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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=111",
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"results": [
{
"id": "mp-1096204",
"created_at": "2022-09-04T14:41:51.209315Z",
"structure_string": "Na1 Sr1 Pb2\n1.0\n-6.362609 6.946207 9.744699\n6.362609 -6.946207 9.744699\n6.362609 6.946207 -9.744699\nNa Sr Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.247288 0.247288 Pb\n0.000000 0.752712 0.752712 Pb\n",
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{
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"structure_string": "K1 Li3\n1.0\n-2.448963 2.448963 5.265848\n2.448963 -2.448963 5.265848\n2.448963 2.448963 -5.265848\nK Li\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n",
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"updated_at": "2021-11-28T01:35:14.915000Z",
"spacegroup": 139
},
{
"id": "mp-867",
"created_at": "2022-09-04T14:39:09.945640Z",
"structure_string": "Er1 Cd1\n1.0\n3.719933 0.000000 0.000000\n0.000000 3.719933 0.000000\n0.000000 0.000000 3.719933\nEr Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Cd\n",
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"elements": [
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"density": 9.021725863029195,
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"volume": 51.47606653169695,
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"formula_full": "Er1 Cd1",
"formula_reduced": "ErCd",
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"total_magnetization": 0.0007591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.827000Z",
"spacegroup": 221
},
{
"id": "mp-1059357",
"created_at": "2022-09-04T14:42:53.177443Z",
"structure_string": "Na1 Se1\n1.0\n0.000000 2.993261 2.993261\n2.993261 0.000000 2.993261\n2.993261 2.993261 0.000000\nNa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
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"elements": [
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"density": 3.1562513959596097,
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"volume": 53.63691084208647,
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"formula_full": "Na1 Se1",
"formula_reduced": "NaSe",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:57.554000Z",
"spacegroup": 225
},
{
"id": "mp-975390",
"created_at": "2022-09-04T14:42:21.224209Z",
"structure_string": "Rb1 Ca3\n1.0\n0.000000 4.631368 4.631368\n4.631368 0.000000 4.631368\n4.631368 4.631368 0.000000\nRb Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
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"elements": [
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"Ca"
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"density": 1.7192115572406015,
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"volume": 198.68170006847896,
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"formula_full": "Rb1 Ca3",
"formula_reduced": "RbCa3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:44.990000Z",
"spacegroup": 225
},
{
"id": "mp-2691",
"created_at": "2022-09-04T14:40:08.006036Z",
"structure_string": "Cd1 Se1\n1.0\n0.000000 3.106417 3.106417\n3.106417 0.000000 3.106417\n3.106417 3.106417 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Se\n",
"nsites": 2,
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"elements": [
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"Se"
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"density": 5.300489339037397,
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"volume": 59.952770657212426,
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"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -6.130016,
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"band_gap": 0.5096,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.924000Z",
"spacegroup": 216
},
{
"id": "mp-1094944",
"created_at": "2022-09-04T14:39:36.581325Z",
"structure_string": "Sr2 Mg2\n1.0\n4.148888 0.000000 0.000000\n0.000000 6.065173 0.000000\n0.000000 0.000000 6.091712\nSr Mg\n2 2\ndirect\n0.000000 0.095774 0.000000 Sr\n0.500000 0.904226 0.500000 Sr\n0.500000 0.585694 0.000000 Mg\n0.000000 0.414306 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4248893672965535,
"density_atomic": 0.026094304404438107,
"volume": 153.29015627332384,
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"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -6.13060598,
"energy_per_atom": -1.532651495,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0035619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.200000Z",
"spacegroup": 59
},
{
"id": "mp-1057818",
"created_at": "2022-09-04T14:42:24.625342Z",
"structure_string": "O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
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"elements": [
"O"
],
"chemical_system": "O",
"density": 2.7000663693942357,
"density_atomic": 0.1016299345191283,
"volume": 19.679241253703353,
"volume_molar": 5.925558043990024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.13423966,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.13423966,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:50.200000Z",
"spacegroup": 227
},
{
"id": "mp-1097612",
"created_at": "2022-09-04T14:42:10.202638Z",
"structure_string": "Na1 Ag2 Sn1\n1.0\n-5.378962 5.779855 8.833547\n5.378962 -5.779855 8.833547\n5.378962 5.779855 -8.833547\nNa Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.261581 0.000000 0.261581 Ag\n0.738419 0.000000 0.738419 Ag\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Ag",
"Sn"
],
"chemical_system": "Ag-Na-Sn",
"density": 0.5403026026167213,
"density_atomic": 0.0036412412696016864,
"volume": 1098.5264924335975,
"volume_molar": 165.387029150605,
"formula_full": "Na1 Ag2 Sn1",
"formula_reduced": "NaAg2Sn",
"formula_anonymous": "ABC2",
"energy": -6.13477469,
"energy_per_atom": -1.5336936725,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:43.377000Z",
"spacegroup": 71
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{
"id": "mp-1094967",
"created_at": "2022-09-04T14:42:44.502515Z",
"structure_string": "Mg1 Sb1\n1.0\n3.655308 0.000000 0.000000\n0.000000 3.655308 0.000000\n0.000000 0.000000 3.655308\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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],
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"density": 4.96618998423802,
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"volume": 48.83958115431297,
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"formula_full": "Mg1 Sb1",
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"updated_at": "2021-11-28T01:35:57.945000Z",
"spacegroup": 221
},
{
"id": "mp-631517",
"created_at": "2022-09-04T14:46:36.370846Z",
"structure_string": "Ba1 Be1 Ga1\n1.0\n0.000000 3.669426 3.669426\n3.669426 0.000000 3.669426\n3.669426 3.669426 0.000000\nBa Be Ga\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 3,
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"density": 3.630809456534747,
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"volume": 98.8153463630833,
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"formula_full": "Ba1 Be1 Ga1",
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{
"id": "mp-1094791",
"created_at": "2022-09-04T14:42:44.415737Z",
"structure_string": "Mg3 Zn1\n1.0\n4.354389 0.000000 0.000000\n0.000000 4.354389 0.000000\n0.000000 0.000000 4.354389\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
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"elements": [
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"volume": 82.56227902838577,
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"formula_full": "Mg3 Zn1",
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"energy": -6.13878965,
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"updated_at": "2021-11-28T01:35:57.366000Z",
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}
]
}