HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3855",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3853",
"results": [
{
"id": "jvasp-85984",
"created_at": "2022-09-04T14:35:57.800987Z",
"updated_at": "2022-09-04T14:35:57.801009Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n4.016601 0.000000 0.000000\n-2.008302 3.478480 -0.000000\n0.000000 -0.000000 27.634953\nSr Cu Cl O\n6 3 3 6\ndirect\n0.333078 0.999623 0.576606 Sr\n0.666544 0.666922 0.243273 Sr\n0.333456 0.000377 0.090061 Sr\n0.666923 0.666544 0.756727 Sr\n0.999622 0.333078 0.423394 Sr\n0.000378 0.333456 0.909939 Sr\n0.666869 0.666869 -0.000000 Cu\n0.333131 -0.000000 0.333333 Cu\n0.000000 0.333131 0.666667 Cu\n0.000000 0.333651 0.166667 Cl\n0.666349 0.666349 0.500000 Cl\n0.333651 -0.000000 0.833333 Cl\n0.666778 0.667024 0.065819 O\n0.999753 0.332976 0.600847 O\n0.667024 0.666777 0.934181 O\n0.332976 0.999753 0.399153 O\n0.000247 0.333223 0.732486 O\n0.333222 0.000247 0.267514 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 3.9511381540610433,
"density_atomic": 0.04661928109629504,
"volume": 386.10634005316115,
"volume_molar": 12.91770404515868,
"formula_full": "Sr6 Cu3 Cl3 O6",
"formula_reduced": "Sr2CuClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.2299490229166668,
"spacegroup": 166
},
{
"id": "jvasp-62847",
"created_at": "2022-09-04T14:35:51.857342Z",
"updated_at": "2022-09-04T14:35:51.857373Z",
"structure_string": "Hf3 Co9 B6\n1.0\n3.860518 -4.180895 -0.012805\n3.860518 4.180895 -0.012805\n-0.648546 -0.000000 5.653586\nHf Co B\n3 9 6\ndirect\n0.329621 0.329621 0.329621 Hf\n0.000000 0.000000 0.000000 Hf\n0.670379 0.670379 0.670378 Hf\n0.304709 0.802586 0.304698 Co\n0.304698 0.304709 0.802586 Co\n0.802586 0.304698 0.304709 Co\n0.695291 0.197414 0.695301 Co\n0.695302 0.695291 0.197413 Co\n0.197414 0.695302 0.695290 Co\n0.500000 -0.000000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n0.622055 -0.000002 0.377945 B\n0.377945 0.622055 -0.000002 B\n-0.000002 0.377945 0.622055 B\n0.377945 0.000001 0.622055 B\n0.622055 0.377945 0.000000 B\n0.000001 0.622055 0.377945 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Co",
"B"
],
"chemical_system": "B-Co-Hf",
"density": 10.292154018418737,
"density_atomic": 0.09866632288939038,
"volume": 182.43306807104642,
"volume_molar": 6.103542306680573,
"formula_full": "Hf3 Co9 B6",
"formula_reduced": "HfCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.393040144444445,
"spacegroup": 166
},
{
"id": "jvasp-86554",
"created_at": "2022-09-04T14:36:05.409346Z",
"updated_at": "2022-09-04T14:36:05.409376Z",
"structure_string": "Hg2 C2 S2 O6 F6\n1.0\n5.064907 -0.026199 -0.647031\n-0.398761 5.217588 -0.397606\n-0.082654 0.334347 9.885966\nHg C S O F\n2 2 2 6 6\ndirect\n0.168093 0.133114 0.587221 Hg\n0.831909 0.866887 0.412779 Hg\n0.335437 0.238775 0.126898 C\n0.664565 0.761226 0.873102 C\n0.355334 0.434288 0.290232 S\n0.644668 0.565712 0.709768 S\n0.083196 0.476414 0.304748 O\n0.916805 0.523587 0.695252 O\n0.507758 0.719841 0.607670 O\n0.515613 0.669031 0.262307 O\n0.484389 0.330969 0.737693 O\n0.492243 0.280160 0.392331 O\n0.169277 0.028676 0.132815 F\n0.579289 0.167214 0.112272 F\n0.243435 0.370958 0.019435 F\n0.830725 -0.028676 0.867186 F\n0.756567 0.629043 0.980565 F\n0.420713 0.832787 0.887728 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Hg",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-Hg-O-S",
"density": 4.438521151104537,
"density_atomic": 0.06879974973397138,
