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=4324",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4322",
"results": [
{
"id": "jvasp-52774",
"created_at": "2022-09-04T14:37:37.155113Z",
"updated_at": "2022-09-04T14:37:37.155127Z",
"structure_string": "Na4 B2 H8 Cl2 O8\n1.0\n7.246402 0.000000 0.000000\n0.000000 7.246402 0.000000\n0.000000 0.000000 4.800888\nNa B H Cl O\n4 2 8 2 8\ndirect\n0.750000 0.250000 0.500000 Na\n0.750000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.000000 B\n0.272060 0.000000 0.064147 H\n0.727940 0.000000 0.064147 H\n0.500000 0.227940 0.064147 H\n0.500000 0.772060 0.064147 H\n0.772060 0.500000 0.935854 H\n0.000000 0.727940 0.935854 H\n0.000000 0.272060 0.935854 H\n0.227940 0.500000 0.935854 H\n0.000000 0.500000 0.257738 Cl\n0.500000 0.000000 0.742262 Cl\n0.836128 0.000000 0.187543 O\n0.000000 0.163871 0.812457 O\n0.000000 0.836128 0.812457 O\n0.663871 0.500000 0.812457 O\n0.336128 0.500000 0.812457 O\n0.500000 0.336128 0.187543 O\n0.500000 0.663871 0.187543 O\n0.163871 0.000000 0.187543 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Cl-H-Na-O",
"density": 2.1114109211091723,
"density_atomic": 0.09520172571475427,
"volume": 252.09627052254686,
"volume_molar": 6.325663442324233,
"formula_full": "Na4 B2 H8 Cl2 O8",
"formula_reduced": "Na2BH4ClO4",
"formula_anonymous": "ABC2D4E4",
"energy_above_hull": 2.2104323875694445,
"spacegroup": 129
},
{
"id": "jvasp-57585",
"created_at": "2022-09-04T14:37:29.369098Z",
"updated_at": "2022-09-04T14:37:29.369124Z",
"structure_string": "Nd6 Cu2 Sn2 S14\n1.0\n5.073478 -8.787522 -0.000000\n5.073478 8.787522 -0.000000\n0.000000 0.000000 6.096970\nNd Cu Sn S\n6 2 2 14\ndirect\n0.781108 0.642174 0.260367 Nd\n0.861066 0.218893 0.260367 Nd\n0.218893 0.357827 0.760367 Nd\n0.642174 0.861066 0.760367 Nd\n0.138934 0.781108 0.760367 Nd\n0.357827 0.138934 0.260367 Nd\n0.000000 0.000000 0.702103 Cu\n0.000000 0.000000 0.202103 Cu\n0.666667 0.333333 0.832564 Sn\n0.333333 0.666667 0.332564 Sn\n0.154138 0.256446 0.219858 S\n0.483985 0.570060 0.504690 S\n0.102308 0.845862 0.219858 S\n0.256446 0.102308 0.719858 S\n0.666667 0.333333 0.442587 S\n0.333333 0.666667 0.942587 S\n0.897693 0.154138 0.719858 S\n0.429941 0.913925 0.504690 S\n0.743554 0.897693 0.219858 S\n0.516016 0.429941 0.004690 S\n0.570060 0.086076 0.004690 S\n0.913925 0.483985 0.004690 S\n0.086075 0.516016 0.504690 S\n0.845862 0.743554 0.719858 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Nd-S-Sn",
"density": 5.128034523659971,
"density_atomic": 0.04414636819814991,
"volume": 543.6460796112735,
"volume_molar": 13.641305062671899,
"formula_full": "Nd6 Cu2 Sn2 S14",
"formula_reduced": "Nd3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.7155447208333332,
"spacegroup": 173
},
{
"id": "jvasp-14104",
"created_at": "2022-09-04T14:37:29.323192Z",
"updated_at": "2022-09-04T14:37:29.323205Z",
