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=370",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=368",
"results": [
{
"id": "jvasp-49160",
"created_at": "2022-09-04T14:38:32.425184Z",
"updated_at": "2022-09-04T14:38:32.425208Z",
"structure_string": "Nd4 Sb4 O16\n1.0\n0.000000 7.727277 -0.019958\n5.559478 0.000000 0.000000\n0.000000 -1.348844 -7.600312\nNd Sb O\n4 4 16\ndirect\n0.101408 0.272994 0.850744 Nd\n0.398593 0.772994 0.149256 Nd\n0.898593 0.727006 0.149256 Nd\n0.601408 0.227006 0.850744 Nd\n0.303041 0.769095 0.663257 Sb\n0.196959 0.269094 0.336743 Sb\n0.696960 0.230906 0.336743 Sb\n0.803041 0.730906 0.663257 Sb\n0.699148 0.408070 0.563330 O\n0.800853 0.908071 0.436670 O\n0.371921 0.503723 0.828852 O\n0.128079 0.003723 0.171148 O\n0.628079 0.496277 0.171148 O\n0.871922 0.996278 0.828852 O\n0.556816 0.864630 0.667487 O\n0.827358 0.521442 0.880857 O\n0.443185 0.135371 0.332513 O\n0.056816 0.635371 0.667487 O\n0.199147 0.091930 0.563330 O\n0.672644 0.021441 0.119143 O\n0.172643 0.478559 0.119143 O\n0.327357 0.978559 0.880857 O\n0.943185 0.364630 0.332513 O\n0.300853 0.591930 0.436670 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"O"
],
"chemical_system": "Nd-O-Sb",
"density": 6.710139679991695,
"density_atomic": 0.07347173575871481,
"volume": 326.65622708053763,
"volume_molar": 8.196540748373007,
"formula_full": "Nd4 Sb4 O16",
"formula_reduced": "NdSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9656886000000005,
"spacegroup": 14
},
{
"id": "jvasp-116770",
"created_at": "2022-09-04T14:38:33.520322Z",
"updated_at": "2022-09-04T14:38:33.520347Z",
"structure_string": "V6 O3 F15\n1.0\n4.344789 -0.009448 -2.511941\n0.036450 13.356333 0.014236\n0.002919 -0.005520 5.019057\nV O F\n6 3 15\ndirect\n0.004873 0.495802 0.029792 V\n0.975034 0.004197 0.970198 V\n0.636856 0.829135 0.308414 V\n0.328484 0.670864 0.691629 V\n0.696485 0.337529 0.338176 V\n0.358269 0.162468 0.661792 V\n0.397990 0.749991 0.000036 O\n0.935360 0.416667 0.268660 O\n0.666631 0.083323 0.731319 O\n0.720588 0.415569 0.672296 F\n0.285029 0.082252 0.946057 F\n0.612770 0.751099 0.618440 F\n0.386299 0.252069 0.376949 F\n0.043605 0.581246 0.719582 F\n0.709032 0.916661 0.042401 F\n0.048201 0.084430 0.327652 F\n0.624302 0.250002 -0.000015 F\n0.289732 0.585417 0.342656 F\n0.324012 0.918754 0.280395 F\n0.947070 0.914591 0.657358 F\n0.338993 0.417752 0.053917 F\n0.994367 0.748916 0.381660 F\n0.009339 0.247925 0.623034 F\n0.666684 0.583333 0.957620 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6397028049500935,
"density_atomic": 0.08237270794833686,
"volume": 291.3586380461415,
"volume_molar": 7.310844708148981,
"formula_full": "V6 O3 F15",
"formula_reduced": "V2OF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.1424216640625,
"spacegroup": 154
},
{
"id": "jvasp-54943",
"created_at": "2022-09-04T14:38:32.486440Z",
"updated_at": "2022-09-04T14:38:32.486456Z",
