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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",
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{
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"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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"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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"density": 2.6754445119309835,
"density_atomic": 0.015152107947365214,
"volume": 263.98967152920505,
"volume_molar": 39.74457402837593,
"formula_full": "Rb3 Tm1",
"formula_reduced": "Rb3Tm",
"formula_anonymous": "AB3",
"energy": -4.88620849,
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"energy_uncorrected": -4.88620849,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:58.361000Z",
"spacegroup": 221
},
{
"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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"Ca",
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],
"chemical_system": "Ca-Li-Pb",
"density": 0.299056634110469,
"density_atomic": 0.0024478144818974507,
"volume": 1634.1107668009854,
"volume_molar": 246.02112637767672,
"formula_full": "Li1 Ca2 Pb1",
"formula_reduced": "LiCa2Pb",
"formula_anonymous": "ABC2",
"energy": -4.88444986,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.188000Z",
"spacegroup": 71
},
{
"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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Tm",
"density": 2.701693998796022,
"density_atomic": 0.015300769247111231,
"volume": 261.42476468986655,
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"formula_full": "Rb3 Tm1",
"formula_reduced": "Rb3Tm",
"formula_anonymous": "AB3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.300000Z",
"spacegroup": 139
},
{
"id": "mp-1094849",
"created_at": "2022-09-04T14:43:03.022534Z",
"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",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.095166572756919,
"density_atomic": 0.05245601213534584,
"volume": 38.127183493088346,
"volume_molar": 11.480363288886325,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -4.88073579,
"energy_per_atom": -2.440367895,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0007926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.903000Z",
"spacegroup": 221
},
{
"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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"Cd",
"Au"
],
"chemical_system": "Au-Cd-K",
"density": 0.38713518206762276,
"density_atomic": 0.0024061279072136806,
"volume": 1662.4220133966355,
"volume_molar": 250.28348417992862,
"formula_full": "K2 Cd1 Au1",
"formula_reduced": "K2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.87964889,
"energy_per_atom": -1.2199122225,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.87964889,
"band_gap": 0.2384999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.068000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
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"Tl",
"In"
],
"chemical_system": "In-Sr-Tl",
"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,
"energy_per_atom": -1.21941364,
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"updated_at": "2021-11-28T01:38:02.851000Z",
"spacegroup": 71
},
{
"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,
"nelements": 2,
"elements": [
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"Tl"
],
"chemical_system": "Tl-Yb",
"density": 10.898283057935288,
"density_atomic": 0.03477845413353664,
"volume": 57.50686883093555,
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"formula_full": "Yb1 Tl1",
"formula_reduced": "YbTl",
"formula_anonymous": "AB",
"energy": -4.8749214,
"energy_per_atom": -2.4374607,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:07.426000Z",
"spacegroup": 221
},
{
"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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"elements": [
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],
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"density": 0.380972637080476,
"density_atomic": 0.005045708074048951,
"volume": 792.752957820285,
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"formula_full": "Mg2 Ga1 Cu1",
"formula_reduced": "Mg2GaCu",
"formula_anonymous": "ABC2",
"energy": -4.87150231,
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"updated_at": "2021-11-28T01:37:41.829000Z",
"spacegroup": 71
},
{
"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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"volume": 1147.9416737990252,
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"formula_full": "Li2 Tl1 In1",
"formula_reduced": "Li2TlIn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:09.679000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"density": 0.26986194466553454,
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"volume": 1106.1710168665218,
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"formula_full": "Li2 La1 Al1",
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"energy": -4.86073925,
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"updated_at": "2021-11-28T01:36:58.034000Z",
"spacegroup": 12
}
]
}