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_full&page=67",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=65",
"results": [
{
"id": "oqmd-757506",
"created_at": "2022-09-04T15:23:26.569017Z",
"updated_at": "2022-09-04T15:23:26.569049Z",
"structure_string": "Zr6 Pb2\n1.0\n5.416167 -3.126525 0.000000\n0.047861 6.335942 0.000000\n0.000000 0.000000 5.431895\nPb Zr\n2 6\ndirect\n0.004226 0.508394 0.000000 Pb\n0.829144 0.158292 0.500000 Pb\n0.494581 0.000115 0.000000 Zr\n0.005693 0.000158 0.000000 Zr\n0.500754 0.501487 0.000000 Zr\n0.332572 0.165133 0.500000 Zr\n0.827645 0.666493 0.500000 Zr\n0.338786 0.666518 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"Zr"
],
"chemical_system": "Pb-Zr",
"density": 8.530300583381798,
"density_atomic": 0.042731263917207,
"volume": 187.21655449977374,
"volume_molar": 14.09305554749811,
"formula_full": "Zr6 Pb2",
"formula_reduced": "Zr3Pb",
"formula_anonymous": "AB3",
"formation_energy": -0.0229872049999997,
"spacegroup": 63
},
{
"id": "oqmd-1369900",
"created_at": "2022-09-04T15:48:51.226938Z",
"updated_at": "2022-09-04T15:48:51.226966Z",
"structure_string": "Zr6 Pb2\n1.0\n5.684796 0.000000 0.000000\n0.000000 5.684796 0.000000\n0.000000 0.000000 5.684796\nPb Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.500000 0.250000 0.000000 Zr\n0.500000 0.750001 0.000000 Zr\n0.000000 0.500000 0.250000 Zr\n0.250000 0.000000 0.500000 Zr\n0.750001 0.000000 0.500000 Zr\n0.000000 0.500000 0.750001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"Zr"
],
"chemical_system": "Pb-Zr",
"density": 8.692884901055756,
"density_atomic": 0.04354570572021444,
"volume": 183.71501546905242,
"volume_molar": 13.829471036002639,
"formula_full": "Zr6 Pb2",
"formula_reduced": "Zr3Pb",
"formula_anonymous": "AB3",
"formation_energy": -0.167777249999999,
"spacegroup": 223
},
{
"id": "oqmd-1340968",
"created_at": "2022-09-04T15:46:32.098083Z",
"updated_at": "2022-09-04T15:46:32.098116Z",
"structure_string": "Zr6 Pb2\n1.0\n6.356702 0.000000 0.000000\n-3.178351 5.505066 0.000000\n0.000000 0.000000 5.247709\nPb Zr\n2 6\ndirect\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n0.331766 0.165883 0.250000 Zr\n0.834117 0.165883 0.250000 Zr\n0.834117 0.668234 0.250000 Zr\n0.165883 0.331766 0.750000 Zr\n0.165883 0.834117 0.750000 Zr\n0.668234 0.834117 0.750000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"Zr"
],
"chemical_system": "Pb-Zr",
"density": 8.69649910144967,
"density_atomic": 0.043563810516097354,
"volume": 183.63866487399912,
"volume_molar": 13.82372361062113,
"formula_full": "Zr6 Pb2",
"formula_reduced": "Zr3Pb",
"formula_anonymous": "AB3",
"formation_energy": -0.159378329999999,
"spacegroup": 194
},
{
"id": "oqmd-757503",
"created_at": "2022-09-04T15:22:05.358643Z",
"updated_at": "2022-09-04T15:22:05.358675Z",
"structure_string": "Zr6 Pb2\n1.0\n5.503953 -3.177213 0.000000\n0.000430 6.355169 0.000000\n0.000000 0.000000 5.246035\nPb Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333365 0.666634 0.500001 Pb\n0.500696 0.001435 0.000000 Zr\n0.998567 0.499304 0.000000 Zr\n0.500687 0.499311 0.000000 Zr\n0.334797 0.167352 0.500001 Zr\n0.832625 0.167375 0.500001 Zr\n0.832648 0.665203 0.500001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"Zr"
],
"chemical_system": "Pb-Zr",
"density": 8.702792246185313,
"density_atomic": 0.04359533508266325,
"volume": 183.50587247077715,
"volume_molar": 13.813727428820362,
"formula_full": "Zr6 Pb2",
"formula_reduced": "Zr3Pb",
"formula_anonymous": "AB3",
"formation_energy": -0.159244987499999,
"spacegroup": 194
},
{
"id": "oqmd-1608617",
