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{
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"results": [
{
"id": "mp-1093771",
"created_at": "2022-09-04T14:43:00.799667Z",
"structure_string": "Sr2 Zn1 Ag1\n1.0\n-6.536265 6.721546 9.241152\n6.536265 -6.721546 9.241152\n6.536265 6.721546 -9.241152\nSr Zn Ag\n2 1 1\ndirect\n0.263811 0.000000 0.263811 Sr\n0.736189 0.000000 0.736189 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
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{
"id": "mp-1093660",
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"structure_string": "Li1 Mg2 In1\n1.0\n-5.866142 5.920438 8.479989\n5.866142 -5.920438 8.479989\n5.866142 5.920438 -8.479989\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.249155 0.249155 Mg\n0.000000 0.750845 0.750845 Mg\n0.000000 0.500000 0.500000 In\n",
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"formula_full": "Li1 Mg2 In1",
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"spacegroup": 71
},
{
"id": "mp-1209515",
"created_at": "2022-09-04T14:47:43.576158Z",
"structure_string": "Sr11 Hg54\n1.0\n6.822274 -11.816526 0.000000\n6.822274 11.816526 0.000000\n0.000000 0.000000 11.214320\nSr Hg\n11 54\ndirect\n0.570504 0.695701 0.000000 Sr\n0.125197 0.429496 0.000000 Sr\n0.304299 0.874803 0.000000 Sr\n0.666667 0.333333 0.816302 Sr\n0.666667 0.333333 0.183698 Sr\n0.538010 0.950188 0.500000 Sr\n0.412178 0.461990 0.500000 Sr\n0.049812 0.587822 0.500000 Sr\n0.795671 0.750542 0.500000 Sr\n0.954870 0.204329 0.500000 Sr\n0.249458 0.045130 0.500000 Sr\n0.758584 0.952584 0.646179 Hg\n0.194000 0.241416 0.646179 Hg\n0.758584 0.952584 0.353821 Hg\n0.047416 0.806000 0.646179 Hg\n0.194000 0.241416 0.353821 Hg\n0.047416 0.806000 0.353821 Hg\n0.892518 0.492118 0.000000 Hg\n0.599600 0.107482 0.000000 Hg\n0.507882 0.400400 0.000000 Hg\n0.652837 0.454108 0.500000 Hg\n0.801270 0.347163 0.500000 Hg\n0.545892 0.198730 0.500000 Hg\n0.609888 0.549586 0.737813 Hg\n0.939698 0.390112 0.737813 Hg\n0.609888 0.549586 0.262187 Hg\n0.450414 0.060302 0.737813 Hg\n0.939698 0.390112 0.262187 Hg\n0.450414 0.060302 0.262187 Hg\n0.540775 0.900693 0.825250 Hg\n0.359918 0.459225 0.825250 Hg\n0.540775 0.900693 0.174750 Hg\n0.099307 0.640082 0.825250 Hg\n0.359918 0.459225 0.174750 Hg\n0.099307 0.640082 0.174750 Hg\n0.333333 0.666667 0.500000 Hg\n0.852031 0.583797 0.718136 Hg\n0.731766 0.147969 0.718136 Hg\n0.852031 0.583797 0.281864 Hg\n0.416203 0.268234 0.718136 Hg\n0.731766 0.147969 0.281864 Hg\n0.416203 0.268234 0.281864 Hg\n0.824014 0.805037 0.815651 Hg\n0.981024 0.175986 0.815651 Hg\n0.824014 0.805037 0.184349 Hg\n0.194963 0.018976 0.815651 Hg\n0.981024 0.175986 0.184349 Hg\n0.194963 0.018976 0.184349 Hg\n0.000000 0.000000 0.645133 Hg\n0.000000 0.000000 0.354867 Hg\n0.768326 0.988791 0.000000 Hg\n0.220465 0.231674 0.000000 Hg\n0.011209 0.779535 0.000000 Hg\n0.333333 0.666667 0.846250 Hg\n0.333333 0.666667 0.153750 Hg\n0.750487 0.598836 0.000000 Hg\n0.848349 0.249513 0.000000 Hg\n0.401164 0.151651 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.548014 0.722119 0.648015 Hg\n0.174105 0.451986 0.648015 Hg\n0.548014 0.722119 0.351985 Hg\n0.277881 0.825895 0.648015 Hg\n0.174105 0.451986 0.351985 Hg\n0.277881 0.825895 0.351985 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hg-Sr",
"density": 10.833035512852746,
"density_atomic": 0.03594938323213658,
"volume": 1808.0977795995652,
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"formula_full": "Sr11 Hg54",
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"updated_at": "2021-11-28T01:38:17.060000Z",
"spacegroup": 174
},
{
"id": "mp-1179586",
"created_at": "2022-09-04T14:41:01.976658Z",
"structure_string": "U2 Zn17\n1.0\n16.135115 9.261185 0.000000\n-16.135115 9.261185 0.000000\n0.000000 3.917777 12.065003\nU Zn\n2 17\ndirect\n0.655108 0.655108 0.353322 U\n0.344892 0.344892 0.646678 U\n0.198082 0.198082 0.094300 Zn\n0.801918 0.801918 0.905700 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.296868 0.703132 0.000000 Zn\n0.703132 0.296868 0.000000 Zn\n0.998747 0.298418 0.413068 Zn\n0.001253 0.701582 0.586932 Zn\n0.701582 0.001253 0.586932 Zn\n0.298418 0.998747 0.413068 Zn\n0.794598 0.794598 0.134238 Zn\n0.286544 0.804504 0.160552 Zn\n0.804504 0.286544 0.160552 Zn\n0.205402 0.205402 0.865762 Zn\n0.713456 0.195496 0.839448 Zn\n0.195496 0.713456 0.839448 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "U-Zn",
"density": 0.7313183992234826,
"density_atomic": 0.005269356067639977,
