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=-volume&page=366",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=364",
"results": [
{
"id": "jvasp-117845",
"created_at": "2022-09-04T14:38:29.133585Z",
"updated_at": "2022-09-04T14:38:29.133619Z",
"structure_string": "P1 Br5\n1.0\n6.468649 0.000000 0.000000\n0.000000 7.476774 0.000000\n0.000000 0.000000 8.064825\nP Br\n1 5\ndirect\n0.825357 0.000000 0.500000 P\n0.820655 0.000000 0.206058 Br\n0.652908 0.736138 0.500000 Br\n0.652908 0.263861 0.500000 Br\n0.171742 0.000000 0.500000 Br\n0.820655 0.000000 0.793942 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 1.8327075651553746,
"density_atomic": 0.015382554509252045,
"volume": 390.052250189734,
"volume_molar": 39.14915923995525,
"formula_full": "P1 Br5",
"formula_reduced": "PBr5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4670876708333333,
"spacegroup": 25
},
{
"id": "jvasp-122091",
"created_at": "2022-09-04T14:38:55.436474Z",
"updated_at": "2022-09-04T14:38:55.436500Z",
"structure_string": "Tm10 Ga6\n1.0\n8.394770 0.019037 0.102166\n-4.182404 7.278737 0.102166\n-0.015601 -0.027028 6.373276\nTm Ga\n10 6\ndirect\n0.854869 0.145131 0.500001 Tm\n0.145132 0.854869 0.500001 Tm\n0.814523 0.185478 0.000001 Tm\n0.185478 0.814523 0.000001 Tm\n0.506103 0.745827 0.264487 Tm\n0.493897 0.254174 0.735515 Tm\n0.254174 0.493897 0.735515 Tm\n0.745827 0.506103 0.264487 Tm\n0.268605 0.268605 0.227198 Tm\n0.731396 0.731396 0.772804 Tm\n0.908460 0.908459 0.190631 Ga\n0.091541 0.091541 0.809371 Ga\n0.501792 0.098781 0.285421 Ga\n0.498209 0.901220 0.714581 Ga\n0.901220 0.498208 0.714581 Ga\n0.098781 0.501792 0.285421 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.974476703548225,
"density_atomic": 0.04102752555269479,
"volume": 389.9820860375792,
"volume_molar": 14.67829384997958,
"formula_full": "Tm10 Ga6",
"formula_reduced": "Tm5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-103650",
"created_at": "2022-09-04T14:36:53.902831Z",
"updated_at": "2022-09-04T14:36:53.902848Z",
"structure_string": "Rb2 Dy2 I6\n1.0\n8.218823 -0.136322 0.000000\n-7.089629 4.159903 0.000000\n-0.000000 -0.000000 11.737858\nRb Dy I\n2 2 6\ndirect\n0.258265 0.741735 0.250000 Rb\n0.741735 0.258265 0.750000 Rb\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.639725 0.360275 0.048649 I\n0.360274 0.639725 0.951351 I\n0.360274 0.639725 0.548649 I\n0.639725 0.360275 0.451351 I\n0.948016 0.051985 0.250000 I\n0.051984 0.948015 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"I"
],
"chemical_system": "Dy-I-Rb",
"density": 5.354037774045129,
"density_atomic": 0.025643178615756036,
"volume": 389.96725600373355,
"volume_molar": 23.484377074454386,
"formula_full": "Rb2 Dy2 I6",
"formula_reduced": "RbDyI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-96470",
"created_at": "2022-09-04T14:35:52.901473Z",
"updated_at": "2022-09-04T14:35:52.901498Z",
"structure_string": "Ca4 Se6 O16\n1.0\n5.511787 0.031172 -0.583800\n-1.015970 8.071834 -0.303162\n-0.019035 0.052960 8.758125\nCa Se O\n4 6 16\ndirect\n0.757855 0.042972 0.651628 Ca\n0.242145 0.957027 0.348372 Ca\n0.712009 0.841838 0.041464 Ca\n0.287991 0.158161 0.958536 Ca\n0.729823 0.670768 0.425007 Se\n0.773850 0.445063 0.819973 Se\n0.226149 0.554936 0.180027 Se\n0.180259 0.801083 0.764316 Se\n0.819741 0.198917 0.235684 Se\n0.270177 0.329231 0.574993 Se\n0.007760 0.085220 0.138727 O\n0.992239 0.914779 0.861272 O\n0.544516 0.076915 0.179337 O\n0.551568 0.814222 0.478930 O\n0.086064 0.863425 0.584090 O\n0.253548 0.429264 0.030285 O\n0.746452 0.570735 0.969714 O\n0.318528 0.750489 0.129943 O\n0.681472 0.249511 0.870057 O\n0.507490 0.513789 0.313180 O\n0.492509 0.486210 0.686819 O\n0.125013 0.238048 0.718033 O\n0.874986 0.761952 0.281967 O\n0.448432 0.185777 0.521070 O\n0.913936 0.136574 0.415909 O\n0.455484 0.923083 0.820663 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Se",
