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_anonymous&page=12",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=10",
"results": [
{
"id": "oqmd-758456",
"created_at": "2022-09-04T15:21:49.613974Z",
"updated_at": "2022-09-04T15:21:49.614004Z",
"structure_string": "Zr2\n1.0\n2.789149 -1.610352 0.000000\n2.789117 1.610297 0.000000\n0.000000 0.000000 5.199670\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333401 0.333301 0.499999 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.486341385109031,
"density_atomic": 0.04281950018858944,
"volume": 46.707691383398284,
"volume_molar": 14.06401460427318,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0004466650000001,
"spacegroup": 194
},
{
"id": "oqmd-1215192",
"created_at": "2022-09-04T15:16:21.970634Z",
"updated_at": "2022-09-04T15:16:21.970662Z",
"structure_string": "Se1\n1.0\n1.714419 1.714419 1.714419\n1.714419 -1.714419 -1.714419\n-1.714419 1.714419 -1.714419\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 6.504970516009744,
"density_atomic": 0.04961226963095006,
"volume": 20.156304225520884,
"volume_molar": 12.138410124746956,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"formation_energy": 0.58050771,
"spacegroup": 229
},
{
"id": "oqmd-755826",
"created_at": "2022-09-04T15:21:50.453404Z",
"updated_at": "2022-09-04T15:21:50.453433Z",
"structure_string": "Ti4\n1.0\n0.000000 -2.912900 0.000000\n-5.044116 0.000000 0.000000\n0.000000 0.000000 -4.625337\nTi\n4\ndirect\n0.000000 0.000121 0.000000 Ti\n0.499997 0.500119 0.000000 Ti\n0.499997 0.166556 0.500000 Ti\n0.000000 0.666559 0.500000 Ti\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.6783345642062395,
"density_atomic": 0.05885806354640864,
"volume": 67.96010196370229,
"volume_molar": 10.23163250223419,
"formula_full": "Ti4",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0138377866666701,
"spacegroup": 194
},
{
"id": "oqmd-755836",
"created_at": "2022-09-04T15:21:53.396460Z",
"updated_at": "2022-09-04T15:21:53.396476Z",
"structure_string": "Ti6\n1.0\n2.525280 4.373901 0.000000\n-2.525280 4.373901 0.000000\n0.000000 0.000000 4.620271\nTi\n6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333334 0.333330 0.000000 Ti\n0.666670 0.666666 0.000000 Ti\n0.666675 0.000000 0.499999 Ti\n0.000000 0.333325 0.499999 Ti\n0.333323 0.666677 0.499999 Ti\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.672621726258675,
"density_atomic": 0.05878619040986113,
"volume": 102.06478695366395,
"volume_molar": 10.244141894572932,
"formula_full": "Ti6",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0136762583333399,
"spacegroup": 194
},
{
"id": "oqmd-755825",
"created_at": "2022-09-04T15:21:50.626622Z",
"updated_at": "2022-09-04T15:21:50.626654Z",
"structure_string": "Ti2\n1.0\n2.521893 1.456018 0.000000\n-2.521893 1.456018 0.000000\n0.000000 0.000000 4.625245\nTi\n2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333334 0.666667 0.500002 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.680121894440353,
"density_atomic": 0.05888054992378377,
"volume": 33.96707406076951,
"volume_molar": 10.22772505996494,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0138807516666706,
"spacegroup": 194
},
{
"id": "oqmd-752493",
"created_at": "2022-09-04T15:21:50.579274Z",
"updated_at": "2022-09-04T15:21:50.579302Z",
"structure_string": "Mg4\n1.0\n0.000000 -3.193444 0.000000\n-5.523667 0.000000 0.000000\n0.000000 0.000000 -5.188227\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500023 0.000000 Mg\n0.499999 0.166659 0.499999 Mg\n0.000000 0.666653 0.499999 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7640015041851316,
"density_atomic": 0.043707325088359165,
"volume": 91.51784036002111,
"volume_molar": 13.778332917481405,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 5.53708333299596e-05,
"spacegroup": 194
},
{
"id": "oqmd-1215133",
"created_at": "2022-09-04T15:16:21.928241Z",
"updated_at": "2022-09-04T15:16:21.928268Z",
"structure_string": "Bi1\n1.0\n1.983688 1.983688 1.983688\n1.983688 -1.983688 -1.983688\n-1.983688 1.983688 -1.983688\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 11.114106750012127,
"density_atomic": 0.03202726920484839,
"volume": 31.22339259098046,
"volume_molar": 18.80316651876254,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"formation_energy": 0.127137455000001,
"spacegroup": 229
},
{
"id": "oqmd-752508",
"created_at": "2022-09-04T15:21:51.568933Z",
"updated_at": "2022-09-04T15:21:51.568961Z",
