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=609",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=607",
"results": [
{
"id": "jvasp-116647",
"created_at": "2022-09-04T14:38:52.438108Z",
"updated_at": "2022-09-04T14:38:52.438127Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n6.208415 -0.009773 2.135893\n-3.117452 5.308051 2.283173\n-0.122867 -0.009777 6.564403\nSr Ca Mn O\n2 2 4 12\ndirect\n0.500003 0.000003 -0.000003 Sr\n0.000002 0.000003 0.499997 Sr\n0.499989 0.499983 0.499988 Ca\n-0.000008 0.499984 -0.000011 Ca\n0.500017 -0.000014 0.499976 Mn\n0.000018 0.499997 0.499966 Mn\n0.000018 -0.000014 -0.000024 Mn\n0.500019 0.499998 -0.000035 Mn\n0.750005 0.296491 0.453513 O\n0.249990 0.296484 0.953533 O\n0.038849 0.788858 0.250010 O\n0.538840 0.788860 0.750018 O\n-0.038864 0.211150 0.750014 O\n0.250005 0.500006 0.250026 O\n0.749983 -0.000008 0.250019 O\n0.250000 0.000022 0.750005 O\n0.750004 0.703523 0.046481 O\n0.749988 0.500003 0.750011 O\n0.461142 0.211149 0.250009 O\n0.249989 0.703518 0.546501 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 5.088095264620371,
"density_atomic": 0.0918583232420298,
"volume": 217.72659563253376,
"volume_molar": 6.555901030473598,
"formula_full": "Sr2 Ca2 Mn4 O12",
"formula_reduced": "SrCaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.379195221275862,
"spacegroup": 65
},
{
"id": "jvasp-122000",
"created_at": "2022-09-04T14:38:50.938987Z",
"updated_at": "2022-09-04T14:38:50.939016Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n6.485285 0.129100 1.095134\n0.353517 6.476930 1.095134\n-0.189773 -0.183314 4.875072\nMg Ti Si O\n2 2 4 12\ndirect\n0.723855 0.276146 0.749999 Mg\n0.276146 0.723855 0.249999 Mg\n0.930123 0.069878 0.249999 Ti\n0.069879 0.930122 0.749999 Ti\n0.402130 0.209954 0.287907 Si\n0.790047 0.597871 0.212091 Si\n0.209954 0.402130 0.787907 Si\n0.597872 0.790047 0.712090 Si\n0.760455 0.966568 0.648059 O\n0.033433 0.239546 0.851939 O\n0.146545 0.623686 0.631320 O\n0.376315 0.853456 0.868677 O\n0.853456 0.376314 0.368677 O\n0.700630 0.582354 0.906892 O\n0.299371 0.417646 0.093105 O\n0.582355 0.700630 0.406893 O\n0.239546 0.033432 0.351939 O\n0.417647 0.299371 0.593105 O\n0.623686 0.146545 0.131321 O\n0.966569 0.760454 0.148059 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Ti",
"density": 3.5974642143710613,
"density_atomic": 0.09656991097191182,
"volume": 207.10384630899338,
"volume_molar": 6.236042572050823,
"formula_full": "Mg2 Ti2 Si4 O12",
"formula_reduced": "MgTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5557875583333334,
"spacegroup": 15
},
{
"id": "jvasp-122042",
"created_at": "2022-09-04T14:38:52.042617Z",
"updated_at": "2022-09-04T14:38:52.042641Z",
