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{
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"results": [
{
"id": "mp-1186968",
"created_at": "2022-09-04T14:47:11.871455Z",
"structure_string": "Sc6 Ga2\n1.0\n3.117999 -5.400533 0.000000\n3.117999 5.400533 0.000000\n0.000000 0.000000 5.034185\nSc Ga\n6 2\ndirect\n0.171527 0.343054 0.250000 Sc\n0.656946 0.828473 0.250000 Sc\n0.171527 0.828473 0.250000 Sc\n0.828473 0.656946 0.750000 Sc\n0.343054 0.171527 0.750000 Sc\n0.828473 0.171527 0.750000 Sc\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
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{
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"structure_string": "Dy8 Ni2\n1.0\n0.000000 5.294043 5.294043\n5.294043 0.000000 5.294043\n5.294043 5.294043 0.000000\nDy Ni\n8 2\ndirect\n0.387264 0.387264 0.387264 Dy\n0.387264 0.387264 0.838207 Dy\n0.387264 0.838207 0.387264 Dy\n0.862736 0.862736 0.411793 Dy\n0.862736 0.862736 0.862736 Dy\n0.838207 0.387264 0.387264 Dy\n0.862736 0.411793 0.862736 Dy\n0.411793 0.862736 0.862736 Dy\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n",
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"volume": 296.75113524721985,
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"formula_full": "Dy8 Ni2",
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"spacegroup": 227
},
{
"id": "mp-2002",
"created_at": "2022-09-04T14:47:08.566831Z",
"structure_string": "Cu3 Sb1\n1.0\n0.000000 3.112952 3.112952\n3.112952 0.000000 3.112952\n3.112952 3.112952 0.000000\nCu Sb\n3 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"density": 8.598250114623236,
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"volume": 60.33193689556189,
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"formula_full": "Cu3 Sb1",
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"energy": -15.89662744,
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"spacegroup": 225
},
{
"id": "mp-1102396",
"created_at": "2022-09-04T14:47:10.791501Z",
"structure_string": "Ba8 In4\n1.0\n6.005287 0.000000 0.000000\n0.000000 8.220918 0.000000\n0.000000 0.000000 11.114259\nBa In\n8 4\ndirect\n0.250000 0.023088 0.693867 Ba\n0.250000 0.523088 0.806133 Ba\n0.750000 0.976912 0.306133 Ba\n0.750000 0.476912 0.193867 Ba\n0.250000 0.672843 0.426204 Ba\n0.250000 0.172843 0.073796 Ba\n0.750000 0.327157 0.573796 Ba\n0.750000 0.827157 0.926204 Ba\n0.250000 0.231059 0.395468 In\n0.250000 0.731059 0.104532 In\n0.750000 0.768941 0.604532 In\n0.750000 0.268941 0.895468 In\n",
"nsites": 12,
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"elements": [
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"In"
],
"chemical_system": "Ba-In",
"density": 4.714663838177067,
"density_atomic": 0.021869892530961887,
"volume": 548.6995412991274,
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"formula_full": "Ba8 In4",
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"energy": -29.97174013,
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"spacegroup": 62
},
{
"id": "mp-1716",
"created_at": "2022-09-04T14:47:08.421919Z",
"structure_string": "Rh8 O12\n1.0\n5.260030 0.000000 0.000000\n0.000000 5.453001 0.000000\n0.000000 0.000000 7.375850\nRh O\n8 12\ndirect\n0.749682 0.030092 0.107313 Rh\n0.749682 0.469908 0.892687 Rh\n0.750318 0.530092 0.392687 Rh\n0.750318 0.969908 0.607313 Rh\n0.250318 0.969908 0.892687 Rh\n0.250318 0.530092 0.107313 Rh\n0.249682 0.469908 0.607313 Rh\n0.249682 0.030092 0.392687 Rh\n0.050120 0.250000 0.000000 O\n0.449880 0.750000 0.500000 O\n0.949880 0.750000 0.000000 O\n0.550120 0.250000 0.500000 O\n0.607223 0.112046 0.848913 O\n0.607223 0.387954 0.151087 O\n0.892777 0.612046 0.651087 O\n0.892777 0.887954 0.348913 O\n0.392777 0.887954 0.151087 O\n0.392777 0.612046 0.848913 O\n0.107223 0.387954 0.348913 O\n0.107223 0.112046 0.651087 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Rh",
"O"
],
"chemical_system": "O-Rh",
"density": 7.968573348005018,
"density_atomic": 0.09453532491070904,