"O"
],
"chemical_system": "Ca-O-Se",
"density": 3.7901018885762943,
"density_atomic": 0.06667371905234225,
"volume": 389.95874790768283,
"volume_molar": 9.03225565574393,
"formula_full": "Ca4 Se6 O16",
"formula_reduced": "Ca2Se3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9986029953846156,
"spacegroup": 2
},
{
"id": "jvasp-112996",
"created_at": "2022-09-04T14:38:46.339025Z",
"updated_at": "2022-09-04T14:38:46.339059Z",
"structure_string": "Yb1 Fe4 Sb12\n1.0\n7.515165 0.000000 -2.657012\n-3.757583 6.508324 -2.657012\n0.000000 0.000000 7.971037\nYb Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.494653 0.161521 0.333131 Sb\n0.505348 0.838478 0.666870 Sb\n0.333131 0.171611 0.838479 Sb\n0.666869 0.828389 0.161522 Sb\n0.333131 0.494652 0.161522 Sb\n0.838479 0.333131 0.171611 Sb\n0.171611 0.838478 0.333131 Sb\n0.161522 0.666869 0.828390 Sb\n0.161522 0.333131 0.494653 Sb\n0.838479 0.666869 0.505348 Sb\n0.666869 0.505347 0.838479 Sb\n0.828390 0.161521 0.666870 Sb\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Yb",
"density": 7.911608014550012,
"density_atomic": 0.043604008043245296,
"volume": 389.87241684617277,
"volume_molar": 13.81097983934734,
"formula_full": "Yb1 Fe4 Sb12",
"formula_reduced": "Yb(FeSb3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.36879564117647,
"spacegroup": 204
},
{
"id": "jvasp-109247",
"created_at": "2022-09-04T14:38:17.542859Z",
"updated_at": "2022-09-04T14:38:17.542884Z",
"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n7.101363 -0.000000 4.099974\n2.367121 6.695229 4.099974\n-0.000000 -0.000000 8.199948\nRb Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754269 0.245731 0.245731 I\n0.245731 0.245731 0.754269 I\n0.245731 0.754269 0.754269 I\n0.245731 0.754269 0.245730 I\n0.754269 0.245731 0.754269 I\n0.754269 0.754269 0.245730 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"I"
],
"chemical_system": "Ag-Ga-I-Rb",
"density": 4.727545115871974,
"density_atomic": 0.025649668268904913,
"volume": 389.8685899233636,
"volume_molar": 23.47843526421213,
"formula_full": "Rb2 Ga1 Ag1 I6",
"formula_reduced": "Rb2GaAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-88075",
"created_at": "2022-09-04T14:36:08.618216Z",
"updated_at": "2022-09-04T14:36:08.618241Z",
"structure_string": "Na6 Eu2 C6 O18\n1.0\n6.547023 -0.020373 -0.000000\n-2.690726 5.968578 0.000000\n0.000000 0.000000 9.990665\nNa Eu C O\n6 2 6 18\ndirect\n0.401785 0.365818 0.250000 Na\n0.068416 0.068416 0.500000 Na\n0.206703 0.798240 0.750000 Na\n0.365817 0.401786 0.750000 Na\n0.068416 0.068416 0.000000 Na\n0.798240 0.206704 0.250000 Na\n0.227808 0.772051 0.250000 Eu\n0.772050 0.227808 0.750000 Eu\n0.119786 0.532407 0.001274 C\n0.532407 0.119787 0.998727 C\n0.532407 0.119787 0.501274 C\n0.119786 0.532407 0.498726 C\n0.784052 0.760327 0.250000 C\n0.760325 0.784053 0.750000 C\n0.101421 0.436070 0.886241 O\n0.589660 0.764882 0.250000 O\n0.721411 0.104296 0.513027 O\n0.764881 0.589661 0.750000 O\n0.436070 0.101422 0.113759 O\n0.159791 0.442149 0.391091 O\n0.967541 0.948586 0.250000 O\n0.948584 0.967543 0.750000 O\n0.442149 0.159792 0.891091 O\n0.721411 0.104296 0.986973 O\n0.808367 0.574288 0.250000 O\n0.574286 0.808368 0.750000 O\n0.159791 0.442149 0.108909 O\n0.104295 0.721412 0.486973 O\n0.104295 0.721412 0.013027 O\n0.101421 0.436070 0.613759 O\n0.436070 0.101422 0.386241 O\n0.442149 0.159792 0.608909 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Eu",
