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=-structure_string&page=75",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=73",
"results": [
{
"id": "oqmd-757225",
"created_at": "2022-09-04T15:24:18.578725Z",
"updated_at": "2022-09-04T15:24:18.578740Z",
"structure_string": "Zr6 Mn6\n1.0\n8.365197 -1.254856 0.000000\n0.140031 5.712801 0.000000\n0.000000 0.000000 4.347406\nMn Zr\n6 6\ndirect\n0.556562 0.121106 0.000000 Mn\n0.358984 0.346466 0.000000 Mn\n0.351963 0.836912 0.000000 Mn\n0.529411 0.376051 0.500002 Mn\n0.332061 0.601185 0.500002 Mn\n0.536738 0.884790 0.500002 Mn\n0.990254 0.019048 0.000000 Zr\n0.097834 0.526967 0.000000 Zr\n0.649406 0.638181 0.000000 Zr\n0.239505 0.084075 0.500002 Zr\n0.791656 0.195303 0.500002 Zr\n0.898830 0.703228 0.500002 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.983699114250972,
"density_atomic": 0.057548208368377186,
"volume": 208.52082697667467,
"volume_molar": 10.464514762042835,
"formula_full": "Zr6 Mn6",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.189717316436784,
"spacegroup": 11
},
{
"id": "oqmd-757198",
"created_at": "2022-09-04T15:24:20.782852Z",
"updated_at": "2022-09-04T15:24:20.782879Z",
"structure_string": "Zr6 Mn6\n1.0\n8.223938 -0.515473 0.000000\n0.694128 5.524992 0.000000\n0.000000 0.000000 4.452504\nMn Zr\n6 6\ndirect\n0.354383 0.027264 0.000000 Mn\n0.202344 0.580175 0.000000 Mn\n0.481548 0.642995 0.000000 Mn\n0.867761 0.028278 0.500002 Mn\n0.740705 0.412678 0.500002 Mn\n0.019932 0.475297 0.500002 Mn\n0.031968 0.191066 0.000000 Zr\n0.649641 0.205899 0.000000 Zr\n0.849443 0.699747 0.000000 Zr\n0.372725 0.355834 0.500002 Zr\n0.572342 0.849579 0.500002 Zr\n0.190413 0.864500 0.500002 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.141881102476737,
"density_atomic": 0.058851685203449404,
"volume": 203.90240242936423,
"volume_molar": 10.232741406098311,
"formula_full": "Zr6 Mn6",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.0350469756034499,
"spacegroup": 11
},
{
"id": "oqmd-757204",
"created_at": "2022-09-04T15:24:16.580192Z",
"updated_at": "2022-09-04T15:24:16.580205Z",
"structure_string": "Zr6 Mn6\n1.0\n7.591047 -0.398008 0.000000\n0.963370 6.361783 0.000000\n0.000000 0.000000 4.196448\nMn Zr\n6 6\ndirect\n0.590357 0.207055 0.000000 Mn\n0.362452 0.456183 0.000000 Mn\n0.688284 0.537911 0.000000 Mn\n0.533879 0.517620 0.499999 Mn\n0.859633 0.599492 0.499999 Mn\n0.631781 0.848453 0.499999 Mn\n0.033872 0.363296 0.000000 Zr\n0.433164 0.861124 0.000000 Zr\n0.898671 0.862475 0.000000 Zr\n0.323664 0.192990 0.499999 Zr\n0.789040 0.194462 0.499999 Zr\n0.188407 0.692247 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.129154513135186,
"density_atomic": 0.05874681350103715,
"volume": 204.26639820708138,
"volume_molar": 10.251008354510464,
"formula_full": "Zr6 Mn6",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.0841491022701166,
"spacegroup": 11
},
{
"id": "oqmd-757200",
"created_at": "2022-09-04T15:24:16.630792Z",
"updated_at": "2022-09-04T15:24:16.630812Z",
"structure_string": "Zr6 Mn6\n1.0\n5.275940 -0.000720 0.000000\n-0.001207 9.351098 0.000000\n0.000000 0.000000 4.204534\nMn Zr\n6 6\ndirect\n0.549053 0.207012 0.000000 Mn\n0.049403 0.626207 0.000000 Mn\n0.783111 0.236521 0.499998 Mn\n0.395102 0.358516 0.499998 Mn\n0.895299 0.474952 0.499998 Mn\n0.283320 0.596881 0.499998 Mn\n0.865979 0.010117 0.000000 Zr\n0.086744 0.319054 0.000000 Zr\n0.586703 0.514301 0.000000 Zr\n0.365920 0.823160 0.000000 Zr\n0.319589 0.066230 0.499998 Zr\n0.819717 0.767047 0.499998 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.020283346461944,
"density_atomic": 0.057849675683023925,
"volume": 207.4341793332027,
"volume_molar": 10.409981886496915,
"formula_full": "Zr6 Mn6",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.101413248936783,
"spacegroup": 26
},
{
"id": "oqmd-757222",