"structure_string": "Pr6 Cu2 Ge2 Se14\n1.0\n5.338457 -9.246478 0.000000\n5.338457 9.246478 0.000000\n0.000000 0.000000 6.152957\nPr Cu Ge Se\n6 2 2 14\ndirect\n0.774889 0.130909 0.748438 Pr\n0.356020 0.225111 0.748438 Pr\n0.869091 0.643980 0.748438 Pr\n0.130909 0.356020 0.248437 Pr\n0.643980 0.774889 0.248437 Pr\n0.225111 0.869091 0.248437 Pr\n0.000000 0.000000 0.219830 Cu\n0.000000 0.000000 0.719830 Cu\n0.333333 0.666667 0.830957 Ge\n0.666667 0.333333 0.330957 Ge\n0.743002 0.837978 0.730801 Se\n0.481261 0.902495 0.989027 Se\n0.905025 0.743002 0.230801 Se\n0.902495 0.421235 0.489027 Se\n0.518740 0.097506 0.489027 Se\n0.097506 0.578765 0.989027 Se\n0.094976 0.256998 0.730801 Se\n0.162023 0.905025 0.730801 Se\n0.666667 0.333333 0.948219 Se\n0.421235 0.518740 0.989027 Se\n0.837978 0.094976 0.230801 Se\n0.256998 0.162023 0.230801 Se\n0.333333 0.666667 0.448218 Se\n0.578765 0.481261 0.489027 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Pr-Se",
"density": 6.077612076141979,
"density_atomic": 0.039509840494727416,
"volume": 607.4436064403449,
"volume_molar": 15.242128757274164,
"formula_full": "Pr6 Cu2 Ge2 Se14",
"formula_reduced": "Pr3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.430034126388889,
"spacegroup": 173
},
{
"id": "jvasp-119448",
"created_at": "2022-09-04T14:38:33.500647Z",
"updated_at": "2022-09-04T14:38:33.500674Z",
"structure_string": "Y16 Mg4 Ir4\n1.0\n8.393514 0.000000 4.845997\n2.797838 7.913481 4.845997\n-0.000000 -0.000000 9.691995\nY Mg Ir\n16 4 4\ndirect\n0.596648 0.596648 0.596648 Y\n0.186636 0.186636 0.813364 Y\n0.813364 0.813364 0.186636 Y\n0.186636 0.813364 0.186636 Y\n0.813364 0.186636 0.813364 Y\n0.186636 0.813364 0.813364 Y\n0.061549 0.061549 0.438451 Y\n0.438451 0.438451 0.061549 Y\n0.813364 0.186636 0.186636 Y\n0.438451 0.061549 0.438451 Y\n0.438451 0.061549 0.061549 Y\n0.061549 0.438451 0.438451 Y\n0.210055 0.596648 0.596648 Y\n0.596648 0.210055 0.596648 Y\n0.596648 0.596648 0.210056 Y\n0.061549 0.438451 0.061549 Y\n0.829676 0.829676 0.829676 Mg\n0.829676 0.829676 0.510974 Mg\n0.829676 0.510974 0.829676 Mg\n0.510974 0.829676 0.829676 Mg\n0.391054 0.826837 0.391054 Ir\n0.391054 0.391054 0.391054 Ir\n0.391054 0.391054 0.826837 Ir\n0.826837 0.391054 0.391055 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Y",
"density": 5.903246725066371,
"density_atomic": 0.03728092481209576,
"volume": 643.7608541356041,
"volume_molar": 16.15341033076015,
"formula_full": "Y16 Mg4 Ir4",
"formula_reduced": "Y4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.768340325,
"spacegroup": 216
},
{
"id": "jvasp-42164",
"created_at": "2022-09-04T14:38:32.462972Z",
"updated_at": "2022-09-04T14:38:32.462992Z",
"structure_string": "Fe8 O6 F10\n1.0\n0.000000 6.049648 -0.020510\n4.729136 0.000000 0.000000\n0.000000 -2.964172 -9.526152\nFe O F\n8 6 10\ndirect\n0.303934 0.449488 0.356868 Fe\n0.068716 0.504830 0.871973 Fe\n0.564067 0.531499 0.891512 Fe\n0.828338 0.512557 0.397787 Fe\n0.435933 0.031499 0.108487 Fe\n0.171663 0.012557 0.602213 Fe\n0.931284 0.004829 0.128027 Fe\n0.696066 0.949489 0.643132 Fe\n0.241773 0.187788 0.207242 O\n0.115718 0.298572 0.464870 O\n0.367053 0.315481 0.970123 O\n0.632947 0.815482 0.029877 O\n0.884283 0.798573 0.535129 O\n0.758228 0.687788 0.792758 O\n0.740253 0.218643 0.232904 F\n0.389655 0.786424 0.520222 F\n0.136162 0.789714 0.025737 F\n0.516513 0.700361 0.276168 F\n0.013377 0.704646 0.275666 F\n0.259747 0.718643 0.767096 F\n0.863839 0.289714 0.974263 F\n0.610346 0.286424 0.479778 F\n0.986624 0.204645 0.724333 F\n0.483488 0.200361 0.723832 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.459764547967742,