"structure_string": "Tb4 Ge10 Rh6\n1.0\n7.853013 0.081000 2.917157\n-1.306040 7.744071 2.917157\n0.062515 0.074719 5.998515\nTb Ge Rh\n4 10 6\ndirect\n0.864279 0.593723 0.770977 Tb\n0.406277 0.135721 0.729024 Tb\n0.135720 0.406278 0.229024 Tb\n0.593722 0.864279 0.270977 Tb\n0.220237 0.779762 0.250000 Ge\n0.779762 0.220238 0.750000 Ge\n0.499993 0.500007 0.250000 Ge\n0.500006 0.499993 0.750000 Ge\n0.779772 0.220228 0.250001 Ge\n0.260239 0.067592 0.336113 Ge\n0.932407 0.739761 0.163888 Ge\n0.739760 0.932408 0.663888 Ge\n0.067592 0.260239 0.836112 Ge\n0.220227 0.779772 0.750000 Ge\n-0.000012 0.000011 0.750000 Rh\n0.250833 0.535767 0.606710 Rh\n0.464232 0.749166 0.893291 Rh\n0.749166 0.464233 0.393291 Rh\n0.535767 0.250834 0.106710 Rh\n0.000011 -0.000011 0.250000 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tb",
"density": 9.079463924075359,
"density_atomic": 0.055243101403056445,
"volume": 362.03615459745816,
"volume_molar": 10.901163415975072,
"formula_full": "Tb4 Ge10 Rh6",
"formula_reduced": "Tb2Ge5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.7843755550000002,
"spacegroup": 72
},
{
"id": "jvasp-116492",
"created_at": "2022-09-04T14:38:50.903678Z",
"updated_at": "2022-09-04T14:38:50.903722Z",
"structure_string": "Tb4 Co6 Si10\n1.0\n7.607271 -0.012697 -2.121901\n-1.465371 4.985322 -5.947475\n-0.018970 0.012697 7.897638\nTb Co Si\n4 6 10\ndirect\n0.867943 0.133885 0.734059 Tb\n0.132057 0.866115 0.265942 Tb\n0.399826 0.633885 0.765942 Tb\n0.600174 0.366115 0.234059 Tb\n0.471094 0.862227 0.608867 Co\n0.746639 0.637772 0.108866 Co\n0.528906 0.137772 0.391134 Co\n0.000000 0.750000 0.750001 Co\n0.000000 0.250000 0.250000 Co\n0.253361 0.362228 0.891134 Co\n0.741867 0.899337 0.842531 Si\n0.500000 0.250000 0.750000 Si\n0.500000 0.750000 0.250000 Si\n0.227714 0.477714 0.250000 Si\n0.772286 0.022286 0.250000 Si\n0.772286 0.522286 0.750000 Si\n0.227714 0.977714 0.750001 Si\n0.056807 0.399337 0.657470 Si\n0.943193 0.600662 0.342531 Si\n0.258133 0.100663 0.157469 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Si"
],
"chemical_system": "Co-Si-Tb",
"density": 7.0356262419946605,
"density_atomic": 0.0667154993914386,
"volume": 299.78041358357183,
"volume_molar": 9.026599238456427,
"formula_full": "Tb4 Co6 Si10",
"formula_reduced": "Tb2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.32713025,
"spacegroup": 72
},
{
"id": "jvasp-120470",
"created_at": "2022-09-04T14:38:50.949646Z",
"updated_at": "2022-09-04T14:38:50.949675Z",
"structure_string": "Rb4 Dy4 Br12\n1.0\n7.506654 0.000000 0.000000\n0.000000 8.101209 0.000000\n-0.000000 -0.000000 11.182648\nRb Dy Br\n4 4 12\ndirect\n0.022270 0.437077 0.250000 Rb\n0.977729 0.562923 0.750000 Rb\n0.522270 0.062923 0.750000 Rb\n0.477729 0.937078 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.447415 0.493428 0.750000 Br\n0.552584 0.506572 0.250000 Br\n0.804567 0.297112 0.527661 Br\n0.195433 0.702888 0.472340 Br\n0.304567 0.202888 0.472340 Br\n0.695433 0.797112 0.972340 Br\n0.695433 0.797112 0.527661 Br\n0.804567 0.297112 0.972340 Br\n0.052585 0.993428 0.750000 Br\n0.304567 0.202888 0.027661 Br\n0.195433 0.702888 0.027661 Br\n0.947415 0.006572 0.250000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Rb",
