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"results": [
{
"id": "mp-1096590",
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"structure_string": "K2 Cd1 Au1\n1.0\n-6.570318 6.816685 9.279438\n6.570318 -6.816685 9.279438\n6.570318 6.816685 -9.279438\nK Cd Au\n2 1 1\ndirect\n0.726526 0.000000 0.726526 K\n0.273474 0.000000 0.273474 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Au\n",
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{
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"structure_string": "Mg1 Ga1\n1.0\n3.365722 0.000000 0.000000\n0.000000 3.365722 0.000000\n0.000000 0.000000 3.365722\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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"spacegroup": 221
},
{
"id": "mp-974745",
"created_at": "2022-09-04T14:41:07.674907Z",
"structure_string": "Rb3 Tm1\n1.0\n-3.144555 3.144555 6.609496\n3.144555 -3.144555 6.609496\n3.144555 3.144555 -6.609496\nRb Tm\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
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"volume": 261.42476468986655,
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"formula_full": "Rb3 Tm1",
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"updated_at": "2021-11-28T01:35:08.300000Z",
"spacegroup": 139
},
{
"id": "mp-1097609",
"created_at": "2022-09-04T14:40:07.702774Z",
"structure_string": "Li1 Ca2 Pb1\n1.0\n-6.521356 6.657798 9.409206\n6.521356 -6.657798 9.409206\n6.521356 6.657798 -9.409206\nLi Ca Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260227 0.260227 Ca\n0.000000 0.739773 0.739773 Ca\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Li-Pb",
"density": 0.299056634110469,
"density_atomic": 0.0024478144818974507,
"volume": 1634.1107668009854,
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"formula_full": "Li1 Ca2 Pb1",
"formula_reduced": "LiCa2Pb",
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"updated_at": "2021-11-28T01:34:50.188000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"chemical_system": "Rb-Tm",
"density": 2.6754445119309835,
"density_atomic": 0.015152107947365214,
"volume": 263.98967152920505,
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"formula_full": "Rb3 Tm1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:34:58.361000Z",
"spacegroup": 221
},
{
"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",
"nsites": 4,
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"elements": [
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"Zn",
"Pd"
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"density": 0.46395517405662096,
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"volume": 936.0869182649996,
"volume_molar": 140.93117963466108,
"formula_full": "Mg1 Zn2 Pd1",
"formula_reduced": "MgZn2Pd",
"formula_anonymous": "ABC2",
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"total_magnetization": 4.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.907000Z",
"spacegroup": 71
},
{
"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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"elements": [
"K",
"Sm"
],
"chemical_system": "K-Sm",
"density": 3.7316655826641303,
"density_atomic": 0.023723020227476826,
"volume": 84.30629746222323,
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"formula_full": "K1 Sm1",
"formula_reduced": "KSm",
"formula_anonymous": "AB",
"energy": -4.89071194,
"energy_per_atom": -2.44535597,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0017891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.103000Z",
"spacegroup": 187
},
{
"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",
"nsites": 2,
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"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.049310497801024,
"density_atomic": 0.051868630210427855,
"volume": 38.55895156448363,
"volume_molar": 11.610371693967133,
"formula_full": "Mg1 Ga1",
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"energy": -4.89128753,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:35.059000Z",
"spacegroup": 123
},
{
"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": 3.2198236280393964,
"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-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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"chemical_system": "Pb-Sr-Tl",
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"volume": 1788.8701228818854,
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"formula_full": "Sr2 Tl1 Pb1",
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"updated_at": "2021-11-28T01:35:03.422000Z",
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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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"volume": 197.36359850314724,
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"formula_full": "Mg2 Cd4",
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{
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"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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"updated_at": "2021-11-28T01:35:00.452000Z",
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]
}