"C",
"O"
],
"chemical_system": "C-Eu-Na-O",
"density": 3.415707626383099,
"density_atomic": 0.08208248893052204,
"volume": 389.8517261956579,
"volume_molar": 7.336693658372597,
"formula_full": "Na6 Eu2 C6 O18",
"formula_reduced": "Na3Eu(CO3)3",
"formula_anonymous": "AB3C3D9",
"energy_above_hull": 2.92398990625,
"spacegroup": 40
},
{
"id": "jvasp-91244",
"created_at": "2022-09-04T14:36:12.005235Z",
"updated_at": "2022-09-04T14:36:12.005266Z",
"structure_string": "U4 F20\n1.0\n5.492859 -0.000000 1.763102\n2.746430 8.219682 0.881551\n0.234308 -0.000000 8.707943\nU F\n4 20\ndirect\n0.196534 0.178466 0.678465 U\n0.625000 0.321534 0.178466 U\n0.053466 0.821534 0.321534 U\n0.125000 0.678466 0.821534 U\n0.375228 0.888180 0.227656 F\n0.397115 0.227657 0.111820 F\n0.736593 0.772343 0.888179 F\n0.491066 0.111820 0.772343 F\n0.130951 0.445044 0.716743 F\n0.292738 0.554956 0.283257 F\n0.424006 0.283257 0.445043 F\n0.152307 0.716743 0.554956 F\n0.513408 0.611820 0.727656 F\n0.119049 0.783257 0.054956 F\n0.097694 0.945044 0.783257 F\n0.877476 0.997525 0.497524 F\n0.625000 0.497525 0.002475 F\n0.125000 0.502475 0.997524 F\n0.372525 0.002475 0.502475 F\n0.758935 0.727656 0.388180 F\n0.874773 0.272343 0.611819 F\n0.852885 0.388180 0.272343 F\n0.957263 0.216743 0.945043 F\n0.825995 0.054956 0.216743 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 5.675168418213154,
"density_atomic": 0.061575703617490186,
"volume": 389.7641210742568,
"volume_molar": 9.780060001278573,
"formula_full": "U4 F20",
"formula_reduced": "UF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3701029020833331,
"spacegroup": 122
},
{
"id": "jvasp-110341",
"created_at": "2022-09-04T14:38:39.723875Z",
"updated_at": "2022-09-04T14:38:39.723911Z",
"structure_string": "K3 Y1 Br6\n1.0\n7.100508 0.000000 4.099480\n2.366836 6.694423 4.099480\n0.000000 0.000000 8.198961\nK Y Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.761765 0.238235 0.238235 Br\n0.238236 0.238235 0.761765 Br\n0.238236 0.761764 0.761764 Br\n0.238236 0.761764 0.238235 Br\n0.761765 0.238235 0.761764 Br\n0.761765 0.761764 0.238235 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Y",
"Br"
],
"chemical_system": "Br-K-Y",
"density": 2.9212867690616426,
"density_atomic": 0.025658933884306807,
"volume": 389.7278057260233,
"volume_molar": 23.469957041680463,
"formula_full": "K3 Y1 Br6",
"formula_reduced": "K3YBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112212",
"created_at": "2022-09-04T14:38:44.407386Z",
"updated_at": "2022-09-04T14:38:44.407418Z",
"structure_string": "H26 C24\n1.0\n5.128674 0.064013 -0.567382\n-1.752537 7.348335 -1.191701\n0.039688 0.021514 10.301145\nH C\n26 24\ndirect\n0.488188 0.666319 0.148410 H\n0.234324 0.474517 0.905455 H\n0.493464 0.669454 0.917132 H\n0.506535 0.330544 0.082869 H\n0.890317 0.648646 0.870141 H\n0.109682 0.351353 0.129860 H\n0.107656 0.750106 0.018593 H\n0.892342 0.249892 0.981407 H\n0.352789 0.981350 0.901150 H\n0.647209 0.018648 0.098850 H\n0.009154 0.982795 0.883284 H\n0.990845 0.017203 0.116717 H\n0.190574 0.991072 0.669403 H\n0.765675 0.525481 0.094545 H\n0.938679 0.791464 0.657065 H\n0.809425 0.008926 0.330598 H\n0.226581 0.884089 0.235615 H\n0.773417 0.115909 0.764386 H\n0.163010 0.925726 0.470985 H\n0.836988 0.074273 0.529015 H\n0.511811 0.333679 0.851590 H\n0.079490 0.491184 0.673222 H\n0.458889 0.181194 0.291281 H\n0.541110 0.818805 0.708720 H\n0.061319 0.208534 0.342936 H\n0.920509 0.508815 0.326778 H\n0.095938 0.723055 0.909814 