"density": 4.763245503763894,
"density_atomic": 0.02940959919604644,
"volume": 680.0500702739471,
"volume_molar": 20.476786235188005,
"formula_full": "Rb4 Dy4 Br12",
"formula_reduced": "RbDyBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-120722",
"created_at": "2022-09-04T14:38:51.943560Z",
"updated_at": "2022-09-04T14:38:51.943586Z",
"structure_string": "Te12 Rh2 Br6\n1.0\n8.736720 0.089053 -2.855844\n-3.962490 7.786969 -2.855844\n0.053981 0.089053 9.191475\nTe Rh Br\n12 2 6\ndirect\n0.922519 0.169786 0.192802 Te\n0.330213 0.577481 0.307198 Te\n0.577481 0.307198 0.330213 Te\n0.830213 0.807198 0.077482 Te\n0.807198 0.077480 0.830213 Te\n0.077481 0.830213 0.807198 Te\n0.307198 0.330213 0.577481 Te\n0.422519 0.692802 0.669787 Te\n0.692802 0.669787 0.422519 Te\n0.169787 0.192801 0.922518 Te\n0.192802 0.922519 0.169787 Te\n0.669787 0.422518 0.692802 Te\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.478384 0.750000 0.021617 Br\n0.978384 0.521616 0.250000 Br\n0.250000 0.978384 0.521616 Br\n0.521616 0.249999 0.978384 Br\n0.750000 0.021616 0.478384 Br\n0.021616 0.478384 0.750000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Te",
"Rh",
"Br"
],
"chemical_system": "Br-Rh-Te",
"density": 5.814528182232014,
"density_atomic": 0.031596601911167144,
"volume": 632.9794595073664,
"volume_molar": 19.059457016710404,
"formula_full": "Te12 Rh2 Br6",
"formula_reduced": "Te6RhBr3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.9400321915,
"spacegroup": 167
},
{
"id": "jvasp-120437",
"created_at": "2022-09-04T14:38:52.096462Z",
"updated_at": "2022-09-04T14:38:52.096482Z",
"structure_string": "Pb2 Cl4 O14\n1.0\n5.903610 0.206619 3.916827\n1.185757 5.786992 3.916827\n0.092027 0.077803 8.587875\nPb Cl O\n2 4 14\ndirect\n0.377995 0.622005 0.250000 Pb\n0.622006 0.377994 0.750000 Pb\n0.805807 0.800133 0.179942 Cl\n0.800134 0.805806 0.679942 Cl\n0.194194 0.199866 0.820058 Cl\n0.199867 0.194193 0.320058 Cl\n0.422729 0.288155 0.151721 O\n0.288156 0.422728 0.651721 O\n0.577272 0.711844 0.848279 O\n0.711845 0.577271 0.348279 O\n0.275333 0.931792 0.404323 O\n0.931793 0.275332 0.904323 O\n0.121847 0.268233 0.485634 O\n0.068208 0.724667 0.095677 O\n0.726817 0.273183 0.250000 O\n0.268234 0.121846 0.985634 O\n0.878154 0.731766 0.514366 O\n0.731767 0.878153 0.014366 O\n0.724668 0.068207 0.595677 O\n0.273184 0.726816 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb",
"density": 4.500902414065172,
"density_atomic": 0.069482037493524,
"volume": 287.8441784592756,
"volume_molar": 8.66719079814159,
"formula_full": "Pb2 Cl4 O14",
"formula_reduced": "PbCl2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.0737603455,
"spacegroup": 15
},
{
"id": "jvasp-119508",
"created_at": "2022-09-04T14:38:51.092541Z",
"updated_at": "2022-09-04T14:38:51.092570Z",