"volume": 211.56112827549381,
"volume_molar": 6.3702544690972,
"formula_full": "Rh8 O12",
"formula_reduced": "Rh2O3",
"formula_anonymous": "A2B3",
"energy": -139.71841989,
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"updated_at": "2021-11-28T01:37:54.367000Z",
"spacegroup": 60
},
{
"id": "mp-647220",
"created_at": "2022-09-04T14:47:08.538763Z",
"structure_string": "Cd85 Pd27\n1.0\n8.793401 -0.045847 -0.824191\n-3.070293 8.240103 -0.824191\n-0.042355 -0.060643 30.678059\nCd Pd\n85 27\ndirect\n0.336177 0.713167 0.777835 Cd\n0.193124 0.550878 0.447655 Cd\n0.550878 0.193124 0.447655 Cd\n0.267151 0.267151 0.095026 Cd\n0.292215 0.061660 0.230871 Cd\n0.401009 0.401009 0.381000 Cd\n0.876061 0.655070 0.618669 Cd\n0.782105 0.782105 0.145998 Cd\n0.830788 0.061344 0.769129 Cd\n0.103223 0.745470 0.552345 Cd\n0.907935 0.157121 0.079693 Cd\n0.801632 0.443648 0.913850 Cd\n0.394936 0.766864 0.386698 Cd\n0.020009 0.020009 0.619000 Cd\n0.935332 0.558342 0.222165 Cd\n0.942060 0.314976 0.000000 Cd\n0.792757 0.543771 0.305612 Cd\n0.607648 0.981781 0.835392 Cd\n0.981781 0.607648 0.835392 Cd\n0.525984 0.883548 0.703430 Cd\n0.543771 0.792757 0.305612 Cd\n0.657424 0.420789 0.153043 Cd\n0.077428 0.828242 0.920307 Cd\n0.487145 0.238159 0.694388 Cd\n0.148964 0.504161 0.934640 Cd\n0.534728 0.534728 0.473073 Cd\n0.146388 0.772256 0.164608 Cd\n0.267746 0.504381 0.846957 Cd\n0.905074 0.254934 0.467289 Cd\n0.157121 0.907935 0.079693 Cd\n0.149818 0.149818 0.714124 Cd\n0.823693 0.179939 0.681644 Cd\n0.356543 0.356543 0.189870 Cd\n0.671577 0.450224 0.000000 Cd\n0.636107 0.636107 0.854002 Cd\n0.061655 0.061655 0.526927 Cd\n0.380166 0.008238 0.613302 Cd\n0.061660 0.292215 0.230871 Cd\n0.655070 0.876061 0.618669 Cd\n0.787645 0.437785 0.532711 Cd\n0.894615 0.894615 0.330952 Cd\n0.691454 0.691454 0.763781 Cd\n0.713167 0.336177 0.777835 Cd\n0.529955 0.529955 0.573083 Cd\n0.498295 0.142048 0.318356 Cd\n0.166673 0.166673 0.810130 Cd\n0.254934 0.905074 0.467289 Cd\n0.305864 0.305864 1.000000 Cd\n0.437785 0.787645 0.532711 Cd\n0.558342 0.935332 0.222165 Cd\n0.504161 0.148964 0.934640 Cd\n0.805938 0.805938 0.048700 Cd\n0.745470 0.103223 0.552345 Cd\n0.435694 0.435694 0.285876 Cd\n0.956873 0.956873 0.426917 Cd\n0.529798 0.887782 0.086150 Cd\n0.428349 0.189364 0.537224 Cd\n0.927673 0.927673 0.236219 Cd\n0.443648 0.801632 0.913850 Cd\n0.257392 0.036401 0.381331 Cd\n0.883548 0.525984 0.703430 Cd\n0.238159 0.487145 0.694388 Cd\n0.061344 0.830788 0.769129 Cd\n0.214324 0.569520 0.065360 Cd\n0.142048 0.498295 0.318356 Cd\n0.180119 0.822555 0.296570 Cd\n0.766864 0.394936 0.386698 Cd\n0.008238 0.380166 0.613302 Cd\n0.569520 0.214324 0.065360 Cd\n0.172125 0.172125 0.904974 Cd\n0.891126 0.652141 0.462776 Cd\n0.563663 0.563663 0.669048 Cd\n0.179939 0.823693 0.681644 Cd\n0.504381 0.267746 0.846957 Cd\n0.772256 0.146388 0.164608 Cd\n0.887782 0.529798 0.086150 Cd\n0.420789 0.657424 0.153043 Cd\n0.036401 0.257392 0.381331 Cd\n0.189364 0.428349 0.537224 Cd\n0.450224 0.671577 0.000000 Cd\n0.822555 0.180119 0.296570 Cd\n0.652141 0.891126 0.462776 Cd\n0.757239 0.757239 0.951300 Cd\n0.828242 0.077428 0.920307 Cd\n0.314976 0.942060 0.000000 Cd\n0.784024 0.784024 0.538702 Pd\n0.425824 0.075543 0.148311 Pd\n0.166565 0.166565 0.305728 Pd\n0.047070 0.397057 0.764496 Pd\n0.075543 0.425824 0.148311 Pd\n0.027711 0.027711 0.000000 Pd\n0.245322 0.245322 0.461298 Pd\n0.660833 0.014494 0.000000 Pd\n0.908829 0.908829 0.844339 Pd\n0.666194 0.311775 0.617225 Pd\n0.048969 0.694550 0.382775 Pd\n0.860837 0.860837 0.694272 Pd\n0.927232 0.277513 0.851689 Pd\n0.679093 0.679093 0.384964 Pd\n0.541432 0.541432 0.077213 Pd\n0.282574 0.632561 0.235504 Pd\n0.064490 0.064490 0.155661 Pd\n0.643930 0.643930 0.229274 Pd\n0.464219 0.464219 0.922787 Pd\n0.694550 0.048969 0.382775 Pd\n0.014494 0.660833 0.000000 Pd\n0.294129 0.294129 0.615036 Pd\n0.397057 0.047070 0.764496 Pd\n0.277513 0.927232 0.851689 Pd\n0.311775 0.666194 0.617225 Pd\n0.632561 0.282574 0.235504 Pd\n0.414656 0.414656 0.770726 Pd\n",
"nsites": 112,