"density_atomic": 0.08796783810701743,
"volume": 272.8269844576919,
"volume_molar": 6.8458437647106365,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.9086703260416664,
"spacegroup": 4
},
{
"id": "jvasp-22382",
"created_at": "2022-09-04T14:38:32.523624Z",
"updated_at": "2022-09-04T14:38:32.523649Z",
"structure_string": "Nd4 Be4 Si2 O14\n1.0\n7.511577 0.000000 0.000000\n0.000000 7.511577 -0.000000\n0.000000 -0.000000 4.895634\nNd Be Si O\n4 4 2 14\ndirect\n0.839615 0.660386 0.494269 Nd\n0.339615 0.839615 0.505730 Nd\n0.660386 0.160385 0.505730 Nd\n0.160385 0.339615 0.494269 Nd\n0.135467 0.635467 0.962966 Be\n0.635467 0.864534 0.037033 Be\n0.864534 0.364533 0.962966 Be\n0.364533 0.135467 0.037033 Be\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.423059 0.335546 0.191124 O\n0.576942 0.664455 0.191124 O\n0.923059 0.164455 0.808875 O\n0.835546 0.923059 0.191124 O\n0.164455 0.076942 0.191124 O\n0.076942 0.835546 0.808875 O\n0.359057 0.140943 0.712405 O\n0.500000 0.000000 0.169797 O\n0.640944 0.859057 0.712405 O\n0.140943 0.640944 0.287594 O\n0.335546 0.576942 0.808875 O\n0.859057 0.359057 0.287594 O\n0.000000 0.500000 0.830202 O\n0.664455 0.423059 0.808875 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Nd",
"Be",
"Si",
"O"
],
"chemical_system": "Be-Nd-O-Si",
"density": 5.369286415474953,
"density_atomic": 0.08688404911920261,
"volume": 276.23021996906056,
"volume_molar": 6.931238611747691,
"formula_full": "Nd4 Be4 Si2 O14",
"formula_reduced": "Nd2Be2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.461078191666666,
"spacegroup": 113
},
{
"id": "jvasp-45292",
"created_at": "2022-09-04T14:38:33.404282Z",
"updated_at": "2022-09-04T14:38:33.404311Z",
"structure_string": "Hg2 B8 O14\n1.0\n4.220908 0.000000 0.000000\n0.000000 4.421792 0.000000\n0.000000 0.000000 10.762491\nHg B O\n2 8 14\ndirect\n0.404283 0.184354 0.500000 Hg\n0.904284 0.815645 0.000000 Hg\n0.408692 0.325923 0.879792 B\n0.928984 0.173645 0.248875 B\n0.428984 0.826354 0.251125 B\n0.908693 0.674077 0.620208 B\n0.908693 0.674077 0.379792 B\n0.408692 0.325923 0.120208 B\n0.928984 0.173645 0.751125 B\n0.428984 0.826354 0.748875 B\n0.016408 0.772452 0.500000 O\n0.516408 0.227548 0.000000 O\n0.573517 0.134489 0.222115 O\n0.073517 0.865511 0.277885 O\n0.073517 0.865511 0.722115 O\n0.573517 0.134489 0.777885 O\n0.570173 0.729478 0.365299 O\n0.980874 0.354506 0.359397 O\n0.980874 0.354506 0.640603 O\n0.480874 0.645494 0.859397 O\n0.070173 0.270521 0.865299 O\n0.070173 0.270521 0.134701 O\n0.480874 0.645494 0.140603 O\n0.570173 0.729478 0.634701 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"B",
"O"
],
"chemical_system": "B-Hg-O",
"density": 5.883075372317913,
"density_atomic": 0.11947973330855804,
"volume": 200.87088693125614,
"volume_molar": 5.0403031486919545,
"formula_full": "Hg2 B8 O14",
"formula_reduced": "HgB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.185520786111112,
"spacegroup": 31
},
{
"id": "jvasp-56724",
"created_at": "2022-09-04T14:38:33.363096Z",
"updated_at": "2022-09-04T14:38:33.363109Z",