"volume": 3605.7536739037755,
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"formula_full": "U2 Zn17",
"formula_reduced": "U2Zn17",
"formula_anonymous": "A2B17",
"energy": -15.29596548,
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"updated_at": "2021-11-28T01:35:09.446000Z",
"spacegroup": 12
},
{
"id": "mp-1093547",
"created_at": "2022-09-04T14:41:05.888961Z",
"structure_string": "Ba2 Ag1 Hg1\n1.0\n-6.749469 7.046744 9.541310\n6.749469 -7.046744 9.541310\n6.749469 7.046744 -9.541310\nBa Ag Hg\n2 1 1\ndirect\n0.764543 0.000000 0.764543 Ba\n0.235457 0.000000 0.235457 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.5334271621972856,
"density_atomic": 0.002203605726012615,
"volume": 1815.2067553563352,
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"formula_full": "Ba2 Ag1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:13.585000Z",
"spacegroup": 71
},
{
"id": "mp-1172894",
"created_at": "2022-09-04T14:46:27.249595Z",
"structure_string": "Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n",
"nsites": 6,
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],
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"density": 0.07632930061378769,
"density_atomic": 0.0007681409603742695,
"volume": 7811.066340058934,
"volume_molar": 783.9890164255487,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy": -4.82832814,
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"updated_at": "2021-11-28T01:37:36.169000Z",
"spacegroup": 194
},
{
"id": "mp-1096236",
"created_at": "2022-09-04T14:41:22.901171Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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],
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"density": 0.5014898550690652,
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"volume": 1804.5010968031927,
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"formula_full": "Ba2 Ga1 Hg1",
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"updated_at": "2021-11-28T01:35:11.568000Z",
"spacegroup": 71
},
{
"id": "mp-1095767",
"created_at": "2022-09-04T14:46:58.738599Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-5.579237 6.044697 9.049839\n5.579237 -6.044697 9.049839\n5.579237 6.044697 -9.049839\nMg Hg Pb\n2 1 1\ndirect\n0.000000 0.249307 0.249307 Mg\n0.000000 0.750693 0.750693 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"volume": 1220.8159382846734,
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"formula_full": "Mg2 Hg1 Pb1",
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"spacegroup": 71
},
{
"id": "mp-1097370",
"created_at": "2022-09-04T14:44:12.980820Z",
"structure_string": "Ca2 Mg1 Ga1\n1.0\n-6.314174 6.412769 9.047189\n6.314174 -6.412769 9.047189\n6.314174 6.412769 -9.047189\nCa Mg Ga\n2 1 1\ndirect\n0.000000 0.273442 0.273442 Ca\n0.000000 0.726558 0.726558 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 0.19738837011759555,
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"volume": 1465.3311975996253,
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{
"id": "mp-1039025",
"created_at": "2022-09-04T14:42:01.903639Z",
"structure_string": "Mg1 Cd1\n1.0\n0.000000 3.323570 3.323570\n3.323570 0.000000 3.323570\n3.323570 3.323570 0.000000\nMg Cd\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Cd\n",
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"updated_at": "2021-11-28T01:35:33.955000Z",
"spacegroup": 216
},
{
"id": "mp-1039121",
"created_at": "2022-09-04T14:43:12.807365Z",
"structure_string": "Mg2 Cd2\n1.0\n2.356076 -4.080843 0.000000\n2.356076 4.080843 0.000000\n0.000000 0.000000 7.592237\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.375900 Mg\n0.666667 0.333333 0.875900 Mg\n0.333333 0.666667 0.999100 Cd\n0.666667 0.333333 0.499100 Cd\n",
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"energy": -3.1985009,
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"updated_at": "2021-11-28T01:36:04.680000Z",
"spacegroup": 186
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{
"id": "mp-1063817",
"created_at": "2022-09-04T14:41:23.289345Z",
"structure_string": "Rb4\n1.0\n0.000000 7.671627 13.050748\n2.435135 0.000000 13.050748\n2.435135 7.671627 0.000000\nRb\n4\ndirect\n0.916997 0.916997 0.583003 Rb\n0.333003 0.333003 0.666997 Rb\n0.583003 0.583003 0.916997 Rb\n0.666997 0.666997 0.333003 Rb\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:35:22.146000Z",
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}
]
}