"structure_string": "Al4 Ni15 Sn1\n1.0\n3.598251 -0.000000 0.000000\n0.000000 3.598251 0.000000\n-0.000000 -0.000000 17.814774\nAl Ni Sn\n4 15 1\ndirect\n0.000000 0.000000 0.206750 Al\n0.000000 0.000000 0.402181 Al\n0.000000 0.000000 0.597819 Al\n0.000000 0.000000 0.793250 Al\n-0.000000 0.500000 0.695611 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.304388 Ni\n-0.000000 0.500000 0.108928 Ni\n0.500000 0.000000 0.891072 Ni\n0.500000 0.000000 0.695611 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.108928 Ni\n-0.000000 0.500000 0.891072 Ni\n0.500000 0.500000 0.793863 Ni\n0.500000 0.500000 0.597915 Ni\n0.500000 0.500000 0.402085 Ni\n0.500000 0.500000 0.206137 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.304388 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Sn"
],
"chemical_system": "Al-Ni-Sn",
"density": 7.969811829479582,
"density_atomic": 0.08670951737015219,
"volume": 230.6551876493843,
"volume_molar": 6.9451900352440274,
"formula_full": "Al4 Ni15 Sn1",
"formula_reduced": "Al4Ni15Sn",
"formula_anonymous": "AB4C15",
"energy_above_hull": 1.4172239450000002,
"spacegroup": 123
},
{
"id": "jvasp-119691",
"created_at": "2022-09-04T14:38:51.897152Z",
"updated_at": "2022-09-04T14:38:51.897179Z",
"structure_string": "Co4 Ag4 O12\n1.0\n4.968134 -0.320799 0.180256\n0.279870 5.706869 1.244460\n-0.311778 -0.030507 7.682234\nCo Ag O\n4 4 12\ndirect\n0.500051 0.825359 0.662646 Co\n0.499949 0.174645 0.337356 Co\n0.000052 0.325358 0.162647 Co\n-0.000053 0.674645 0.837354 Co\n-0.001438 0.726399 0.364171 Ag\n0.498557 0.226397 0.864171 Ag\n0.001441 0.273602 0.635827 Ag\n0.501439 0.773600 0.135829 Ag\n0.886430 0.366224 0.927234 O\n0.386430 0.866225 0.427233 O\n0.299361 0.554402 0.740297 O\n0.799362 0.054404 0.240297 O\n0.700637 0.445596 0.259703 O\n0.311321 0.167734 0.127239 O\n0.113570 0.633775 0.072766 O\n0.613566 0.133772 0.572766 O\n0.188679 0.332265 0.372762 O\n0.811320 0.667734 0.627237 O\n0.200639 0.945596 0.759702 O\n0.688677 0.832264 0.872763 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-O",
"density": 6.510822245136544,
"density_atomic": 0.09126899898740803,
"volume": 219.1324570433747,
"volume_molar": 6.598232506999279,
"formula_full": "Co4 Ag4 O12",
"formula_reduced": "CoAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.039047732,
"spacegroup": 148
},
{
"id": "jvasp-119021",
"created_at": "2022-09-04T14:38:51.184380Z",
"updated_at": "2022-09-04T14:38:51.184404Z",
"structure_string": "Dy4 Si10 Rh6\n1.0\n7.667109 0.000264 2.650977\n-1.398609 7.538465 2.650977\n0.005803 0.006979 5.720199\nDy Si Rh\n4 10 6\ndirect\n0.866369 0.598707 0.762793 Dy\n0.401292 0.133631 0.737209 Dy\n0.133631 0.401292 0.237209 Dy\n0.598707 0.866368 0.262793 Dy\n0.224255 0.775744 0.250001 Si\n0.775745 0.224255 0.750001 Si\n0.489233 0.510766 0.250001 Si\n0.510766 0.489233 0.750001 Si\n0.788476 0.211523 0.250001 Si\n0.265504 0.057845 0.337723 Si\n0.942155 0.734495 0.162279 Si\n0.734495 0.942154 0.662279 Si\n0.057845 0.265504 0.837723 Si\n0.211523 0.788476 0.750001 Si\n0.002118 0.997881 0.750001 Rh\n0.258035 0.538119 0.624517 Rh\n0.461880 0.741964 0.875485 Rh\n0.741964 0.461880 0.375485 Rh\n0.538120 0.258035 0.124517 Rh\n0.997882 0.002118 0.250001 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Rh"
