HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formation_energy&page=72",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formation_energy&page=70",
"results": [
{
"id": "oqmd-1589676",
"created_at": "2022-09-04T15:57:20.369627Z",
"updated_at": "2022-09-04T15:57:20.369654Z",
"structure_string": "Br2 N4\n1.0\n0.000000 3.259938 3.259938\n3.259938 0.000000 3.259938\n3.259938 3.259938 0.000000\nBr N\n2 4\ndirect\n0.500000 0.500000 0.500000 Br\n0.750000 0.750000 0.750000 Br\n0.125000 0.125000 0.125000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Br",
"N"
],
"chemical_system": "Br-N",
"density": 5.172643524595582,
"density_atomic": 0.08659508313909163,
"volume": 69.28799860798816,
"volume_molar": 6.954368009933146,
"formula_full": "Br2 N4",
"formula_reduced": "BrN2",
"formula_anonymous": "AB2",
"formation_energy": 3.381479655632384,
"spacegroup": 227
},
{
"id": "oqmd-347295",
"created_at": "2022-09-04T14:51:10.680094Z",
"updated_at": "2022-09-04T14:51:10.680120Z",
"structure_string": "Ge1 C3\n1.0\n3.358413 0.000000 0.000000\n0.000000 3.358413 0.000000\n0.000000 0.000000 3.358413\nC Ge\n3 1\ndirect\n0.500001 0.500001 0.000000 C\n0.500001 0.000000 0.500001 C\n0.000000 0.500001 0.500001 C\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"Ge"
],
"chemical_system": "C-Ge",
"density": 4.7639242797778785,
"density_atomic": 0.10559848422076439,
"volume": 37.87933159757855,
"volume_molar": 5.702866669383342,
"formula_full": "Ge1 C3",
"formula_reduced": "GeC3",
"formula_anonymous": "AB3",
"formation_energy": 3.380776985625,
"spacegroup": 221
},
{
"id": "oqmd-1472399",
"created_at": "2022-09-04T15:51:39.889777Z",
"updated_at": "2022-09-04T15:51:39.889803Z",
"structure_string": "Ga8 Ir1\n1.0\n6.556078 0.000000 0.000000\n-3.278039 5.677730 0.000000\n0.000000 0.000000 3.542887\nGa Ir\n8 1\ndirect\n0.335746 0.167873 0.000000 Ga\n0.832127 0.167873 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.167873 0.335746 0.000000 Ga\n0.832127 0.664254 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.167873 0.832127 0.000000 Ga\n0.664254 0.832127 0.000000 Ga\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 9.443539280347284,
"density_atomic": 0.06824429641379713,
"volume": 131.8791528808325,
"volume_molar": 8.824386910643698,
"formula_full": "Ga8 Ir1",
"formula_reduced": "Ga8Ir",
"formula_anonymous": "AB8",
"formation_energy": 3.380475796666667,
"spacegroup": 191
},
{
"id": "oqmd-1236667",
"created_at": "2022-09-04T15:40:27.339363Z",
"updated_at": "2022-09-04T15:40:27.339388Z",
"structure_string": "Hf2 Tc4\n1.0\n0.000000 5.760783 5.760783\n5.760783 0.000000 5.760783\n5.760783 5.760783 0.000000\nHf Tc\n2 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.500000 0.500000 0.500000 Hf\n0.375000 0.375000 0.375000 Tc\n0.874999 0.375000 0.375000 Tc\n0.375000 0.874999 0.375000 Tc\n0.375000 0.375000 0.874999 Tc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Tc"
],
"chemical_system": "Hf-Tc",
"density": 3.252705722534932,
"density_atomic": 0.01569194241667239,
"volume": 382.3618415541159,
"volume_molar": 38.37728051819506,
"formula_full": "Hf2 Tc4",
"formula_reduced": "HfTc2",
"formula_anonymous": "AB2",
"formation_energy": 3.38037568166667,
"spacegroup": 227
},
{
"id": "oqmd-321814",
"created_at": "2022-09-04T14:50:54.405330Z",
"updated_at": "2022-09-04T14:50:54.405344Z",
"structure_string": "C2 N6\n1.0\n4.273195 0.000000 0.000000\n-2.136597 3.700695 0.000000\n0.000000 0.000000 4.421698\nC N\n2 6\ndirect\n0.666667 0.333332 0.249999 C\n0.333333 0.666667 0.749999 C\n0.109188 0.218375 0.249999 N\n0.109189 0.890811 0.249999 N\n0.781625 0.890811 0.249999 N\n0.218375 0.109188 0.749999 N\n0.890814 0.109188 0.749999 N\n0.890814 0.781626 0.749999 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.5662290031410886,
"density_atomic": 0.11441024219260684,
"volume": 69.92380967546765,
"volume_molar": 5.263637804263952,
"formula_full": "C2 N6",
"formula_reduced": "CN3",
"formula_anonymous": "AB3",
"formation_energy": 3.37967334036737,
"spacegroup": 194
},
{
"id": "oqmd-343190",
"created_at": "2022-09-04T14:51:03.929932Z",
"updated_at": "2022-09-04T14:51:03.929953Z",
"structure_string": "In1 C3\n1.0\n3.532811 0.000000 0.000000\n0.000000 3.532811 0.000000\n0.000000 0.000000 3.532811\nC In\n3 1\ndirect\n0.000000 0.499998 0.499998 C\n0.499998 0.000000 0.499998 C\n0.499998 0.499998 0.000000 C\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"In"
],
"chemical_system": "C-In",
"density": 5.681113788774862,
"density_atomic": 0.09071910968942605,
"volume": 44.09214347113713,