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"volume": 2217.686484164501,
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"formula_full": "Cd85 Pd27",
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"formula_anonymous": "A27B85",
"energy": -244.40722457,
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"updated_at": "2021-11-28T01:37:53.816000Z",
"spacegroup": 42
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{
"id": "mp-20831",
"created_at": "2022-09-04T14:47:08.400571Z",
"structure_string": "Gd8 Sb6\n1.0\n-4.672374 4.672374 4.672374\n4.672374 -4.672374 4.672374\n4.672374 4.672374 -4.672374\nGd Sb\n8 6\ndirect\n0.500000 0.000000 0.352767 Gd\n0.500000 0.000000 0.852767 Gd\n0.647233 0.647233 0.647233 Gd\n0.000000 0.352767 0.500000 Gd\n0.147233 0.147233 0.147233 Gd\n0.852767 0.500000 0.000000 Gd\n0.000000 0.852767 0.500000 Gd\n0.352767 0.500000 0.000000 Gd\n0.125000 0.750000 0.875000 Sb\n0.875000 0.125000 0.750000 Sb\n0.625000 0.375000 0.250000 Sb\n0.375000 0.250000 0.625000 Sb\n0.750000 0.875000 0.125000 Sb\n0.250000 0.625000 0.375000 Sb\n",
"nsites": 14,
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"density": 8.093101920233732,
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"volume": 408.0118598312092,
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"formula_full": "Gd8 Sb6",
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{
"id": "mp-1183693",
"created_at": "2022-09-04T14:47:08.335570Z",
"structure_string": "Cr1 Hg3\n1.0\n4.439138 0.000000 0.000000\n0.000000 4.439138 0.000000\n0.000000 0.000000 4.439138\nCr Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
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"volume": 87.47741452710557,
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"formula_full": "Cr1 Hg3",
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"spacegroup": 221
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{
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"structure_string": "Ge3 Mo1\n1.0\n-1.994287 1.994287 4.245316\n1.994287 -1.994287 4.245316\n1.994287 1.994287 -4.245316\nGe Mo\n3 1\ndirect\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Mo\n",
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{
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"created_at": "2022-09-04T14:47:04.353143Z",
"structure_string": "Hg2 I4\n1.0\n2.652179 -3.826427 0.000000\n2.652179 3.826427 0.000000\n0.000000 0.000000 14.381705\nHg I\n2 4\ndirect\n0.343746 0.656254 0.498641 Hg\n0.656254 0.343746 0.998641 Hg\n0.407753 0.592247 0.869925 I\n0.592247 0.407753 0.369925 I\n0.903275 0.096725 0.128134 I\n0.096725 0.903275 0.628134 I\n",
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{
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"created_at": "2022-09-04T14:47:10.693003Z",
"structure_string": "Co1 Pt1\n1.0\n2.698393 0.000000 0.000000\n0.000000 2.698393 0.000000\n0.000000 0.000000 3.726631\nCo Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pt\n",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.35086597,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.2618898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.078000Z",
"spacegroup": 123
},
{
"id": "mp-867238",
"created_at": "2022-09-04T14:47:11.291624Z",
"structure_string": "Sm1 Pb3\n1.0\n4.994428 0.000000 0.000000\n0.000000 4.994428 0.000000\n0.000000 0.000000 4.994428\nSm Pb\n1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pb"
],
"chemical_system": "Pb-Sm",
"density": 10.289318833258628,
"density_atomic": 0.03210722128598154,
"volume": 124.5825655347651,
"volume_molar": 18.756343647307002,
"formula_full": "Sm1 Pb3",
"formula_reduced": "SmPb3",
"formula_anonymous": "AB3",
"energy": -17.22564039,
"energy_per_atom": -4.3064100975,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -17.22564039,
"band_gap": 0.0,
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"total_magnetization": 0.0049159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.327000Z",
"spacegroup": 221
}
]
}