"structure_string": "K4 In4 Br16\n1.0\n7.894724 0.000000 0.000000\n0.000000 10.357366 0.000000\n0.000000 0.000000 10.275942\nK In Br\n4 4 16\ndirect\n0.823154 0.250000 0.250000 K\n0.676845 0.250000 0.750000 K\n0.176845 0.750000 0.750000 K\n0.323155 0.750000 0.250000 K\n0.250000 0.321145 0.500000 In\n0.250000 0.178855 0.000000 In\n0.750000 0.678855 0.500000 In\n0.750000 0.821145 0.000000 In\n0.993881 0.178233 0.545163 Br\n0.993881 0.321767 0.954837 Br\n0.493881 0.678233 0.954837 Br\n0.493881 0.821767 0.545163 Br\n0.006119 0.821767 0.454837 Br\n0.006119 0.678233 0.045163 Br\n0.151907 0.044331 0.192991 Br\n0.848092 0.955669 0.807009 Br\n0.348093 0.455669 0.692991 Br\n0.348093 0.044331 0.807009 Br\n0.506118 0.178233 0.454837 Br\n0.848092 0.544332 0.692991 Br\n0.651907 0.544332 0.307009 Br\n0.651907 0.955669 0.192991 Br\n0.151907 0.455669 0.307009 Br\n0.506118 0.321767 0.045163 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"In",
"Br"
],
"chemical_system": "Br-In-K",
"density": 3.7432667574219844,
"density_atomic": 0.028562967286346674,
"volume": 840.2488354727834,
"volume_molar": 21.08373650267993,
"formula_full": "K4 In4 Br16",
"formula_reduced": "KInBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-57047",
"created_at": "2022-09-04T14:37:29.398735Z",
"updated_at": "2022-09-04T14:37:29.398761Z",
"structure_string": "Mg4 Se4 O16\n1.0\n4.936731 -0.000000 0.000000\n-0.000000 6.721348 0.000000\n0.000000 0.000000 9.124871\nMg Se O\n4 4 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.476989 0.250000 0.818820 Se\n0.023011 0.250000 0.318820 Se\n0.523011 0.750000 0.181180 Se\n0.976989 0.750000 0.681180 Se\n0.199949 0.750000 0.122416 O\n0.330161 0.456933 0.875275 O\n0.060398 0.250000 0.134206 O\n0.800051 0.250000 0.877584 O\n0.830161 0.543067 0.624724 O\n0.300051 0.750000 0.622416 O\n0.669839 0.956933 0.124724 O\n0.330161 0.043067 0.875275 O\n0.939602 0.750000 0.865794 O\n0.669839 0.543067 0.124724 O\n0.169839 0.043067 0.375276 O\n0.560398 0.750000 0.365794 O\n0.830161 0.956933 0.624724 O\n0.699949 0.250000 0.377584 O\n0.439602 0.250000 0.634206 O\n0.169839 0.456933 0.375276 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.6693180188796832,
"density_atomic": 0.07926631396570695,
"volume": 302.77678876783824,
"volume_molar": 7.597351836752954,
"formula_full": "Mg4 Se4 O16",
"formula_reduced": "MgSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6293310694444445,
"spacegroup": 62
},
{
"id": "jvasp-24821",
"created_at": "2022-09-04T14:37:37.050560Z",
"updated_at": "2022-09-04T14:37:37.050583Z",
"structure_string": "K4 Sc4 F16\n1.0\n4.105280 -0.000000 0.000000\n-2.052639 7.364701 -2.402229\n0.000000 0.033488 13.386592\nK Sc F\n4 4 16\ndirect\n0.633383 0.266767 0.363761 K\n0.366617 0.733233 0.636239 K\n0.244183 0.488365 0.135877 K\n0.755817 0.511635 0.864122 K\n0.972374 0.944749 0.139592 Sc\n0.876933 0.753868 0.386532 Sc\n0.123067 0.246132 0.613467 Sc\n0.027626 0.055251 0.860408 Sc\n0.162468 0.324935 0.929261 F\n0.837532 0.675065 0.070738 F\n0.179898 0.359796 0.501406 F\n0.820102 0.640204 0.498594 F\n0.000000 0.000000 0.500000 F\n0.895762 0.791524 0.782461 F\n0.104237 0.208476 0.217539 F\n0.763537 0.527075 0.268005 F\n0.236463 0.472925 0.731995 F\n0.470252 0.940504 0.143907 F\n0.529748 0.059496 0.856093 F\n0.954821 0.909641 0.284834 F\n0.045179 0.090359 0.715166 F\n0.000000 0.000000 0.000000 F\n0.380567 0.761135 0.382485 F\n0.619433 0.238865 0.617515 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sc",