"volume": 261.6288586746429,
"volume_molar": 8.753143410093593,
"formula_full": "Hg2 C2 S2 O6 F6",
"formula_reduced": "HgCS(OF)3",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 1.5789406608333336,
"spacegroup": 2
},
{
"id": "jvasp-85302",
"created_at": "2022-09-04T14:35:58.033138Z",
"updated_at": "2022-09-04T14:35:58.033150Z",
"structure_string": "K4 Sn2 Br12\n1.0\n7.548836 0.000000 0.000000\n0.000000 7.373200 -0.047778\n0.000000 -0.035262 10.489974\nK Sn Br\n4 2 12\ndirect\n0.437386 0.981725 0.251921 K\n0.062614 0.481725 0.751921 K\n0.937386 0.518275 0.248078 K\n0.562615 0.018275 0.748078 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.701640 0.790292 0.462215 Br\n-0.002718 0.928927 0.752324 Br\n0.201640 0.709708 0.037785 Br\n0.298360 0.209708 0.537785 Br\n0.497282 0.571074 0.747675 Br\n0.002718 0.071074 0.247675 Br\n0.289533 0.199682 0.968984 Br\n0.710468 0.800319 0.031015 Br\n0.210467 0.699681 0.468984 Br\n0.502718 0.428927 0.252324 Br\n0.789533 0.300319 0.531015 Br\n0.798360 0.290292 0.962215 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Sn",
"Br"
],
"chemical_system": "Br-K-Sn",
"density": 3.8471327622544567,
"density_atomic": 0.030829859719846,
"volume": 583.8495589525152,
"volume_molar": 19.53346792597758,
"formula_full": "K4 Sn2 Br12",
"formula_reduced": "K2SnBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-91422",
"created_at": "2022-09-04T14:35:54.767921Z",
"updated_at": "2022-09-04T14:35:54.767932Z",
"structure_string": "K2 Os4 O12\n1.0\n5.305662 0.004699 1.856810\n0.759728 5.880888 2.711037\n-0.013861 0.002568 7.295364\nK Os O\n2 4 12\ndirect\n0.807479 0.301950 0.107677 K\n0.192521 0.698051 0.892322 K\n0.813261 0.641338 0.549949 Os\n0.186739 0.358663 0.450051 Os\n0.363386 0.914785 0.236429 Os\n0.636614 0.085216 0.763570 Os\n0.990050 0.107842 0.626583 O\n0.699479 0.959100 0.040465 O\n0.621229 0.390219 0.742963 O\n0.491920 0.187321 0.535815 O\n0.508080 0.812680 0.464184 O\n0.299712 0.221993 0.233711 O\n0.895492 0.521467 0.324732 O\n0.700288 0.778008 0.766289 O\n0.009950 0.892159 0.373416 O\n0.300521 0.040901 0.959534 O\n0.378771 0.609782 0.257037 O\n0.104508 0.478534 0.675268 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Os",
"O"
],
"chemical_system": "K-O-Os",
"density": 7.518812213584152,
"density_atomic": 0.07904381622837048,
"volume": 227.72179860338554,
"volume_molar": 7.618737362833106,
"formula_full": "K2 Os4 O12",
"formula_reduced": "K(OsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.1973043333333337,
"spacegroup": 2
},
{
"id": "jvasp-48322",
"created_at": "2022-09-04T14:35:55.408013Z",
"updated_at": "2022-09-04T14:35:55.408032Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.697244 0.046518 0.016670\n0.154632 5.586425 0.040824\n0.104208 0.690496 7.689585\nFe O F\n6 4 8\ndirect\n0.507583 0.821760 0.660747 Fe\n0.519643 0.505583 0.000535 Fe\n0.454261 0.202195 0.358612 Fe\n0.000842 0.338555 0.679827 Fe\n0.002782 0.662021 0.298037 Fe\n0.983776 0.976071 0.012503 Fe\n0.315756 0.475580 0.213923 O\n0.296511 0.125236 0.581899 O\n0.780908 0.690473 0.088664 O\n0.694176 0.528164 0.775033 O\n0.197481 0.632792 0.553674 F\n0.802373 0.371963 0.434255 F\n0.800555 0.024689 0.772046 F\n0.707843 0.213164 0.098183 F\n0.709406 0.877212 0.422779 F\n0.299317 0.785135 0.905497 F\n0.211824 0.977038 0.233131 F\n0.214953 0.292385 0.910646 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.539257108768467,
"density_atomic": 0.08929217056058017,