"created_at": "2022-09-04T15:22:46.239937Z",
"updated_at": "2022-09-04T15:22:46.239960Z",
"structure_string": "Zr6 Mn6\n1.0\n5.001415 -0.001966 0.000000\n-0.004139 10.337567 0.000000\n0.000000 0.000000 3.869487\nMn Zr\n6 6\ndirect\n0.958367 0.033698 0.000000 Mn\n0.458320 0.132750 0.000000 Mn\n0.708193 0.083432 0.499999 Mn\n0.208450 0.083445 0.499999 Mn\n0.958292 0.482006 0.499999 Mn\n0.458367 0.684597 0.499999 Mn\n0.958074 0.299024 0.000000 Zr\n0.458181 0.520782 0.000000 Zr\n0.958432 0.646037 0.000000 Zr\n0.458590 0.867563 0.000000 Zr\n0.458134 0.318041 0.499999 Zr\n0.958543 0.848626 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.278977976948062,
"density_atomic": 0.05998141306967854,
"volume": 200.06197563335118,
"volume_molar": 10.04001148323109,
"formula_full": "Zr6 Mn6",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.122540658936784,
"spacegroup": 51
},
{
"id": "oqmd-656065",
"created_at": "2022-09-04T15:16:58.842495Z",
"updated_at": "2022-09-04T15:16:58.842510Z",
"structure_string": "Zr6 Mn4 Ga12\n1.0\n8.776433 0.000000 0.000000\n0.000000 5.419804 0.000000\n0.000000 0.000000 7.733963\nGa Mn Zr\n12 4 6\ndirect\n0.250000 0.009500 0.043899 Ga\n0.250000 0.490499 0.043899 Ga\n0.063089 0.749999 0.236749 Ga\n0.436911 0.749999 0.236749 Ga\n0.250000 0.250000 0.368600 Ga\n0.750000 0.250000 0.436314 Ga\n0.250000 0.749999 0.563686 Ga\n0.750000 0.749999 0.631399 Ga\n0.563089 0.250000 0.763250 Ga\n0.936911 0.250000 0.763250 Ga\n0.750000 0.509500 0.956101 Ga\n0.750000 0.990499 0.956101 Ga\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.529721 0.250000 0.152644 Zr\n0.970279 0.250000 0.152644 Zr\n0.750000 0.749999 0.278571 Zr\n0.250000 0.250000 0.721428 Zr\n0.029722 0.749999 0.847356 Zr\n0.470279 0.749999 0.847356 Zr\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ga",
"Mn",
"Zr"
],
"chemical_system": "Ga-Mn-Zr",
"density": 7.239158078139877,
"density_atomic": 0.05980244879926337,
"volume": 367.8779120541798,
"volume_molar": 10.070057131296235,
"formula_full": "Zr6 Mn4 Ga12",
"formula_reduced": "Zr3(MnGa3)2",
"formula_anonymous": "A2B3C6",
"formation_energy": -0.467263671144199,
"spacegroup": 59
},
{
"id": "oqmd-1450808",
"created_at": "2022-09-04T15:50:59.521624Z",
"updated_at": "2022-09-04T15:50:59.521652Z",
"structure_string": "Zr6 Mn4\n1.0\n3.754589 -3.765593 0.000000\n3.754589 3.765593 0.000000\n-1.666508 0.000000 6.337813\nMn Zr\n4 6\ndirect\n0.893657 0.302573 0.159035 Mn\n0.697427 0.106343 0.340965 Mn\n0.302573 0.893657 0.659035 Mn\n0.106343 0.697427 0.840965 Mn\n0.354176 0.256669 0.031025 Zr\n0.183931 0.816069 0.250000 Zr\n0.743331 0.645824 0.468975 Zr\n0.256669 0.354176 0.531025 Zr\n0.816069 0.183931 0.750000 Zr\n0.645824 0.743331 0.968975 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.107775783684836,
"density_atomic": 0.055800077474850086,
"volume": 179.2112207103502,
"volume_molar": 10.792351968891563,
"formula_full": "Zr6 Mn4",
"formula_reduced": "Zr3Mn2",
"formula_anonymous": "A2B3",
"formation_energy": -0.0096655925172399,
"spacegroup": 15
},
{
"id": "oqmd-1280605",
"created_at": "2022-09-04T15:42:18.403723Z",
"updated_at": "2022-09-04T15:42:18.403747Z",
"structure_string": "Zr6 Mn23\n1.0\n0.000000 5.995713 5.995713\n5.995713 0.000000 5.995713\n5.995713 5.995713 0.000000\nMn Zr\n23 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.324000 0.324000 0.028000 Mn\n0.122000 0.122000 0.122000 Mn\n0.634000 0.122000 0.122000 Mn\n0.122000 0.634000 0.122000 Mn\n0.324000 0.028000 0.324000 Mn\n0.028000 0.324000 0.324000 Mn\n0.324000 0.324000 0.324000 Mn\n0.878000 0.878000 0.366000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.122000 0.122000 0.634000 Mn\n0.676000 0.676000 0.676000 Mn\n0.972000 0.676000 0.676000 Mn\n0.676000 0.972000 0.676000 Mn\n0.878000 0.366000 0.878000 Mn\n0.366000 0.878000 0.878000 Mn\n0.878000 0.878000 0.878000 Mn\n0.676000 0.676000 0.972000 Mn\n0.878000 0.122000 0.122000 Zr\n0.122000 0.878000 0.122000 Zr\n0.878000 0.878000 0.122000 Zr\n0.122000 0.122000 0.878000 Zr\n0.878000 0.122000 0.878000 Zr\n0.122000 0.878000 0.878000 Zr\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.975825807181277,