"F"
],
"chemical_system": "F-K-Sc",
"density": 2.6244403391783546,
"density_atomic": 0.05925009913992649,
"volume": 405.06261336915253,
"volume_molar": 10.163933643010395,
"formula_full": "K4 Sc4 F16",
"formula_reduced": "KScF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-57180",
"created_at": "2022-09-04T14:37:37.080354Z",
"updated_at": "2022-09-04T14:37:37.080367Z",
"structure_string": "Dy6 Cu2 Sn2 S14\n1.0\n4.859604 -8.417082 -0.000000\n4.859604 8.417082 -0.000000\n0.000000 0.000000 6.227632\nDy Cu Sn S\n6 2 2 14\ndirect\n0.846733 0.206805 0.266764 Dy\n0.153266 0.793194 0.766764 Dy\n0.793194 0.639927 0.266764 Dy\n0.639927 0.846733 0.766764 Dy\n0.360072 0.153266 0.266764 Dy\n0.206805 0.360072 0.766764 Dy\n0.000000 0.000000 0.151057 Cu\n0.000000 0.000000 0.651056 Cu\n0.666667 0.333333 0.830785 Sn\n0.333333 0.666667 0.330785 Sn\n0.117517 0.853528 0.188101 S\n0.080069 0.520792 0.513572 S\n0.853528 0.736009 0.688100 S\n0.440722 0.919930 0.513572 S\n0.882482 0.146471 0.688100 S\n0.520791 0.440722 0.013573 S\n0.479208 0.559277 0.513572 S\n0.333333 0.666667 0.945244 S\n0.146471 0.263990 0.188101 S\n0.559277 0.080069 0.013573 S\n0.736009 0.882482 0.188101 S\n0.666667 0.333333 0.445245 S\n0.263990 0.117517 0.688100 S\n0.919930 0.479208 0.013573 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Dy-S-Sn",
"density": 5.82912978418458,
"density_atomic": 0.047108130068808055,
"volume": 509.46619967603516,
"volume_molar": 12.783654862130625,
"formula_full": "Dy6 Cu2 Sn2 S14",
"formula_reduced": "Dy3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.6477451374999998,
"spacegroup": 173
},
{
"id": "jvasp-42609",
"created_at": "2022-09-04T14:37:29.552278Z",
"updated_at": "2022-09-04T14:37:29.552292Z",
"structure_string": "Li4 Fe4 F16\n1.0\n0.000000 6.948688 0.016907\n4.885716 0.000000 0.000000\n0.000000 -1.424557 -7.102393\nLi Fe F\n4 4 16\ndirect\n0.841426 0.248003 0.144255 Li\n0.341426 0.251998 0.144256 Li\n0.658574 0.748003 0.855744 Li\n0.158573 0.751998 0.855744 Li\n0.692481 0.745658 0.325285 Fe\n0.192481 0.754343 0.325285 Fe\n0.807519 0.245658 0.674714 Fe\n0.307519 0.254343 0.674714 Fe\n0.405727 0.566194 0.801234 F\n0.905728 0.933807 0.801234 F\n0.557741 0.097191 0.679407 F\n0.191682 0.928686 0.557171 F\n0.057741 0.402809 0.679407 F\n0.691682 0.571315 0.557170 F\n0.308318 0.428686 0.442829 F\n0.094272 0.066194 0.198765 F\n0.808318 0.071315 0.442829 F\n0.442258 0.902809 0.320592 F\n0.807822 0.415807 0.902265 F\n0.594272 0.433807 0.198765 F\n0.192178 0.584193 0.097734 F\n0.692178 0.915808 0.097734 F\n0.942258 0.597192 0.320592 F\n0.307822 0.084193 0.902265 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.824820222317042,
"density_atomic": 0.09958352802861102,
"volume": 241.0037129142948,
"volume_molar": 6.0473261785521375,
"formula_full": "Li4 Fe4 F16",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2507094383333332,
"spacegroup": 14
},
{
"id": "jvasp-30599",
"created_at": "2022-09-04T14:37:29.699426Z",
"updated_at": "2022-09-04T14:37:29.699445Z",