"structure_string": "Ca10 W2 N8 O4\n1.0\n0.000000 6.106241 0.020448\n6.745988 0.000000 0.000000\n0.000000 -0.149402 -8.459461\nCa W N O\n10 2 8 4\ndirect\n0.267456 0.490560 0.665018 Ca\n0.497555 0.750000 0.982995 Ca\n0.732545 0.509440 0.334982 Ca\n0.502445 0.250000 0.017005 Ca\n0.000000 0.500000 0.000000 Ca\n0.806179 0.750000 0.671145 Ca\n0.000000 0.000000 0.000000 Ca\n0.267456 0.009440 0.665018 Ca\n0.732545 0.990560 0.334982 Ca\n0.193821 0.250000 0.328854 Ca\n0.718003 0.250000 0.677121 W\n0.281997 0.750000 0.322879 W\n0.335177 0.975322 0.190373 N\n0.028808 0.750000 0.446893 N\n0.664823 0.475322 0.809627 N\n0.971192 0.250000 0.553107 N\n0.335177 0.524678 0.190373 N\n0.664823 0.024678 0.809627 N\n0.494118 0.250000 0.523170 N\n0.505882 0.750000 0.476830 N\n0.807958 0.750000 0.128723 O\n0.151858 0.750000 0.829241 O\n0.192042 0.250000 0.871277 O\n0.848142 0.250000 0.170759 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"W",
"N",
"O"
],
"chemical_system": "Ca-N-O-W",
"density": 4.50111073293933,
"density_atomic": 0.06887708034244534,
"volume": 348.4468255721062,
"volume_molar": 8.743315962376629,
"formula_full": "Ca10 W2 N8 O4",
"formula_reduced": "Ca5W(N2O)2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 3.006441008333333,
"spacegroup": 11
},
{
"id": "jvasp-33905",
"created_at": "2022-09-04T14:38:32.533182Z",
"updated_at": "2022-09-04T14:38:32.533206Z",
"structure_string": "Te8 Mo8 S8\n1.0\n-1.855841 -2.822378 0.000235\n0.000076 0.001164 14.558487\n-7.749148 9.138150 -0.001826\nTe Mo S\n8 8 8\ndirect\n0.703260 0.106381 0.703304 Te\n0.073343 0.886244 0.573310 Te\n0.926654 0.113759 0.426686 Te\n0.426690 0.386249 0.926722 Te\n0.573315 0.613755 0.073282 Te\n0.296741 0.893622 0.296697 Te\n0.203296 0.393631 0.203340 Te\n0.796703 0.606372 0.796658 Te\n0.357540 0.250846 0.357575 Mo\n0.642454 0.749153 0.642418 Mo\n0.857548 0.249155 0.857583 Mo\n0.892482 0.764213 0.392437 Mo\n0.107516 0.235788 0.607560 Mo\n0.392480 0.735780 0.892435 Mo\n0.607522 0.264220 0.107566 Mo\n0.142459 0.750844 0.142423 Mo\n0.182241 0.160313 0.182286 S\n0.450641 0.153925 0.950677 S\n0.049337 0.653923 0.549301 S\n0.950661 0.346076 0.450696 S\n0.682273 0.339688 0.682318 S\n0.817753 0.839683 0.817707 S\n0.317729 0.660309 0.317683 S\n0.549365 0.846072 0.049328 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.006549140958763,
"density_atomic": 0.04245490239378469,
"volume": 565.3057396620832,
"volume_molar": 14.184794736170748,
"formula_full": "Te8 Mo8 S8",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.413807888888889,
"spacegroup": 55
},
{
"id": "jvasp-57117",
"created_at": "2022-09-04T14:38:33.389140Z",
"updated_at": "2022-09-04T14:38:33.389168Z",
"structure_string": "Y6 Cu2 Si2 S14\n1.0\n4.944222 -8.563643 -0.000000\n4.944222 8.563643 0.000000\n0.000000 -0.000000 5.685983\nY Cu Si S\n6 2 2 14\ndirect\n0.770874 0.128387 0.743308 Y\n0.229126 0.871612 0.243308 Y\n0.357513 0.229126 0.743308 Y\n0.128387 0.357513 0.243308 Y\n0.642487 0.770874 0.243308 Y\n0.871612 0.642487 0.743308 Y\n0.000000 0.000000 0.703917 Cu\n0.000000 0.000000 0.203917 Cu\n0.333333 0.666667 0.830201 Si\n0.666667 0.333333 0.330201 Si\n0.835167 0.094222 0.219348 S\n0.477443 0.894322 0.980720 S\n0.333333 0.666667 0.458854 S\n0.164833 0.905777 0.719347 S\n0.740945 0.835167 0.719347 S\n0.416879 0.522557 0.980720 S\n0.894322 0.416879 0.480720 S\n0.583121 0.477443 0.480720 S\n0.259054 0.164833 0.219348 S\n0.666667 0.333333 0.958854 S\n0.522557 0.105678 0.480720 S\n0.094222 0.259054 0.719347 S\n0.105678 0.583121 0.980720 S\n0.905777 0.740945 0.219348 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Si",