"density_atomic": 0.0672737278580492,
"volume": 431.0746694637079,
"volume_molar": 8.951697715796286,
"formula_full": "Zr6 Mn23",
"formula_reduced": "Zr6Mn23",
"formula_anonymous": "A6B23",
"formation_energy": -0.103500544387632,
"spacegroup": 225
},
{
"id": "oqmd-757218",
"created_at": "2022-09-04T15:22:07.705451Z",
"updated_at": "2022-09-04T15:22:07.705474Z",
"structure_string": "Zr6 Mn2\n1.0\n6.522747 -3.765757 0.000000\n-0.786331 6.167070 0.000000\n0.000000 0.000000 4.243907\nMn Zr\n2 6\ndirect\n0.036212 0.572445 0.000000 Mn\n0.797113 0.094189 0.499999 Mn\n0.002565 0.089248 0.000000 Zr\n0.586741 0.089293 0.000000 Zr\n0.525253 0.550488 0.000000 Zr\n0.308122 0.116202 0.499999 Zr\n0.246666 0.577353 0.499999 Zr\n0.830729 0.577385 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.900677165319915,
"density_atomic": 0.05058500173752811,
"volume": 158.14964367323412,
"volume_molar": 11.904992691800741,
"formula_full": "Zr6 Mn2",
"formula_reduced": "Zr3Mn",
"formula_anonymous": "AB3",
"formation_energy": 0.0839406678017252,
"spacegroup": 63
},
{
"id": "oqmd-322747",
"created_at": "2022-09-04T14:50:56.145355Z",
"updated_at": "2022-09-04T14:50:56.145392Z",
"structure_string": "Zr6 Mn2\n1.0\n6.189453 0.000000 0.000000\n-3.094727 5.360223 0.000000\n0.000000 0.000000 4.964765\nMn Zr\n2 6\ndirect\n0.666667 0.333333 0.250002 Mn\n0.333334 0.666668 0.750001 Mn\n0.172631 0.345262 0.250002 Zr\n0.172629 0.827369 0.250002 Zr\n0.654740 0.827369 0.250002 Zr\n0.345262 0.172631 0.750001 Zr\n0.827370 0.172631 0.750001 Zr\n0.827368 0.654738 0.750001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.625613591286974,
"density_atomic": 0.048568664639436675,
"volume": 164.71525538925727,
"volume_molar": 12.399230665918198,
"formula_full": "Zr6 Mn2",
"formula_reduced": "Zr3Mn",
"formula_anonymous": "AB3",
"formation_energy": 0.132619369051726,
"spacegroup": 194
},
{
"id": "oqmd-757215",
"created_at": "2022-09-04T15:22:02.237156Z",
"updated_at": "2022-09-04T15:22:02.237190Z",
"structure_string": "Zr6 Mn2\n1.0\n5.371625 -3.101437 0.000000\n-0.000111 6.202680 0.000000\n0.000000 0.000000 4.990662\nMn Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333343 0.666656 0.500000 Mn\n0.011478 0.505739 0.000000 Zr\n0.494245 0.505757 0.000000 Zr\n0.494262 0.988521 0.000000 Zr\n0.839103 0.160898 0.500000 Zr\n0.321869 0.160909 0.500000 Zr\n0.839092 0.678133 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.563283970509447,
"density_atomic": 0.048111761077685354,
"volume": 166.2795088103825,
"volume_molar": 12.516982594497295,
"formula_full": "Zr6 Mn2",
"formula_reduced": "Zr3Mn",
"formula_anonymous": "AB3",
"formation_energy": 0.131006901551727,
"spacegroup": 194
},
{
"id": "oqmd-757227",
"created_at": "2022-09-04T15:22:02.879337Z",
"updated_at": "2022-09-04T15:22:02.879347Z",
"structure_string": "Zr6 Mn2\n1.0\n4.850545 0.000000 0.000000\n0.000000 6.746039 0.000000\n0.000000 0.000000 4.685580\nMn Zr\n2 6\ndirect\n0.916981 0.000000 0.000000 Mn\n0.416353 0.500000 0.499998 Mn\n0.436687 0.253014 0.000000 Zr\n0.962337 0.500000 0.000000 Zr\n0.436687 0.746985 0.000000 Zr\n0.370997 0.000000 0.499998 Zr\n0.896650 0.246986 0.499998 Zr\n0.896650 0.753014 0.499998 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.1179869119494965,
"density_atomic": 0.05217797785385532,
"volume": 153.3213882379096,
"volume_molar": 11.541537268591249,
"formula_full": "Zr6 Mn2",
"formula_reduced": "Zr3Mn",
"formula_anonymous": "AB3",
"formation_energy": 0.213904581551725,
"spacegroup": 59
}
]
}