"structure_string": "Mo6 O18\n1.0\n5.957031 0.000000 -0.000000\n-2.978516 5.158940 0.000000\n0.000000 -0.000000 10.465759\nMo O\n6 18\ndirect\n0.674635 -0.000000 0.479166 Mo\n0.674634 0.674635 0.979166 Mo\n-0.000000 0.325365 0.979166 Mo\n-0.000000 0.674635 0.479166 Mo\n0.325365 0.325365 0.479166 Mo\n0.325365 -0.000000 0.979166 Mo\n-0.000000 0.258404 0.134346 O\n-0.000001 0.741596 0.634346 O\n0.258404 0.258404 0.634346 O\n0.258404 -0.000000 0.134346 O\n0.359575 -0.000000 0.405420 O\n0.359575 0.359575 0.905420 O\n-0.000000 0.640425 0.905420 O\n-0.000000 0.359575 0.405420 O\n0.000000 0.000000 0.424697 O\n0.640425 -0.000000 0.905420 O\n0.741595 0.741596 0.134346 O\n0.000000 0.000000 0.924697 O\n0.333332 0.666667 0.025718 O\n0.666667 0.333333 0.525718 O\n0.333332 0.666667 0.525718 O\n0.666667 0.333333 0.025718 O\n0.640424 0.640425 0.405420 O\n0.741595 -0.000000 0.634346 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.458772853500585,
"density_atomic": 0.0746191289037285,
"volume": 321.63334459404,
"volume_molar": 8.070505309395392,
"formula_full": "Mo6 O18",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8679091,
"spacegroup": 185
},
{
"id": "jvasp-50746",
"created_at": "2022-09-04T14:37:28.964906Z",
"updated_at": "2022-09-04T14:37:28.964926Z",
"structure_string": "Ag8 Sn4 O12\n1.0\n5.712049 -0.000001 0.000003\n-2.856025 4.946778 0.000008\n0.000008 0.000027 12.804293\nAg Sn O\n8 4 12\ndirect\n0.999991 0.679158 0.499999 Ag\n0.000011 0.320845 -0.000002 Ag\n0.333328 0.666659 0.750001 Ag\n0.320835 0.320843 0.500001 Ag\n0.320841 0.999999 -0.000000 Ag\n0.679166 0.679155 0.000002 Ag\n0.666671 0.333343 0.249999 Ag\n0.679157 0.000001 0.499999 Ag\n-0.000006 -0.000009 0.749999 Sn\n0.666663 0.333327 0.749999 Sn\n0.333336 0.666674 0.250000 Sn\n0.000005 0.000010 0.250000 Sn\n0.717248 0.051004 0.661717 O\n0.051013 0.717260 0.338282 O\n0.282754 0.948999 0.161718 O\n0.051022 0.333768 0.161716 O\n0.282747 0.333767 0.338284 O\n0.666244 0.948997 0.338282 O\n0.333754 0.282742 0.661717 O\n0.666247 0.717262 0.161718 O\n0.333755 0.051002 0.838282 O\n0.717253 0.666232 0.838284 O\n0.948981 0.666234 0.661716 O\n0.948985 0.282738 0.838282 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"O"
],
"chemical_system": "Ag-O-Sn",
"density": 7.021141366452587,
"density_atomic": 0.06633478671564155,
"volume": 361.80111806013946,
"volume_molar": 9.078405250348075,
"formula_full": "Ag8 Sn4 O12",
"formula_reduced": "Ag2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1529277866666667,
"spacegroup": 182
},
{
"id": "jvasp-51948",
"created_at": "2022-09-04T14:37:29.725894Z",
"updated_at": "2022-09-04T14:37:29.725918Z",
"structure_string": "Ta4 Sb4 O16\n1.0\n6.229951 0.000000 0.000000\n0.000000 6.262270 0.000000\n0.000000 0.000000 10.460218\nTa Sb O\n4 4 16\ndirect\n0.750000 0.995947 0.000000 Ta\n0.250000 0.004053 0.000000 Ta\n0.750000 0.504053 0.500000 Ta\n0.250000 0.495947 0.500000 Ta\n0.982667 0.750000 0.750000 Sb\n0.517333 0.750000 0.250000 Sb\n0.017333 0.250000 0.250000 Sb\n0.482667 0.250000 0.750000 Sb\n0.755069 0.546388 0.312073 O\n0.516617 0.292976 0.519882 O\n0.244931 0.046388 0.812073 O\n0.255069 0.453612 0.312073 O\n0.016617 0.792976 0.980118 O\n0.983382 0.207024 0.019882 O\n0.255069 0.046388 0.187927 O\n0.744930 0.953612 0.812073 O\n0.244931 0.453612 0.687927 O\n0.516617 0.207024 0.980118 O\n0.016617 0.707024 0.519882 O\n0.755069 0.953612 0.187927 O\n0.983382 0.292976 0.480118 O\n0.483383 0.707024 0.480118 O\n0.483383 0.792976 0.019882 O\n0.744930 0.546388 0.687927 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ta",