],
"chemical_system": "Dy-Rh-Si",
"density": 7.782966897577787,
"density_atomic": 0.060544449358040944,
"volume": 330.3358146297814,
"volume_molar": 9.946643868849055,
"formula_full": "Dy4 Si10 Rh6",
"formula_reduced": "Dy2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.1630145,
"spacegroup": 15
},
{
"id": "jvasp-119146",
"created_at": "2022-09-04T14:38:51.257469Z",
"updated_at": "2022-09-04T14:38:51.257493Z",
"structure_string": "Sr1 Ca3 Ru4 O12\n1.0\n7.745808 -0.000000 0.000000\n0.000000 5.417084 0.005988\n-0.000000 -0.001742 5.584058\nSr Ca Ru O\n1 3 4 12\ndirect\n0.500000 0.490796 0.546630 Sr\n0.500000 0.015520 0.054993 Ca\n-0.000000 0.513331 0.440360 Ca\n-0.000000 0.986010 0.945001 Ca\n0.247139 0.000552 0.500322 Ru\n0.752446 0.499273 0.999415 Ru\n0.752862 0.000552 0.500322 Ru\n0.247554 0.499273 0.999415 Ru\n0.500000 0.930506 0.471120 O\n0.500000 0.594629 0.991110 O\n0.285894 0.294866 0.290662 O\n0.704945 0.193702 0.801990 O\n0.798929 0.697581 0.701983 O\n0.714106 0.294866 0.290662 O\n0.201071 0.697581 0.701983 O\n0.801595 0.798851 0.204055 O\n-0.000000 0.404137 0.022123 O\n0.295055 0.193702 0.801990 O\n0.198405 0.798851 0.204055 O\n-0.000000 0.095415 0.531817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru-Sr",
"density": 5.698903013798354,
"density_atomic": 0.08535866765923492,
"volume": 234.30543784777794,
"volume_molar": 7.055101637763751,
"formula_full": "Sr1 Ca3 Ru4 O12",
"formula_reduced": "SrCa3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7450200785,
"spacegroup": 6
},
{
"id": "jvasp-119663",
"created_at": "2022-09-04T14:38:51.886806Z",
"updated_at": "2022-09-04T14:38:51.886831Z",
"structure_string": "Ca1 Mn2 Cu3 Ru2 O12\n1.0\n5.190365 -0.038025 3.656188\n0.048927 5.190273 3.656188\n0.012428 0.012221 7.339726\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500001 Mn\n0.500000 0.499999 0.000001 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500000 0.499999 0.500001 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000001 Ru\n0.871061 0.519361 0.310590 O\n0.519362 0.871060 0.310590 O\n0.175989 0.175988 0.519592 O\n0.822439 0.822437 0.870949 O\n0.177561 0.177561 0.129053 O\n0.702966 0.310820 0.817138 O\n0.310821 0.702965 0.817138 O\n0.297034 0.689179 0.182864 O\n0.128939 0.480637 0.689412 O\n0.689179 0.297033 0.182864 O\n0.824011 0.824010 0.480410 O\n0.480638 0.128938 0.689412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ca-Cu-Mn-O-Ru",
"density": 6.184483617286725,
"density_atomic": 0.10138170461078377,
"volume": 197.2742525565371,
"volume_molar": 5.940066586096282,
"formula_full": "Ca1 Mn2 Cu3 Ru2 O12",
"formula_reduced": "CaMn2Cu3(RuO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.750664462637931,
"spacegroup": 12
}
]
}