"volume": 201.5854233018999,
"volume_molar": 6.744309968267918,
"formula_full": "Fe6 O4 F8",
"formula_reduced": "Fe3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.7101538477777778,
"spacegroup": 1
},
{
"id": "jvasp-48092",
"created_at": "2022-09-04T14:35:48.537188Z",
"updated_at": "2022-09-04T14:35:48.537208Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.602751 -0.000084\n2.980835 0.000000 0.000000\n0.000000 -0.000563 -13.875224\nMn O F\n6 8 4\ndirect\n0.077276 0.000000 0.825700 Mn\n0.000000 0.000000 0.500000 Mn\n0.922724 0.000000 0.174299 Mn\n0.577273 0.499999 0.674295 Mn\n0.422727 0.499999 0.325705 Mn\n0.500000 0.499999 -0.000000 Mn\n0.176642 0.499999 0.433757 O\n0.260672 0.499999 0.767832 O\n0.323362 0.000000 0.933753 O\n0.239331 0.000000 0.267838 O\n0.760670 0.000000 0.732162 O\n0.739328 0.499999 0.232167 O\n0.823358 0.499999 0.566243 O\n0.676639 0.000000 0.066246 O\n0.349395 0.000000 0.607254 F\n0.849402 0.499999 0.892739 F\n0.650605 0.000000 0.392746 F\n0.150598 0.499999 0.107260 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.654611095450064,
"density_atomic": 0.09455338557085041,
"volume": 190.3686461497701,
"volume_molar": 6.369037685580819,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6759729210153256,
"spacegroup": 58
},
{
"id": "jvasp-86547",
"created_at": "2022-09-04T14:35:50.907612Z",
"updated_at": "2022-09-04T14:35:50.907637Z",
"structure_string": "C6 F12\n1.0\n5.603261 -0.050305 -1.813350\n-0.635479 6.130816 -0.282103\n0.096338 -0.028546 6.390947\nC F\n6 12\ndirect\n0.551637 0.826847 0.771337 C\n0.448363 0.173154 0.228664 C\n0.343645 0.740824 0.629061 C\n0.656355 0.259177 0.370940 C\n0.248968 0.290003 0.099987 C\n0.751032 0.709998 0.900014 C\n0.275258 0.529416 0.578156 F\n0.181844 0.862891 0.522426 F\n0.598086 0.047425 0.807078 F\n0.049142 0.247051 0.165178 F\n0.184928 0.223308 0.882571 F\n0.815072 0.776693 0.117430 F\n0.950858 0.752950 0.834824 F\n0.818156 0.137110 0.477575 F\n0.724742 0.470585 0.421845 F\n0.692214 0.490480 0.876784 F\n0.307786 0.509521 0.123217 F\n0.401914 0.952575 0.192924 F\n",
"nsites": 18,
"nelements": 2,
"elements": [
"C",
"F"
],
"chemical_system": "C-F",
"density": 2.2612632862281923,
"density_atomic": 0.08169361036041768,
"volume": 220.33546957451384,
"volume_molar": 7.3716178455467745,
"formula_full": "C6 F12",
"formula_reduced": "CF2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.272283521666666,
"spacegroup": 2
},
{
"id": "jvasp-12116",
"created_at": "2022-09-04T14:35:55.067626Z",
"updated_at": "2022-09-04T14:35:55.067654Z",
"structure_string": "Cu2 I4 O12\n1.0\n5.022898 0.000000 -0.172639\n0.000000 6.279798 0.000000\n0.015831 0.000000 8.237380\nCu I O\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.527178 0.750000 0.154448 I\n0.036866 0.250000 0.235311 I\n0.963135 0.750000 0.764689 I\n0.472822 0.250000 0.845552 I\n0.748930 0.966616 0.093175 O\n0.748930 0.533385 0.093175 O\n0.251070 0.033385 0.906825 O\n0.266010 0.471243 0.305795 O\n0.251070 0.466616 0.906825 O\n0.358263 0.250000 0.619595 O\n0.641737 0.750000 0.380405 O\n0.733990 0.528757 0.694205 O\n0.266010 0.028757 0.305795 O\n0.733990 0.971244 0.694205 O\n0.809495 0.250000 0.400082 O\n0.190505 0.750000 0.599918 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"I",
"O"
],
"chemical_system": "Cu-I-O",
"density": 5.283000144691077,
"density_atomic": 0.06927151479823955,
"volume": 259.8470677655435,
"volume_molar": 8.693531211985341,
"formula_full": "Cu2 I4 O12",