"created_at": "2022-09-04T15:58:17.935323Z",
"updated_at": "2022-09-04T15:58:17.935355Z",
"structure_string": "Zr6 Pb1 Au1\n1.0\n5.592004 0.000000 0.000000\n0.000000 5.592004 0.000000\n0.000000 0.000000 5.592004\nAu Pb Zr\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Pb\n0.500000 0.244317 0.000000 Zr\n0.500000 0.755683 0.000000 Zr\n0.000000 0.500000 0.244317 Zr\n0.244317 0.000000 0.500000 Zr\n0.755683 0.000000 0.500000 Zr\n0.000000 0.500000 0.755683 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"Pb",
"Zr"
],
"chemical_system": "Au-Pb-Zr",
"density": 9.035668598531213,
"density_atomic": 0.045749627972757695,
"volume": 174.86480993383643,
"volume_molar": 13.163256242402618,
"formula_full": "Zr6 Pb1 Au1",
"formula_reduced": "Zr6PbAu",
"formula_anonymous": "ABC6",
"formation_energy": -0.2744824900000004,
"spacegroup": 200
},
{
"id": "oqmd-757456",
"created_at": "2022-09-04T15:24:19.018350Z",
"updated_at": "2022-09-04T15:24:19.018369Z",
"structure_string": "Zr6 Pa6\n1.0\n5.713213 -0.000068 0.000000\n-0.000198 9.378267 0.000000\n0.000000 0.000000 5.392584\nPa Zr\n6 6\ndirect\n0.537743 0.155352 0.000000 Pa\n0.037768 0.678078 0.000000 Pa\n0.797713 0.178607 0.500000 Pa\n0.311344 0.335193 0.500000 Pa\n0.811333 0.497961 0.500000 Pa\n0.297710 0.654670 0.500000 Pa\n0.011962 0.002765 0.000000 Zr\n0.051379 0.338590 0.000000 Zr\n0.551341 0.494784 0.000000 Zr\n0.512007 0.830706 0.000000 Zr\n0.789837 0.839285 0.500000 Zr\n0.289807 0.994008 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 11.112369184914341,
"density_atomic": 0.04153185400042155,
"volume": 288.9348498595367,
"volume_molar": 14.500052802696636,
"formula_full": "Zr6 Pa6",
"formula_reduced": "ZrPa",
"formula_anonymous": "AB",
"formation_energy": 0.0722187633333344,
"spacegroup": 26
},
{
"id": "oqmd-757481",
"created_at": "2022-09-04T15:24:18.901748Z",
"updated_at": "2022-09-04T15:24:18.901781Z",
"structure_string": "Zr6 Pa6\n1.0\n8.564566 -1.565877 0.000000\n-0.012415 6.196570 0.000000\n0.000000 0.000000 5.438527\nPa Zr\n6 6\ndirect\n0.685262 0.181106 0.000000 Pa\n0.357320 0.351385 0.000000 Pa\n0.358192 0.831938 0.000000 Pa\n0.531562 0.370649 0.499999 Pa\n0.203661 0.541148 0.499999 Pa\n0.530691 0.890487 0.499999 Pa\n0.024486 0.016254 0.000000 Zr\n0.020544 0.509890 0.000000 Zr\n0.694986 0.684134 0.000000 Zr\n0.193812 0.038023 0.499999 Zr\n0.868383 0.212352 0.499999 Zr\n0.864307 0.705942 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 11.12827103297089,
"density_atomic": 0.04159128626197006,
"volume": 288.52197367534825,
"volume_molar": 14.479332815216349,
"formula_full": "Zr6 Pa6",
"formula_reduced": "ZrPa",
"formula_anonymous": "AB",
"formation_energy": 0.0767780116666674,
"spacegroup": 11
},
{
"id": "oqmd-757460",
"created_at": "2022-09-04T15:24:19.746333Z",
"updated_at": "2022-09-04T15:24:19.746362Z",
"structure_string": "Zr6 Pa6\n1.0\n8.168402 -1.619581 0.000000\n-0.013425 6.440354 0.000000\n0.000000 0.000000 5.459967\nPa Zr\n6 6\ndirect\n0.602426 0.146608 0.000000 Pa\n0.275298 0.314679 0.000000 Pa\n0.596494 0.649319 0.000000 Pa\n0.625746 0.406379 0.499999 Pa\n0.946937 0.740728 0.499999 Pa\n0.619654 0.909070 0.499999 Pa\n0.934504 0.486736 0.000000 Zr\n0.275824 0.817542 0.000000 Zr\n0.943485 0.983617 0.000000 Zr\n0.278763 0.071890 0.499999 Zr\n0.946424 0.237970 0.499999 Zr\n0.287651 0.568770 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 11.182766624551588,
"density_atomic": 0.04179496046641143,
"volume": 287.11595527512975,
"volume_molar": 14.408772475905797,
"formula_full": "Zr6 Pa6",
"formula_reduced": "ZrPa",
