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=489",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=487",
"results": [
{
"id": "jvasp-57644",
"created_at": "2022-09-04T14:38:28.751662Z",
"updated_at": "2022-09-04T14:38:28.751683Z",
"structure_string": "Sm6 Se8\n1.0\n7.203697 0.000000 -2.546891\n-3.601849 6.238584 -2.546891\n-0.000000 0.000000 7.640674\nSm Se\n6 8\ndirect\n0.750000 0.874999 0.125000 Sm\n0.625000 0.375000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.125000 0.749999 0.874999 Sm\n0.375000 0.250000 0.625000 Sm\n0.250000 0.625000 0.375000 Sm\n0.646852 0.646851 0.646851 Se\n0.353148 0.500000 -0.000000 Se\n0.500000 0.000000 0.353148 Se\n-0.000000 0.353148 0.500000 Se\n0.500000 0.000000 0.853148 Se\n-0.000000 0.853148 0.500000 Se\n0.146852 0.146852 0.146852 Se\n0.853148 0.500000 0.000000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Se"
],
"chemical_system": "Se-Sm",
"density": 7.417473817729602,
"density_atomic": 0.04077133208234658,
"volume": 343.3785281217683,
"volume_molar": 14.770527359363621,
"formula_full": "Sm6 Se8",
"formula_reduced": "Sm3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.3802542988095237,
"spacegroup": 220
},
{
"id": "jvasp-10122",
"created_at": "2022-09-04T14:37:54.958779Z",
"updated_at": "2022-09-04T14:37:54.958808Z",
"structure_string": "Na8 P8\n1.0\n5.645392 0.000000 0.000000\n0.000000 6.032217 0.000000\n0.000000 0.000000 10.082607\nNa P\n8 8\ndirect\n0.343751 0.825765 0.717532 Na\n0.843751 0.674236 0.282469 Na\n0.656248 0.325765 0.782469 Na\n0.156249 0.174236 0.217532 Na\n0.615839 0.113738 0.419015 Na\n0.115839 0.386262 0.580986 Na\n0.384160 0.613738 0.080986 Na\n0.884160 0.886263 0.919015 Na\n0.116327 0.945656 0.465228 P\n0.616327 0.554344 0.534772 P\n0.883672 0.445656 0.034772 P\n0.383673 0.054344 0.965228 P\n0.847358 0.823598 0.618452 P\n0.347358 0.676403 0.381548 P\n0.152641 0.323597 0.881548 P\n0.652641 0.176403 0.118452 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"P"
],
"chemical_system": "Na-P",
"density": 2.0878319849510425,
"density_atomic": 0.046598944890066184,
"volume": 343.3554136847169,
"volume_molar": 12.92334144948372,
"formula_full": "Na8 P8",
"formula_reduced": "NaP",
"formula_anonymous": "AB",
"energy_above_hull": 0.5255122500000001,
"spacegroup": 19
},
{
"id": "jvasp-85374",
"created_at": "2022-09-04T14:36:21.841817Z",
"updated_at": "2022-09-04T14:36:21.841836Z",
"structure_string": "Te4 Pd6 Pb4\n1.0\n6.038574 -0.000000 0.000000\n-0.000000 6.530267 0.000000\n0.000000 0.000000 8.705158\nTe Pd Pb\n4 6 4\ndirect\n0.250000 0.672431 0.540631 Te\n0.750000 0.327570 0.040631 Te\n0.250000 0.672431 0.959369 Te\n0.750000 0.327570 0.459369 Te\n0.000000 0.000000 0.500000 Pd\n0.750000 0.203547 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.250000 0.796453 0.250000 Pd\n0.250000 0.250651 0.250000 Pb\n0.750000 0.749350 0.750000 Pb\n0.250000 0.201130 0.750000 Pb\n0.750000 0.798870 0.250000 Pb\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Te",
"density": 9.566914962609005,
"density_atomic": 0.04078364580889514,
"volume": 343.2748525132229,
"volume_molar": 14.76606772287763,
"formula_full": "Te4 Pd6 Pb4",
"formula_reduced": "Te2Pd3Pb2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.142219181904762,
"spacegroup": 59
},
{
"id": "jvasp-13048",
"created_at": "2022-09-04T14:38:14.531800Z",
"updated_at": "2022-09-04T14:38:14.531813Z",
"structure_string": "Tl4 Te6\n1.0\n6.608721 0.000000 0.000000\n-3.304361 6.421059 -1.928023\n0.000000 0.083078 8.064455\nTl Te\n4 6\ndirect\n0.545735 0.783365 0.552336 Tl\n0.762371 0.216635 0.947665 Tl\n0.454265 0.216635 0.447665 Tl\n0.237630 0.783365 0.052336 Tl\n0.324085 0.361641 0.078752 Te\n0.962445 0.638360 0.421249 Te\n0.675915 0.638360 0.921249 Te\n0.037555 0.361641 0.578752 Te\n0.860993 0.000000 0.250000 Te\n0.139007 0.000000 0.750000 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 7.658190059075021,
"density_atomic": 0.029131281258279552,
"volume": 343.27360720386605,
"volume_molar": 20.672419817746317,
"formula_full": "Tl4 Te6",
"formula_reduced": "Tl2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3379111959999998,
