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=-formula_reduced&page=43",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_reduced&page=41",
"results": [
{
"id": "oqmd-1017801",
"created_at": "2022-09-04T15:27:49.318891Z",
"updated_at": "2022-09-04T15:27:49.318918Z",
"structure_string": "Zr1 Zn1 Co2\n1.0\n4.059150 0.000000 0.000000\n0.000000 4.059150 0.000000\n0.000000 0.000000 3.315977\nCo Zn Zr\n2 1 1\ndirect\n0.499999 0.000000 0.500000 Co\n0.000000 0.499999 0.500000 Co\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.000000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 8.342741187580774,
"density_atomic": 0.07321132738870313,
"volume": 54.636353999739384,
"volume_molar": 8.22569535999049,
"formula_full": "Zr1 Zn1 Co2",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
"formation_energy": -0.246667137499999,
"spacegroup": 123
},
{
"id": "oqmd-1042450",
"created_at": "2022-09-04T15:32:05.561470Z",
"updated_at": "2022-09-04T15:32:05.561501Z",
"structure_string": "Zr2 Zn2 Co4\n1.0\n2.139460 -3.705654 0.000000\n2.139460 3.705654 0.000000\n0.000000 0.000000 7.281250\nCo Zn Zr\n4 2 2\ndirect\n0.666667 0.333333 0.098549 Co\n0.666667 0.333333 0.401452 Co\n0.333333 0.666667 0.598548 Co\n0.333333 0.666667 0.901451 Co\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500001 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 7.896152017335574,
"density_atomic": 0.06929230542506583,
"volume": 115.45293450585751,
"volume_molar": 8.690922784366686,
"formula_full": "Zr2 Zn2 Co4",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
"formation_energy": -0.151350083749999,
"spacegroup": 194
},
{
"id": "oqmd-1043118",
"created_at": "2022-09-04T15:32:09.300338Z",
"updated_at": "2022-09-04T15:32:09.300368Z",
"structure_string": "Zr2 Zn2 Co4\n1.0\n2.065712 -3.577918 0.000000\n2.065712 3.577918 0.000000\n0.000000 0.000000 7.832663\nCo Zn Zr\n4 2 2\ndirect\n0.666666 0.333333 0.092325 Co\n0.666666 0.333333 0.407675 Co\n0.333333 0.666666 0.592326 Co\n0.333333 0.666666 0.907675 Co\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666666 0.250001 Zr\n0.666666 0.333333 0.750000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 7.8737366368387525,
"density_atomic": 0.06909560032260646,
"volume": 115.78161218150076,
"volume_molar": 8.715664574709104,
"formula_full": "Zr2 Zn2 Co4",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
"formation_energy": -0.176830506249999,
"spacegroup": 194
},
{
"id": "oqmd-1123018",
"created_at": "2022-09-04T15:44:19.359534Z",
"updated_at": "2022-09-04T15:44:19.359557Z",
"structure_string": "Zr1 Zn1 Co2\n1.0\n0.000000 3.068159 3.068159\n3.068159 0.000000 3.068159\n3.068159 3.068159 0.000000\nCo Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 7.890906530297123,
"density_atomic": 0.06924627390374082,
"volume": 57.76484097267669,
"volume_molar": 8.696700082911859,
"formula_full": "Zr1 Zn1 Co2",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
"formation_energy": 0.0044795300000011,
"spacegroup": 216
},
{
"id": "oqmd-1214241",
"created_at": "2022-09-04T15:40:25.414257Z",
"updated_at": "2022-09-04T15:40:25.414284Z",
"structure_string": "Zr1 Zn2 Co2\n1.0\n-1.845064 1.845064 5.384576\n1.845064 -1.845064 5.384576\n1.845064 1.845064 -5.384576\nCo Zn Zr\n2 2 1\ndirect\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.390661 0.390661 0.000000 Zn\n0.609338 0.609338 0.000000 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 7.697976998129297,
"density_atomic": 0.06819234598180604,
"volume": 73.32201184769355,
"volume_molar": 8.831109523063965,
"formula_full": "Zr1 Zn2 Co2",
"formula_reduced": "Zr(ZnCo)2",
"formula_anonymous": "AB2C2",
"formation_energy": 0.0182723920000001,
"spacegroup": 139
},
{
"id": "oqmd-914165",
"created_at": "2022-09-04T15:40:20.497514Z",
"updated_at": "2022-09-04T15:40:20.497542Z",
"structure_string": "Zr1 Zn1 Co1\n1.0\n0.000000 2.902020 2.902020\n2.902020 0.000000 2.902020\n2.902020 2.902020 0.000000\nCo Zn Zr\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 7.323160529011388,
"density_atomic": 0.06137479514683141,
"volume": 48.8800002154448,
"volume_molar": 9.812074721541297,
"formula_full": "Zr1 Zn1 Co1",
"formula_reduced": "ZrZnCo",
"formula_anonymous": "ABC",
"formation_energy": 0.303927470000001,
"spacegroup": 216
},
{
"id": "oqmd-860579",
"created_at": "2022-09-04T15:31:15.464032Z",
