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{
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"results": [
{
"id": "mp-1186188",
"created_at": "2022-09-04T14:43:17.361753Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n0.000000 3.798925 3.798925\n3.798925 0.000000 3.798925\n3.798925 3.798925 0.000000\nNa Tl Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"volume": 109.65088834576542,
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{
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"volume": 635.7665672687575,
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"formula_full": "In3 Hg1",
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"spacegroup": 65
},
{
"id": "mp-974966",
"created_at": "2022-09-04T14:47:56.094755Z",
"structure_string": "Rb3 Lu1\n1.0\n-3.178439 3.178439 6.554356\n3.178439 -3.178439 6.554356\n3.178439 3.178439 -6.554356\nRb Lu\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 Lu\n",
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"density_atomic": 0.015102269350957037,
"volume": 264.86085680537263,
"volume_molar": 39.875734037403944,
"formula_full": "Rb3 Lu1",
"formula_reduced": "Rb3Lu",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.101000Z",
"spacegroup": 139
},
{
"id": "mp-570786",
"created_at": "2022-09-04T14:47:22.552328Z",
"structure_string": "K4 Na8\n1.0\n3.723384 -6.449089 0.000000\n3.723384 6.449089 0.000000\n0.000000 0.000000 12.221650\nK Na\n4 8\ndirect\n0.666667 0.333333 0.937361 K\n0.333333 0.666667 0.437361 K\n0.333333 0.666667 0.062639 K\n0.666667 0.333333 0.562639 K\n0.334226 0.167113 0.250000 Na\n0.167113 0.832887 0.750000 Na\n0.167113 0.334226 0.750000 Na\n0.832887 0.665774 0.250000 Na\n0.832887 0.167113 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.665774 0.832887 0.750000 Na\n0.000000 0.000000 0.500000 Na\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "K-Na",
"density": 0.9627854093729474,
"density_atomic": 0.020444910297642806,
"volume": 586.9431474778121,
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"formula_full": "K4 Na8",
"formula_reduced": "KNa2",
"formula_anonymous": "AB2",
"energy": -14.903200859999998,
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"energy_uncorrected": -14.903200859999998,
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"updated_at": "2021-11-28T01:38:03.843000Z",
"spacegroup": 194
},
{
"id": "mp-1185047",
"created_at": "2022-09-04T14:41:17.753634Z",
"structure_string": "K1 Mg3\n1.0\n-2.651040 2.651040 4.248746\n2.651040 -2.651040 4.248746\n2.651040 2.651040 -4.248746\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.5572752031874177,
"density_atomic": 0.03348934627903334,
"volume": 119.4409698735827,
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"formula_full": "K1 Mg3",
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"energy_uncorrected": -4.97105713,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.632000Z",
"spacegroup": 139
},
{
"id": "mp-1097541",
"created_at": "2022-09-04T14:43:09.420048Z",
"structure_string": "Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pd"
],
"chemical_system": "Hg-Mg-Pd",
"density": 0.5489817456681741,
"density_atomic": 0.00371862701560853,
"volume": 1075.6658259111327,
"volume_molar": 161.94527535896242,
"formula_full": "Mg2 Hg1 Pd1",
"formula_reduced": "Mg2HgPd",
"formula_anonymous": "ABC2",
"energy": -4.97436321,
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"energy_uncorrected": -4.97436321,
"band_gap": 0.5150000000000001,
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"total_magnetization": 1.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.158000Z",
"spacegroup": 71
},
{
"id": "mp-1186838",
"created_at": "2022-09-04T14:39:28.369585Z",
"structure_string": "Rb3 Er1\n1.0\n0.000000 5.104783 5.104783\n5.104783 0.000000 5.104783\n5.104784 5.104783 0.000000\nRb Er\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Er-Rb",
"density": 2.6442780831219705,
"density_atomic": 0.015034815296940734,
"volume": 266.0491612965751,
"volume_molar": 40.05463746019798,
"formula_full": "Rb3 Er1",
"formula_reduced": "Rb3Er",
"formula_anonymous": "AB3",
"energy": -4.97721498,
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"energy_uncorrected": -4.97721498,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.631000Z",
"spacegroup": 225
},
{
"id": "mp-975013",
"created_at": "2022-09-04T14:42:55.772074Z",
"structure_string": "Rb3 Dy1\n1.0\n0.000000 5.091912 5.091912\n5.091912 0.000000 5.091912\n5.091912 5.091912 0.000000\nRb Dy\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"elements": [
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"density": 2.6344521741211633,
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"volume": 264.0417873836013,
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"formula_full": "Rb3 Dy1",
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"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:00.662000Z",
"spacegroup": 225
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{
"id": "mp-568526",
"created_at": "2022-09-04T14:46:38.639925Z",
"structure_string": "Sr2 Hg4\n1.0\n-2.580630 3.975171 4.357406\n2.580630 -3.975171 4.357406\n2.580630 3.975171 -4.357406\nSr Hg\n2 4\ndirect\n0.790049 0.540049 0.250000 Sr\n0.209951 0.459951 0.750000 Sr\n0.211839 0.165942 0.045897 Hg\n0.379955 0.834058 0.545897 Hg\n0.620045 0.165942 0.454103 Hg\n0.788161 0.834058 0.954103 Hg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Hg-Sr",
"density": 9.07905641779116,
"density_atomic": 0.03355688772594989,
"volume": 178.80084854711174,
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"formula_full": "Sr2 Hg4",
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"updated_at": "2021-11-28T01:37:43.307000Z",
"spacegroup": 74
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{
"id": "mp-1184990",
"created_at": "2022-09-04T14:43:23.394117Z",
"structure_string": "K1 Mg3\n1.0\n0.000000 3.907692 3.907692\n3.907692 0.000000 3.907692\n3.907692 3.907692 0.000000\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"updated_at": "2021-11-28T01:36:16.794000Z",
"spacegroup": 225
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{
"id": "mp-1096181",
"created_at": "2022-09-04T14:41:10.401644Z",
"structure_string": "Ca2 Ga1 Ag1\n1.0\n-5.948416 6.313936 8.927113\n5.948416 -6.313936 8.927113\n5.948416 6.313936 -8.927113\nCa Ga Ag\n2 1 1\ndirect\n0.000000 0.247694 0.247694 Ca\n0.000000 0.752306 0.752306 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
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"density": 0.3191321231457882,
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"formula_full": "Ca2 Ga1 Ag1",
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"updated_at": "2021-11-28T01:35:10.932000Z",
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{
"id": "mp-974672",
"created_at": "2022-09-04T14:44:03.810082Z",
"structure_string": "Rb6 Er2\n1.0\n4.547635 -7.876734 0.000000\n4.547635 7.876734 0.000000\n0.000000 0.000000 7.399329\nRb Er\n6 2\ndirect\n0.173694 0.347387 0.250000 Rb\n0.652613 0.826306 0.250000 Rb\n0.173694 0.826306 0.250000 Rb\n0.826306 0.652613 0.750000 Rb\n0.347387 0.173694 0.750000 Rb\n0.826306 0.173694 0.750000 Rb\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
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"density": 2.654268798349868,
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"volume": 530.0954949904692,
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"formula_full": "Rb6 Er2",
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"updated_at": "2021-11-28T01:36:27.443000Z",
"spacegroup": 194
}
]
}