"formula_reduced": "Cu(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.712630444444445,
"spacegroup": 11
},
{
"id": "jvasp-48459",
"created_at": "2022-09-04T14:35:53.764350Z",
"updated_at": "2022-09-04T14:35:53.764377Z",
"structure_string": "V6 O8 F4\n1.0\n0.000000 4.635741 0.021210\n4.637521 0.000000 0.000000\n0.000000 -4.399789 -8.944361\nV O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 V\n0.610365 0.987600 0.653688 V\n0.389634 0.012399 0.346312 V\n0.389634 0.487601 0.846312 V\n0.610366 0.512399 0.153688 V\n-0.000000 0.500000 0.500000 V\n0.291255 0.197728 0.499577 O\n0.637124 0.185956 0.830389 O\n0.362875 0.685956 0.669610 O\n0.708745 0.697728 0.000422 O\n0.291255 0.302271 0.999577 O\n0.362876 0.814044 0.169611 O\n0.708745 0.802271 0.500422 O\n0.637124 0.314044 0.330389 O\n0.033054 0.707113 0.329112 F\n0.033054 0.792887 0.829111 F\n0.966945 0.292887 0.670888 F\n0.966945 0.207113 0.170888 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.410978144179004,
"density_atomic": 0.09382026825321307,
"volume": 191.85619840074963,
"volume_molar": 6.418805735821117,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6481663516666667,
"spacegroup": 14
},
{
"id": "jvasp-86851",
"created_at": "2022-09-04T14:35:51.589520Z",
"updated_at": "2022-09-04T14:35:51.589548Z",
"structure_string": "Nd6 Mn2 Bi10\n1.0\n9.652815 -0.000000 0.000000\n-4.826407 8.359583 0.000000\n0.000000 0.000000 6.501817\nNd Mn Bi\n6 2 10\ndirect\n-0.000000 0.380737 0.750000 Nd\n0.619263 0.000000 0.250000 Nd\n0.619263 0.619262 0.750000 Nd\n-0.000000 0.619262 0.250000 Nd\n0.380738 0.380737 0.250000 Nd\n0.380738 0.000000 0.750000 Nd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.252876 0.250000 Bi\n0.747124 0.747124 0.250000 Bi\n-0.000000 0.747124 0.750000 Bi\n0.747124 0.000000 0.750000 Bi\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.252876 0.000000 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n0.252876 0.252876 0.750000 Bi\n0.666667 0.333333 0.500000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Nd",
"density": 9.701188733361374,
"density_atomic": 0.03430829742847129,
"volume": 524.6544232492987,
"volume_molar": 17.55301548424385,
"formula_full": "Nd6 Mn2 Bi10",
"formula_reduced": "Nd3MnBi5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.7350236934865904,
"spacegroup": 193
},
{
"id": "jvasp-14073",
"created_at": "2022-09-04T14:35:54.184368Z",
"updated_at": "2022-09-04T14:35:54.184391Z",
"structure_string": "Mn10 As8\n1.0\n3.535276 -0.000000 0.000000\n-1.767637 6.500089 -0.000000\n-0.000000 -0.000000 11.829403\nMn As\n10 8\ndirect\n0.021499 0.042998 0.290157 Mn\n0.216530 0.433061 0.178881 Mn\n0.555216 0.110432 0.125017 Mn\n0.444784 0.889568 0.625017 Mn\n0.633891 0.267782 0.517763 Mn\n0.783470 0.566940 0.678881 Mn\n0.831327 0.662651 0.374064 Mn\n0.168674 0.337349 0.874064 Mn\n0.978501 0.957002 0.790157 Mn\n0.366109 0.732218 0.017763 Mn\n0.604766 0.209529 0.734633 As\n0.004278 0.008555 0.995882 As\n0.995723 0.991445 0.495882 As\n0.273104 0.546209 0.526031 As\n0.726896 0.453791 0.026031 As\n0.346832 0.693666 0.806669 As\n0.653168 0.306334 0.306669 As\n0.395235 0.790471 0.234633 As\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 7.017305677936124,
"density_atomic": 0.0662166262542007,
"volume": 271.8350513796843,
"volume_molar": 9.094605238390503,
"formula_full": "Mn10 As8",
"formula_reduced": "Mn5As4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.992367022988505,
"spacegroup": 36
}
]
}