C\n0.715557 0.434976 0.282354 C\n0.904061 0.276943 0.090186 C\n0.152943 0.899812 0.855579 C\n0.847055 0.100187 0.144421 C\n0.142673 0.861598 0.704569 C\n0.857326 0.138401 0.295431 C\n0.337407 0.742632 0.662495 C\n0.662591 0.257366 0.337506 C\n0.284442 0.565023 0.717646 C\n0.654170 0.293603 0.486057 C\n0.555947 0.327143 0.750235 C\n0.740057 0.180890 0.568195 C\n0.259941 0.819108 0.431805 C\n0.700017 0.201958 0.700768 C\n0.299981 0.798040 0.299233 C\n0.444052 0.672855 0.249765 C\n0.468126 0.442779 0.671166 C\n0.531873 0.557219 0.328834 C\n0.534536 0.434506 0.540651 C\n0.465462 0.565493 0.459350 C\n0.711653 0.397206 0.131053 C\n0.345828 0.706395 0.513943 C\n0.288346 0.602794 0.868947 C\n",
"nsites": 50,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.3399759940964189,
"density_atomic": 0.1283063173657153,
"volume": 389.69242533462733,
"volume_molar": 4.693565276941832,
"formula_full": "H26 C24",
"formula_reduced": "H13C12",
"formula_anonymous": "A12B13",
"energy_above_hull": 5.4065868,
"spacegroup": 2
},
{
"id": "jvasp-112691",
"created_at": "2022-09-04T14:38:42.760518Z",
"updated_at": "2022-09-04T14:38:42.760543Z",
"structure_string": "Co2 Ni2 Sb12\n1.0\n6.506858 -0.000309 4.583124\n0.003665 6.506857 4.583124\n-0.000927 -0.000926 9.202690\nCo Ni Sb\n2 2 12\ndirect\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 -0.000001 Ni\n0.500000 -0.000000 -0.000000 Ni\n0.668938 0.668937 0.489942 Sb\n0.331063 0.331063 0.510057 Sb\n0.662760 0.662760 0.178012 Sb\n0.337240 0.337240 0.821987 Sb\n0.161782 0.843365 0.663244 Sb\n0.838218 0.156635 0.336755 Sb\n0.843365 0.161781 0.663244 Sb\n0.156635 0.838218 0.336755 Sb\n0.825089 0.493115 0.838007 Sb\n0.174912 0.506885 0.161992 Sb\n0.506885 0.174912 0.161992 Sb\n0.493116 0.825088 0.838007 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Sb"
],
"chemical_system": "Co-Ni-Sb",
"density": 7.2285556416106544,
"density_atomic": 0.041058304705053714,
"volume": 389.6897379211719,
"volume_molar": 14.667290340555043,
"formula_full": "Co2 Ni2 Sb12",
"formula_reduced": "CoNiSb6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.0191074875,
"spacegroup": 12
},
{
"id": "jvasp-11965",
"created_at": "2022-09-04T14:35:53.091318Z",
"updated_at": "2022-09-04T14:35:53.091335Z",
"structure_string": "Al20 Co8\n1.0\n7.695706 0.000000 -0.000000\n-3.847852 6.664676 -0.000000\n0.000000 -0.000000 7.597702\nAl Co\n20 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.194285 0.805716 0.560110 Al\n0.194284 0.388568 0.560110 Al\n0.611433 0.805716 0.560110 Al\n0.388568 0.194284 0.060110 Al\n0.805717 0.611432 0.439890 Al\n0.805717 0.194284 0.060110 Al\n0.194285 0.805716 0.939890 Al\n0.611433 0.805716 0.939890 Al\n0.388568 0.194284 0.439890 Al\n0.805717 0.611432 0.060110 Al\n0.194284 0.388568 0.939890 Al\n0.805717 0.194284 0.439890 Al\n0.468176 0.936352 0.250000 Al\n0.531825 0.468176 0.750000 Al\n0.936353 0.468176 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.468176 0.531825 0.250000 Al\n0.531825 0.063648 0.750000 Al\n0.063649 0.531825 0.250000 Al\n0.128617 0.871384 0.250000 Co\n0.333334 0.666667 0.750000 Co\n0.666668 0.333333 0.250000 Co\n0.128617 0.257233 0.250000 Co\n0.871384 0.128617 0.750000 Co\n0.257233 0.128617 0.750000 Co\n0.742768 0.871384 0.250000 Co\n0.871384 0.742767 0.750000 Co\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 4.308557246616491,
"density_atomic": 0.07185355610379734,
"volume": 389.6814788060329,
"volume_molar": 8.38113113191031,
"formula_full": "Al20 Co8",
"formula_reduced": "Al5Co2",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3789794000000004,
"spacegroup": 194
}
]
}