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{
"id": "mp-1097609",
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"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",
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{
"id": "mp-1094849",
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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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"formula_full": "Mg1 Ga1",
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"updated_at": "2021-11-28T01:35:58.903000Z",
"spacegroup": 221
},
{
"id": "mp-24084",
"created_at": "2022-09-04T14:47:45.180694Z",
"structure_string": "K1 H1\n1.0\n0.000000 2.848171 2.848171\n2.848171 0.000000 2.848171\n2.848171 2.848171 0.000000\nK H\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
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"elements": [
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"volume": 46.2091708763842,
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"formula_full": "K1 H1",
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"updated_at": "2021-11-28T01:38:23.939000Z",
"spacegroup": 225
},
{
"id": "mp-1096590",
"created_at": "2022-09-04T14:39:32.832138Z",
"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",
"nsites": 4,
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"elements": [
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],
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"density": 0.38713518206762276,
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"volume": 1662.4220133966355,
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"formula_full": "K2 Cd1 Au1",
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{
"id": "mp-1096304",
"created_at": "2022-09-04T14:44:29.537375Z",
"structure_string": "Cs1 Na2 Sb1\n1.0\n-7.034609 7.328591 10.296636\n7.034609 -7.328591 10.296636\n7.034609 7.328591 -10.296636\nCs Na Sb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.212213 0.212213 Na\n0.000000 0.787787 0.787787 Na\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"volume": 2123.32170732506,
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"formula_full": "Cs1 Na2 Sb1",
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"updated_at": "2021-11-28T01:36:41.324000Z",
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{
"id": "mp-1097330",
"created_at": "2022-09-04T14:47:20.571978Z",
"structure_string": "Sr1 Tl2 In1\n1.0\n-6.577767 6.721689 10.026176\n6.577767 -6.721689 10.026176\n6.577767 6.721689 -10.026176\nSr Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.273763 0.273763 Tl\n0.000000 0.726237 0.726237 Tl\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Tl",
"In"
],
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"density": 0.5723787422742197,
"density_atomic": 0.002255837312218072,
"volume": 1773.1775152113983,
"volume_molar": 266.958114726752,
"formula_full": "Sr1 Tl2 In1",
"formula_reduced": "SrTl2In",
"formula_anonymous": "ABC2",
"energy": -4.87765456,
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"updated_at": "2021-11-28T01:38:02.851000Z",
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{
"id": "mp-11576",
"created_at": "2022-09-04T14:47:22.818938Z",
"structure_string": "Yb1 Tl1\n1.0\n3.859875 0.000000 0.000000\n0.000000 3.859875 0.000000\n0.000000 0.000000 3.859875\nYb Tl\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 2,
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"density": 10.898283057935288,
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"volume": 57.50686883093555,
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"formula_full": "Yb1 Tl1",
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"updated_at": "2021-11-28T01:38:07.426000Z",
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},
{
"id": "mp-1095976",
"created_at": "2022-09-04T14:46:29.467534Z",
"structure_string": "Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"volume": 792.752957820285,
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"formula_full": "Mg2 Ga1 Cu1",
"formula_reduced": "Mg2GaCu",
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{
"id": "mp-1095772",
"created_at": "2022-09-04T14:47:23.746633Z",
"structure_string": "Li2 Tl1 In1\n1.0\n-5.813652 5.937374 8.314122\n5.813652 -5.937374 8.314122\n5.813652 5.937374 -8.314122\nLi Tl In\n2 1 1\ndirect\n0.000000 0.249556 0.249556 Li\n0.000000 0.750444 0.750444 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"formula_full": "Li2 Tl1 In1",
"formula_reduced": "Li2TlIn",
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{
"id": "mp-1248765",
"created_at": "2022-09-04T14:45:29.851996Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n",
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"formula_full": "Li2 La1 Al1",
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"spacegroup": 12
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{
"id": "mp-1096182",
"created_at": "2022-09-04T14:44:19.181488Z",
"structure_string": "Ca2 Cd1 Au1\n1.0\n-6.292015 6.416382 9.090497\n6.292015 -6.416382 9.090497\n6.292015 6.416382 -9.090497\nCa Cd Au\n2 1 1\ndirect\n0.000000 0.269421 0.269421 Ca\n0.000000 0.730579 0.730579 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
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"updated_at": "2021-11-28T01:36:35.994000Z",
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]
}