"volume_molar": 6.63822735983257,
"formula_full": "In1 C3",
"formula_reduced": "InC3",
"formula_anonymous": "AB3",
"formation_energy": 3.377173909375,
"spacegroup": 221
},
{
"id": "oqmd-1223481",
"created_at": "2022-09-04T15:39:13.464858Z",
"updated_at": "2022-09-04T15:39:13.464900Z",
"structure_string": "Na1 Ta1\n1.0\n0.000000 3.435439 3.435439\n3.435439 0.000000 3.435439\n3.435439 3.435439 0.000000\nNa Ta\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Ta\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Ta"
],
"chemical_system": "Na-Ta",
"density": 4.176089388784909,
"density_atomic": 0.024663418670445948,
"volume": 81.09175888079903,
"volume_molar": 24.417299322807594,
"formula_full": "Na1 Ta1",
"formula_reduced": "NaTa",
"formula_anonymous": "AB",
"formation_energy": 3.37345306457418,
"spacegroup": 216
},
{
"id": "oqmd-1240685",
"created_at": "2022-09-04T15:40:53.296750Z",
"updated_at": "2022-09-04T15:40:53.296771Z",
"structure_string": "Y2 Zr4\n1.0\n4.146001 2.393695 6.770391\n-4.146001 2.393695 6.770391\n0.000000 -4.787389 6.770391\nY Zr\n2 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n0.625000 0.625000 0.124999 Zr\n0.625000 0.124999 0.625000 Zr\n0.124999 0.625000 0.625000 Zr\n0.625000 0.625000 0.625000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Zr"
],
"chemical_system": "Y-Zr",
"density": 2.235382904761276,
"density_atomic": 0.014882918200300662,
"volume": 403.14674308152746,
"volume_molar": 40.46344056287524,
"formula_full": "Y2 Zr4",
"formula_reduced": "YZr2",
"formula_anonymous": "AB2",
"formation_energy": 3.37249945333333,
"spacegroup": 227
},
{
"id": "oqmd-991188",
"created_at": "2022-09-04T15:35:47.746077Z",
"updated_at": "2022-09-04T15:35:47.746105Z",
"structure_string": "Rb1 Fe1 W1\n1.0\n0.000000 3.591773 3.591773\n3.591773 0.000000 3.591773\n3.591773 3.591773 0.000000\nFe Rb W\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Rb\n0.750000 0.750000 0.750000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Fe",
"Rb",
"W"
],
"chemical_system": "Fe-Rb-W",
"density": 5.826127111907651,
"density_atomic": 0.032371633489564025,
"volume": 92.67372933056161,
"volume_molar": 18.603141426092755,
"formula_full": "Rb1 Fe1 W1",
"formula_reduced": "RbFeW",
"formula_anonymous": "ABC",
"formation_energy": 3.37215976333333,
"spacegroup": 216
},
{
"id": "oqmd-309050",
"created_at": "2022-09-04T14:50:02.946329Z",
"updated_at": "2022-09-04T14:50:02.946355Z",
"structure_string": "Na1 C3\n1.0\n0.000000 2.663397 2.663397\n2.663397 0.000000 2.663397\n2.663397 2.663397 0.000000\nC Na\n3 1\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 C\n0.499999 0.499999 0.499999 C\n0.750001 0.750001 0.750001 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"Na"
],
"chemical_system": "C-Na",
"density": 2.593727478264367,
"density_atomic": 0.10585765692025349,
"volume": 37.786591129759735,
"volume_molar": 5.688904265599514,
"formula_full": "Na1 C3",
"formula_reduced": "NaC3",
"formula_anonymous": "AB3",
"formation_energy": 3.37178377416209,
"spacegroup": 225
},
{
"id": "oqmd-1239870",
"created_at": "2022-09-04T15:40:51.087309Z",
"updated_at": "2022-09-04T15:40:51.087329Z",
"structure_string": "Ir4 Pd2\n1.0\n3.938889 2.274119 6.432180\n-3.938889 2.274119 6.432180\n0.000000 -4.548238 6.432180\nIr Pd\n4 2\ndirect\n0.375000 0.375000 0.375000 Ir\n0.875001 0.375000 0.375000 Ir\n0.375000 0.875001 0.375000 Ir\n0.375000 0.375000 0.875001 Ir\n0.250000 0.250000 0.250000 Pd\n0.499998 0.499998 0.499998 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"Pd"
],
"chemical_system": "Ir-Pd",
"density": 4.715579367569028,
"density_atomic": 0.017356209418441838,
"volume": 345.69760339632114,
"volume_molar": 34.697327134121664,
"formula_full": "Ir4 Pd2",
"formula_reduced": "Ir2Pd",
"formula_anonymous": "AB2",
"formation_energy": 3.36928412166667,
"spacegroup": 227
},
{
"id": "oqmd-311367",
"created_at": "2022-09-04T14:50:18.122613Z",
"updated_at": "2022-09-04T14:50:18.122639Z",
"structure_string": "As1 C3\n1.0\n0.000000 2.644354 2.644354\n2.644354 0.000000 2.644354\n2.644354 2.644354 0.000000\nAs C\n1 3\ndirect\n0.750000 0.750000 0.750000 As\n0.000000 0.000000 0.000000 C\n0.250001 0.250001 0.250001 C\n0.499999 0.499999 0.499999 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"C"
],
"chemical_system": "As-C",
"density": 4.981981492495469,
"density_atomic": 0.10816112963115501,
"volume": 36.98186227936574,
"volume_molar": 5.567749505331873,
"formula_full": "As1 C3",
"formula_reduced": "AsC3",
"formula_anonymous": "AB3",
"formation_energy": 3.368382983125,
"spacegroup": 225
}
]
}