"Sb",
"O"
],
"chemical_system": "O-Sb-Ta",
"density": 5.968556836428369,
"density_atomic": 0.05881039369597624,
"volume": 408.0911296746184,
"volume_molar": 10.23992594086652,
"formula_full": "Ta4 Sb4 O16",
"formula_reduced": "TaSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.961579883333333,
"spacegroup": 52
},
{
"id": "jvasp-42738",
"created_at": "2022-09-04T14:37:29.957805Z",
"updated_at": "2022-09-04T14:37:29.957823Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.221026 -0.010320 0.016211\n-2.410089 5.411433 -0.069452\n-0.092739 -2.219795 8.663414\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.584943 0.315628 0.964967 Li\n0.090026 0.320407 0.466431 Li\n0.912867 0.680762 0.535709 Li\n0.413364 0.682193 0.033320 Li\n0.545865 0.236631 0.295160 Mn\n0.042370 0.234676 0.791417 Mn\n0.955269 0.763331 0.206124 Mn\n0.454557 0.766369 0.707113 Fe\n0.053964 0.260180 0.129660 B\n0.448915 0.741354 0.371973 B\n0.552794 0.257985 0.630172 B\n0.944370 0.740782 0.868034 B\n0.282147 0.706899 0.491328 O\n0.623284 0.177076 0.753316 O\n0.726409 0.296544 0.514151 O\n0.816320 0.310403 0.131191 O\n0.316158 0.308592 0.629709 O\n0.127189 0.180495 0.252643 O\n0.777896 0.701574 0.986544 O\n0.222998 0.298339 0.011873 O\n0.862988 0.815696 0.745317 O\n0.684863 0.688959 0.369946 O\n0.186869 0.696583 0.865465 O\n0.373571 0.818522 0.248433 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2936497213420353,
"density_atomic": 0.0984236442553101,
"volume": 243.8438464820933,
"volume_molar": 6.118591529062486,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.406013314894636,
"spacegroup": 1
},
{
"id": "jvasp-57520",
"created_at": "2022-09-04T14:37:29.745297Z",
"updated_at": "2022-09-04T14:37:29.745320Z",
"structure_string": "Ca4 Al4 Si2 O14\n1.0\n7.666501 0.000000 0.000000\n0.000000 7.666501 -0.000000\n0.000000 0.000000 5.145971\nCa Al Si O\n4 4 2 14\ndirect\n0.844620 0.344620 0.485057 Ca\n0.155380 0.655380 0.485057 Ca\n0.655380 0.844620 0.514943 Ca\n0.344620 0.155380 0.514943 Ca\n0.644550 0.144551 0.026440 Al\n0.355449 0.855449 0.026440 Al\n0.855449 0.644550 0.973560 Al\n0.144551 0.355449 0.973560 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.854823 0.645177 0.309887 O\n0.093757 0.150842 0.820049 O\n0.150842 0.906243 0.179951 O\n0.000000 0.500000 0.821192 O\n0.500000 0.000000 0.178808 O\n0.849158 0.093757 0.179951 O\n0.406243 0.650842 0.179951 O\n0.145177 0.354823 0.309887 O\n0.349158 0.406243 0.820049 O\n0.354823 0.854823 0.690113 O\n0.906243 0.849158 0.820049 O\n0.645177 0.145177 0.690113 O\n0.650842 0.593757 0.820049 O\n0.593757 0.349158 0.179951 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.0108243052403654,
"density_atomic": 0.07935047191927458,
"volume": 302.45566812023327,
"volume_molar": 7.589294196166206,
"formula_full": "Ca4 Al4 Si2 O14",
"formula_reduced": "Ca2Al2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.015294961666667,
"spacegroup": 113
}
]
}