"formula_anonymous": "AB",
"formation_energy": 0.0610724483333343,
"spacegroup": 11
},
{
"id": "oqmd-757454",
"created_at": "2022-09-04T15:22:47.306647Z",
"updated_at": "2022-09-04T15:22:47.306675Z",
"structure_string": "Zr6 Pa6\n1.0\n8.256190 -1.849235 0.000000\n-0.172924 6.506860 0.000000\n0.000000 0.000000 5.408398\nPa Zr\n6 6\ndirect\n0.335437 0.358015 0.000000 Pa\n0.008849 0.555593 0.000000 Pa\n0.322771 0.848418 0.000000 Pa\n0.899541 0.207159 0.500000 Pa\n0.213375 0.499823 0.500000 Pa\n0.886692 0.697653 0.500000 Pa\n0.005306 0.053009 0.000000 Zr\n0.661135 0.202339 0.000000 Zr\n0.660749 0.702017 0.000000 Zr\n0.216979 0.002707 0.500000 Zr\n0.561476 0.353522 0.500000 Zr\n0.560900 0.853056 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 11.116796290035612,
"density_atomic": 0.041548400056485885,
"volume": 288.8197856881555,
"volume_molar": 14.494278364059216,
"formula_full": "Zr6 Pa6",
"formula_reduced": "ZrPa",
"formula_anonymous": "AB",
"formation_energy": 0.0740266375000012,
"spacegroup": 11
},
{
"id": "oqmd-757478",
"created_at": "2022-09-04T15:22:46.599388Z",
"updated_at": "2022-09-04T15:22:46.599411Z",
"structure_string": "Zr6 Pa6\n1.0\n5.530797 0.000137 0.000000\n0.000238 9.620490 0.000000\n0.000000 0.000000 5.480595\nPa Zr\n6 6\ndirect\n0.006670 0.006375 0.000000 Pa\n0.506745 0.160288 0.000000 Pa\n0.830321 0.169356 0.500000 Pa\n0.831627 0.502556 0.500000 Pa\n0.331665 0.664081 0.500000 Pa\n0.330302 0.997346 0.500000 Pa\n0.006769 0.341278 0.000000 Zr\n0.496652 0.491724 0.000000 Zr\n0.996663 0.674952 0.000000 Zr\n0.506720 0.825362 0.000000 Zr\n0.327902 0.337271 0.500000 Zr\n0.827905 0.829412 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 11.010168561027076,
"density_atomic": 0.04114988492439408,
"volume": 291.6168543860563,
"volume_molar": 14.634647875843786,
"formula_full": "Zr6 Pa6",
"formula_reduced": "ZrPa",
"formula_anonymous": "AB",
"formation_energy": 0.0902243216666676,
"spacegroup": 26
},
{
"id": "oqmd-321132",
"created_at": "2022-09-04T14:50:53.196922Z",
"updated_at": "2022-09-04T14:50:53.196953Z",
"structure_string": "Zr6 Pa2\n1.0\n6.360887 0.000000 0.000000\n-3.180444 5.508690 0.000000\n0.000000 0.000000 5.472616\nPa Zr\n2 6\ndirect\n0.666666 0.333333 0.249999 Pa\n0.333333 0.666667 0.750001 Pa\n0.162994 0.325989 0.249999 Zr\n0.162995 0.837007 0.249999 Zr\n0.674012 0.837007 0.249999 Zr\n0.325988 0.162993 0.750001 Zr\n0.837006 0.162993 0.750001 Zr\n0.837005 0.674011 0.750001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 8.740941002972463,
"density_atomic": 0.04171853002409768,
"volume": 191.76131075037873,
"volume_molar": 14.435170070761025,
"formula_full": "Zr6 Pa2",
"formula_reduced": "Zr3Pa",
"formula_anonymous": "AB3",
"formation_energy": 0.139986465,
"spacegroup": 194
},
{
"id": "oqmd-757474",
"created_at": "2022-09-04T15:22:04.285038Z",
"updated_at": "2022-09-04T15:22:04.285065Z",
"structure_string": "Zr6 Pa2\n1.0\n5.361079 -3.095352 0.000000\n0.217675 6.567748 0.000000\n0.000000 0.000000 5.285379\nPa Zr\n2 6\ndirect\n0.977821 0.455611 0.000000 Pa\n0.855530 0.211040 0.500000 Pa\n0.488514 0.476977 0.000000 Zr\n0.481260 0.962987 0.000000 Zr\n0.981727 0.963005 0.000000 Zr\n0.344836 0.189672 0.500000 Zr\n0.851624 0.703644 0.500000 Zr\n0.352088 0.703662 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 8.837760670584784,
"density_atomic": 0.04218062835067764,
"volume": 189.66052220678876,
"volume_molar": 14.277029516804845,
"formula_full": "Zr6 Pa2",
"formula_reduced": "Zr3Pa",
"formula_anonymous": "AB3",
"formation_energy": 0.0602812475000007,
"spacegroup": 63
}
]
}