"updated_at": "2022-09-04T15:31:15.464052Z",
"structure_string": "Zr1 Zn1 Co1\n1.0\n0.000000 2.966083 2.966083\n2.966083 0.000000 2.966083\n2.966083 2.966083 0.000000\nCo Zn Zr\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750001 0.750001 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 6.858827154135366,
"density_atomic": 0.057483256015611515,
"volume": 52.18911049828578,
"volume_molar": 10.476338985329024,
"formula_full": "Zr1 Zn1 Co1",
"formula_reduced": "ZrZnCo",
"formula_anonymous": "ABC",
"formation_energy": -0.0565750966666651,
"spacegroup": 216
},
{
"id": "oqmd-987310",
"created_at": "2022-09-04T15:35:43.673487Z",
"updated_at": "2022-09-04T15:35:43.673508Z",
"structure_string": "Zr1 Zn1 Co1\n1.0\n0.000000 3.047684 3.047684\n3.047684 0.000000 3.047684\n3.047684 3.047684 0.000000\nCo Zn Zr\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"Zn",
"Zr"
],
"chemical_system": "Co-Zn-Zr",
"density": 6.322516226521034,
"density_atomic": 0.05298847904234471,
"volume": 56.61608059371941,
"volume_molar": 11.36500022049609,
"formula_full": "Zr1 Zn1 Co1",
"formula_reduced": "ZrZnCo",
"formula_anonymous": "ABC",
"formation_energy": 0.504185483333334,
"spacegroup": 216
},
{
"id": "oqmd-1724132",
"created_at": "2022-09-04T16:01:11.187386Z",
"updated_at": "2022-09-04T16:01:11.187412Z",
"structure_string": "Zr1 Zn1 Cl6\n1.0\n6.222351 0.000000 0.000000\n3.110504 5.391595 0.000000\n3.108323 1.795930 5.660354\nCl Zn Zr\n6 1 1\ndirect\n0.906053 0.594933 0.248628 Cl\n0.594539 0.250357 0.248735 Cl\n0.250070 0.906104 0.249057 Cl\n0.749930 0.093896 0.750943 Cl\n0.405461 0.749643 0.751265 Cl\n0.093947 0.405067 0.751372 Cl\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cl",
"Zn",
"Zr"
],
"chemical_system": "Cl-Zn-Zr",
"density": 3.229780558696859,
"density_atomic": 0.042128367119851844,
"volume": 189.89580054789778,
"volume_molar": 14.29474050790407,
"formula_full": "Zr1 Zn1 Cl6",
"formula_reduced": "ZrZnCl6",
"formula_anonymous": "ABC6",
"formation_energy": -1.7165409117143415,
"spacegroup": 148
},
{
"id": "oqmd-1724546",
"created_at": "2022-09-04T16:01:15.857719Z",
"updated_at": "2022-09-04T16:01:15.857746Z",
"structure_string": "Zr1 Zn1 Cl6\n1.0\n0.000000 4.921940 4.921940\n4.921940 0.000000 4.921940\n4.921940 4.921940 0.000000\nCl Zn Zr\n6 1 1\ndirect\n0.750913 0.249087 0.249087 Cl\n0.249087 0.750913 0.249087 Cl\n0.750913 0.750913 0.249087 Cl\n0.249087 0.249087 0.750913 Cl\n0.750913 0.249087 0.750913 Cl\n0.249087 0.750913 0.750913 Cl\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cl",
"Zn",
"Zr"
],
"chemical_system": "Cl-Zn-Zr",
"density": 2.5718725036643404,
"density_atomic": 0.03354679584285443,
"volume": 238.47284961207478,
"volume_molar": 17.951463347527824,
"formula_full": "Zr1 Zn1 Cl6",
"formula_reduced": "ZrZnCl6",
"formula_anonymous": "ABC6",
"formation_energy": -1.6617969567143418,
"spacegroup": 225
},
{
"id": "oqmd-807414",
"created_at": "2022-09-04T15:25:42.819936Z",
"updated_at": "2022-09-04T15:25:42.819968Z",
"structure_string": "Zr1 Zn1 Cd1 Fe1\n1.0\n0.000000 3.264568 3.264568\n3.264568 0.000000 3.264568\n3.264568 3.264568 0.000000\nCd Fe Zn Zr\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Zn\n0.249999 0.249999 0.249999 Zr\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Cd",
"Fe",
"Zn",
"Zr"
],
"chemical_system": "Cd-Fe-Zn-Zr",
"density": 7.753127953401431,
"density_atomic": 0.057484775270088356,
"volume": 69.58364160260292,
"volume_molar": 10.47606210810667,
"formula_full": "Zr1 Zn1 Cd1 Fe1",
"formula_reduced": "ZrZnCdFe",
"formula_anonymous": "ABCD",
"formation_energy": 0.1072294775,
"spacegroup": 216
},
{
"id": "oqmd-806636",
"created_at": "2022-09-04T15:25:39.411191Z",
"updated_at": "2022-09-04T15:25:39.411204Z",
"structure_string": "Zr1 Zn1 Cd1 Fe1\n1.0\n0.000000 3.259924 3.259924\n3.259924 0.000000 3.259924\n3.259924 3.259924 0.000000\nCd Fe Zn Zr\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750001 Fe\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zr\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Cd",
"Fe",
"Zn",
"Zr"
],
"chemical_system": "Cd-Fe-Zn-Zr",
"density": 7.786309870902493,
"density_atomic": 0.05773079920804522,
"volume": 69.28710592737767,
"volume_molar": 10.431417618692468,
"formula_full": "Zr1 Zn1 Cd1 Fe1",
"formula_reduced": "ZrZnCdFe",
"formula_anonymous": "ABCD",
"formation_energy": 0.1188654375,
"spacegroup": 216
}
]
}