Oqmd Structure
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"created_at": "2022-09-04T15:26:18.206799Z", "updated_at": "2022-09-04T15:26:18.206825Z", "structure_string": "Ca1 Cu1 Tc1 Ru1\n1.0\n0.000000 3.164946 3.164946\n3.164946 0.000000 3.164946\n3.164946 3.164946 0.000000\nCa Cu Ru Tc\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ca\n0.750002 0.750002 0.750002 Cu\n0.000000 0.000000 0.000000 Ru\n0.250001 0.250001 0.250001 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ru", "Tc" ], "chemical_system": "Ca-Cu-Ru-Tc", "density": 7.927276394424915, "density_atomic": 0.0630857226204018, "volume": 63.405788724474526, "volume_molar": 9.545964617440163, "formula_full": "Ca1 Cu1 Tc1 Ru1", "formula_reduced": "CaCuTcRu", "formula_anonymous": "ABCD", "formation_energy": 0.38357677125, "spacegroup": 216 }, { "id": "oqmd-999675", "created_at": "2022-09-04T15:26:16.870029Z", "updated_at": "2022-09-04T15:26:16.870055Z", "structure_string": "Ca1 Cu1 Tc1 Ru1\n1.0\n0.000000 3.195788 3.195788\n3.195788 0.000000 3.195788\n3.195788 3.195788 0.000000\nCa Cu Ru Tc\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ru", "Tc" ], "chemical_system": "Ca-Cu-Ru-Tc", "density": 7.699969931640794, "density_atomic": 0.061276804683453284, "volume": 65.27755519667508, "volume_molar": 9.827765646576172, "formula_full": "Ca1 Cu1 Tc1 Ru1", "formula_reduced": "CaCuTcRu", "formula_anonymous": "ABCD", "formation_energy": 0.81343028375, "spacegroup": 216 }, { "id": "oqmd-999674", "created_at": "2022-09-04T15:26:17.007454Z", "updated_at": "2022-09-04T15:26:17.007479Z", "structure_string": "Ca1 Cu1 Tc1 Os1\n1.0\n0.000000 3.180235 3.180235\n3.180235 0.000000 3.180235\n3.180235 3.180235 0.000000\nCa Cu Os Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Os\n0.500001 0.500001 0.500001 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Os", "Tc" ], "chemical_system": "Ca-Cu-Os-Tc", "density": 10.11499674827606, "density_atomic": 0.06218023470589686, "volume": 64.32912353771897, "volume_molar": 9.68497592278932, "formula_full": "Ca1 Cu1 Tc1 Os1", "formula_reduced": "CaCuTcOs", "formula_anonymous": "ABCD", "formation_energy": 0.45404447875, "spacegroup": 216 }, { "id": "oqmd-999673", "created_at": "2022-09-04T15:26:16.012639Z", "updated_at": "2022-09-04T15:26:16.012667Z", "structure_string": "Ca1 Cu1 Tc1 Os1\n1.0\n0.000000 3.166768 3.166768\n3.166768 0.000000 3.166768\n3.166768 3.166768 0.000000\nCa Cu Os Tc\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Os\n0.250001 0.250001 0.250001 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Os", "Tc" ], "chemical_system": "Ca-Cu-Os-Tc", "density": 10.244591432141442, "density_atomic": 0.06297689614434561, "volume": 63.51535634325066, "volume_molar": 9.56246040801536, "formula_full": "Ca1 Cu1 Tc1 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"2022-09-04T15:26:16.102289Z", "structure_string": "Ca1 Fe1 Cu1 Tc1\n1.0\n0.000000 3.171393 3.171393\n3.171393 0.000000 3.171393\n3.171393 3.171393 0.000000\nCa Cu Fe Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.249999 0.249999 0.249999 Fe\n0.499999 0.499999 0.499999 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Fe", "Tc" ], "chemical_system": "Ca-Cu-Fe-Tc", "density": 6.701836959536549, "density_atomic": 0.06270177075274597, "volume": 63.794051618946085, "volume_molar": 9.604418962499981, "formula_full": "Ca1 Fe1 Cu1 Tc1", "formula_reduced": "CaFeCuTc", "formula_anonymous": "ABCD", "formation_energy": 0.528395168749999, "spacegroup": 216 }, { "id": "oqmd-999670", "created_at": "2022-09-04T15:26:16.069330Z", "updated_at": "2022-09-04T15:26:16.069350Z", "structure_string": "Ca1 Fe1 Cu1 Tc1\n1.0\n0.000000 3.096877 3.096877\n3.096877 0.000000 3.096877\n3.096877 3.096877 0.000000\nCa Cu Fe Tc\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Fe", "Tc" ], "chemical_system": "Ca-Cu-Fe-Tc", "density": 7.197342635333942, "density_atomic": 0.06733767632283329, "volume": 59.40210916728136, "volume_molar": 8.943196571156367, "formula_full": "Ca1 Fe1 Cu1 Tc1", "formula_reduced": "CaFeCuTc", "formula_anonymous": "ABCD", "formation_energy": 0.608597618749999, "spacegroup": 216 }, { "id": "oqmd-999669", "created_at": "2022-09-04T15:26:16.367116Z", "updated_at": "2022-09-04T15:26:16.367145Z", "structure_string": "Ca1 Fe1 Cu1 Tc1\n1.0\n0.000000 3.184417 3.184417\n3.184417 0.000000 3.184417\n3.184417 3.184417 0.000000\nCa Cu Fe Tc\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Fe", "Tc" ], "chemical_system": "Ca-Cu-Fe-Tc", 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"Ca1 Cr1 Cu1 Rh1\n1.0\n0.000000 3.232947 3.232947\n3.232947 0.000000 3.232947\n3.232947 3.232947 0.000000\nCa Cr Cu Rh\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Ca\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cr", "Cu", "Rh" ], "chemical_system": "Ca-Cr-Cu-Rh", "density": 6.3522400497360705, "density_atomic": 0.05918807844799868, "volume": 67.58117690058667, "volume_molar": 10.174584000544836, "formula_full": "Ca1 Cr1 Cu1 Rh1", "formula_reduced": "CaCrCuRh", "formula_anonymous": "ABCD", "formation_energy": 0.28291767, "spacegroup": 216 } ] }{ "count": 1013513, "next": "