"structure_string": "Mg6\n1.0\n2.763444 4.786428 0.000000\n-2.763444 4.786428 0.000000\n0.000000 0.000000 5.189097\nMg\n6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333341 0.333341 0.000000 Mg\n0.666658 0.666658 0.000000 Mg\n0.666656 0.000000 0.499998 Mg\n0.000000 0.333342 0.499998 Mg\n0.333340 0.666660 0.499998 Mg\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7640544654614776,
"density_atomic": 0.04370863732971319,
"volume": 137.2726391522893,
"volume_molar": 13.777919257862887,
"formula_full": "Mg6",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 1.74674999999791e-05,
"spacegroup": 194
},
{
"id": "oqmd-676479",
"created_at": "2022-09-04T15:17:07.729733Z",
"updated_at": "2022-09-04T15:17:07.729759Z",
"structure_string": "Te2\n1.0\n-2.233124 3.867885 0.000000\n-2.233124 -3.867885 -0.000000\n-2.233124 1.289295 3.793375\nTe\n2\ndirect\n0.499628 0.249815 0.250555 Te\n0.500368 0.750183 0.749446 Te\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.466772784958551,
"density_atomic": 0.030520231965059375,
"volume": 65.5303014174227,
"volume_molar": 19.73163495904735,
"formula_full": "Te2",
"formula_reduced": "Te",
"formula_anonymous": "A",
"formation_energy": 0.0424956816666699,
"spacegroup": 221
},
{
"id": "oqmd-691761",
"created_at": "2022-09-04T15:17:20.464446Z",
"updated_at": "2022-09-04T15:17:20.464473Z",
"structure_string": "Cr8\n1.0\n4.499957 0.000000 0.000000\n0.000000 4.499957 0.000000\n0.000000 0.000000 4.499957\nCr\n8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.500000 0.750001 0.000000 Cr\n0.000000 0.500000 0.250000 Cr\n0.250000 0.000000 0.500000 Cr\n0.750001 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.750001 Cr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.5802715419680995,
"density_atomic": 0.08779401193652912,
"volume": 91.12238777496144,
"volume_molar": 6.859398069601513,
"formula_full": "Cr8",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"formation_energy": 0.0605616500000004,
"spacegroup": 223
},
{
"id": "oqmd-760773",
"created_at": "2022-09-04T15:28:35.721501Z",
"updated_at": "2022-09-04T15:28:35.721522Z",
"structure_string": "Zn24\n1.0\n4.641227 10.698697 0.000000\n-4.630368 5.344654 0.000000\n0.000000 0.000000 4.665542\nZn\n24\ndirect\n0.000000 0.000000 0.000000 Zn\n0.583383 0.083147 0.000000 Zn\n0.166699 0.166585 0.000000 Zn\n0.750023 0.249872 0.000000 Zn\n0.333382 0.333151 0.000000 Zn\n0.916692 0.416595 0.000000 Zn\n0.500026 0.499868 0.000000 Zn\n0.083380 0.583166 0.000000 Zn\n0.666694 0.666580 0.000000 Zn\n0.250022 0.749876 0.000000 Zn\n0.833385 0.833154 0.000000 Zn\n0.416696 0.916577 0.000000 Zn\n0.860986 0.028022 0.500002 Zn\n0.444450 0.111180 0.500002 Zn\n0.027796 0.194496 0.500002 Zn\n0.610986 0.278022 0.500002 Zn\n0.194450 0.361185 0.500002 Zn\n0.777794 0.444490 0.500002 Zn\n0.360984 0.528023 0.500002 Zn\n0.944451 0.611183 0.500002 Zn\n0.527794 0.694488 0.500002 Zn\n0.110983 0.778030 0.500002 Zn\n0.694451 0.861179 0.500002 Zn\n0.277796 0.944489 0.500002 Zn\n",
"nsites": 24,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 7.515294174882442,
"density_atomic": 0.06919255666588751,
"volume": 346.85811822057144,
"volume_molar": 8.703451715304176,
"formula_full": "Zn24",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"formation_energy": 0.0098459224999998,
"spacegroup": 194
},
{
"id": "oqmd-1214872",
"created_at": "2022-09-04T15:39:02.978327Z",
"updated_at": "2022-09-04T15:39:02.978357Z",
"structure_string": "Cl20\n1.0\n7.550200 0.000000 0.000000\n0.000000 7.550200 0.000000\n0.000000 0.000000 7.550200\nCl\n20\ndirect\n0.874999 0.714033 0.035967 Cl\n0.057617 0.057617 0.057617 Cl\n0.214033 0.464033 0.124999 Cl\n0.807617 0.307617 0.192383 Cl\n0.464033 0.124999 0.214033 Cl\n0.535969 0.624999 0.285967 Cl\n0.192383 0.807617 0.307617 Cl\n0.785969 0.964033 0.374999 Cl\n0.942382 0.557617 0.442383 Cl\n0.124999 0.214033 0.464033 Cl\n0.624999 0.285967 0.535969 Cl\n0.442383 0.942382 0.557617 Cl\n0.285967 0.535969 0.624999 Cl\n0.692382 0.692382 0.692382 Cl\n0.035967 0.874999 0.714033 Cl\n0.964033 0.374999 0.785969 Cl\n0.307617 0.192383 0.807617 Cl\n0.714033 0.035967 0.874999 Cl\n0.557617 0.442383 0.942382 Cl\n0.374999 0.785969 0.964033 Cl\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 2.7356259570902415,
"density_atomic": 0.046468069235326565,
"volume": 430.40307740600804,
"volume_molar": 12.95973957838078,
"formula_full": "Cl20",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"formation_energy": 0.9198323835,
"spacegroup": 213
}
]
}