2022-09-04T14:40:14.756227Z",
"structure_string": "Rb3 Tm1\n1.0\n6.414985 0.000000 0.000000\n0.000000 6.414985 0.000000\n0.000000 0.000000 6.414985\nRb Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tm\n",
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}