"S"
],
"chemical_system": "Cu-S-Si-Y",
"density": 4.019847565411633,
"density_atomic": 0.04984472132137988,
"volume": 481.4953191383515,
"volume_molar": 12.081802446384478,
"formula_full": "Y6 Cu2 Si2 S14",
"formula_reduced": "Y3CuSiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.3710571166666665,
"spacegroup": 173
},
{
"id": "jvasp-56370",
"created_at": "2022-09-04T14:38:33.619053Z",
"updated_at": "2022-09-04T14:38:33.619076Z",
"structure_string": "K8 Cu4 Cl12\n1.0\n4.102720 0.000000 0.000000\n0.000000 11.944324 0.000000\n0.000000 0.000000 12.519244\nK Cu Cl\n8 4 12\ndirect\n0.750000 0.674038 0.017634 K\n0.250000 0.487077 0.324961 K\n0.750000 0.174038 0.482366 K\n0.750000 0.512923 0.675039 K\n0.250000 0.825962 0.517634 K\n0.250000 0.987077 0.175039 K\n0.250000 0.325962 0.982366 K\n0.750000 0.012923 0.824960 K\n0.250000 0.245374 0.699305 Cu\n0.750000 0.254626 0.199305 Cu\n0.750000 0.754625 0.300695 Cu\n0.250000 0.745374 0.800695 Cu\n0.250000 0.366620 0.551804 Cl\n0.250000 0.222680 0.291763 Cl\n0.250000 0.722680 0.208236 Cl\n0.750000 0.277320 0.791763 Cl\n0.750000 0.777319 0.708236 Cl\n0.250000 0.558565 0.860585 Cl\n0.750000 0.441434 0.139415 Cl\n0.250000 0.866620 0.948196 Cl\n0.750000 0.633380 0.448196 Cl\n0.750000 0.133380 0.051804 Cl\n0.250000 0.058565 0.639414 Cl\n0.750000 0.941434 0.360585 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K",
"density": 2.6861304245072084,
"density_atomic": 0.03912007545704936,
"volume": 613.4957491672028,
"volume_molar": 15.393990654777282,
"formula_full": "K8 Cu4 Cl12",
"formula_reduced": "K2CuCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-49291",
"created_at": "2022-09-04T14:38:32.568388Z",
"updated_at": "2022-09-04T14:38:32.568412Z",
"structure_string": "Si16 Os8\n1.0\n6.582039 -0.019600 -0.000000\n-1.466181 6.416693 0.000000\n-0.000000 0.000000 8.326468\nSi Os\n16 8\ndirect\n0.924000 0.177888 0.725570 Si\n0.850688 0.595411 0.057271 Si\n0.649312 0.904588 0.557272 Si\n0.095411 0.350687 0.442729 Si\n0.404589 0.149312 0.942729 Si\n0.350688 0.095411 0.442729 Si\n0.904589 0.649312 0.557272 Si\n0.595411 0.850687 0.057271 Si\n0.149312 0.404589 0.942729 Si\n0.322112 0.576000 0.225570 Si\n0.424000 0.677888 0.774430 Si\n0.076000 0.822111 0.274430 Si\n0.822112 0.076000 0.274430 Si\n0.677889 0.424000 0.774430 Si\n0.576000 0.322111 0.225570 Si\n0.177888 0.924000 0.725570 Si\n0.283474 0.716526 0.500000 Os\n0.809835 0.809835 0.816990 Os\n0.690165 0.690165 0.316990 Os\n0.309835 0.309835 0.683010 Os\n0.190165 0.190165 0.183010 Os\n0.716526 0.283474 0.500000 Os\n0.783474 0.216526 0.000000 Os\n0.216526 0.783473 0.000000 Os\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"Os"
],
"chemical_system": "Os-Si",
"density": 9.31417986412515,
"density_atomic": 0.06829270444328953,
"volume": 351.42846070665826,
"volume_molar": 8.818131906023437,
"formula_full": "Si16 Os8",
"formula_reduced": "Si2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 3.507610733333334,
"spacegroup": 64
}
]
}