"spacegroup": 15
},
{
"id": "jvasp-97594",
"created_at": "2022-09-04T14:36:06.981690Z",
"updated_at": "2022-09-04T14:36:06.981714Z",
"structure_string": "Pr2 Co18 Si8\n1.0\n6.756101 -0.000000 -3.786674\n-2.122363 6.414084 -3.786674\n0.000141 0.000196 7.920633\nPr Co Si\n2 18 8\ndirect\n0.250000 0.250000 0.500000 Pr\n0.750000 0.750000 0.500001 Pr\n0.809205 0.050450 0.359655 Co\n0.199893 0.070819 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 -0.000000 0.000000 Co\n0.309205 0.809205 0.359655 Co\n0.550449 0.309205 0.359655 Co\n0.800107 0.929180 0.000001 Co\n0.429181 0.300107 0.000000 Co\n0.570819 0.699892 0.000000 Co\n0.300107 0.570819 0.000000 Co\n0.699893 0.429180 0.000000 Co\n0.070820 0.800107 0.000000 Co\n0.929181 0.199893 0.000000 Co\n0.050449 0.550449 0.359655 Co\n0.690795 0.190795 0.640346 Co\n0.949551 0.449551 0.640346 Co\n0.449551 0.690795 0.640346 Co\n0.190795 0.949551 0.640346 Co\n0.047507 0.209431 0.756938 Si\n0.209431 0.709431 0.756938 Si\n0.452493 0.952493 0.243063 Si\n0.290569 0.452493 0.243063 Si\n0.952493 0.790569 0.243063 Si\n0.709431 0.547507 0.756938 Si\n0.547507 0.047507 0.756938 Si\n0.790569 0.290569 0.243063 Si\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Si"
],
"chemical_system": "Co-Pr-Si",
"density": 7.582230955619014,
"density_atomic": 0.08157455121405524,
"volume": 343.2443033186509,
"volume_molar": 7.382376820189467,
"formula_full": "Pr2 Co18 Si8",
"formula_reduced": "PrCo9Si4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.8345051678571433,
"spacegroup": 140
},
{
"id": "jvasp-105599",
"created_at": "2022-09-04T14:36:31.638172Z",
"updated_at": "2022-09-04T14:36:31.638192Z",
"structure_string": "K2 Y1 Ag1 Br6\n1.0\n6.805918 -0.000000 3.929399\n2.268640 6.416681 3.929399\n-0.000000 -0.000000 7.858797\nK Y Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748462 0.251538 0.251538 Br\n0.251538 0.251538 0.748462 Br\n0.251538 0.748462 0.748462 Br\n0.251538 0.748462 0.251538 Br\n0.748462 0.251538 0.748462 Br\n0.748462 0.748462 0.251538 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Y",
"density": 3.650013452479779,
"density_atomic": 0.029137129742798317,
"volume": 343.20470438484597,
"volume_molar": 20.668270392997318,
"formula_full": "K2 Y1 Ag1 Br6",
"formula_reduced": "K2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10979",
"created_at": "2022-09-04T14:37:19.783478Z",
"updated_at": "2022-09-04T14:37:19.783499Z",
"structure_string": "Ag6 P2 S8\n1.0\n6.452646 0.000000 0.000000\n0.000000 6.974871 0.000000\n0.000000 0.000000 7.624750\nAg P S\n6 2 8\ndirect\n0.936179 0.789119 0.288045 Ag\n0.436179 0.210881 0.211955 Ag\n0.436179 0.210881 0.788045 Ag\n0.936179 0.789119 0.711955 Ag\n0.349468 0.658243 0.500000 Ag\n0.849468 0.341757 0.000000 Ag\n0.410343 0.699394 0.000000 P\n0.910343 0.300606 0.500000 P\n0.313954 0.853352 0.779707 S\n0.813955 0.146648 0.720293 S\n0.762529 0.565453 0.500000 S\n0.262529 0.434547 0.000000 S\n0.813955 0.146648 0.279707 S\n0.313954 0.853352 0.220293 S\n0.730298 0.690575 0.000000 S\n0.230298 0.309425 0.500000 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S",
"density": 4.672843464512751,
"density_atomic": 0.046625162070227745,
"volume": 343.16234602896355,
"volume_molar": 12.916074695739034,
"formula_full": "Ag6 P2 S8",
"formula_reduced": "Ag3PS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.39364966,
"spacegroup": 31
},
{
"id": "jvasp-32106",
"created_at": "2022-09-04T14:38:08.475243Z",
"updated_at": "2022-09-04T14:38:08.475268Z",
"structure_string": "Sb2 Te4 F12\n1.0\n5.440668 -0.027448 -0.022558\n-1.901556 7.282081 3.895261\n0.192086 -9.003222 3.859273\nSb Te F\n2 4 12\ndirect\n0.387183 0.833659 0.176463 Sb\n0.612817 0.166340 0.823536 Sb\n0.057150 0.323482 0.263503 Te\n0.162563 0.357563 0.552879 Te\n0.837437 0.642436 0.447120 Te\n0.942850 0.676518 0.736496 Te\n0.582490 0.073109 0.399390 F\n0.552547 0.357033 0.792826 F\n0.685792 0.826623 0.067332 F\n0.681226 0.974518 0.855810 F\n0.318774 0.025481 0.144189 F\n0.417510 0.926890 0.600609 F\n0.447453 0.642966 0.207173 F\n0.818794 0.389770 0.049340 F\n0.181206 0.610229 0.950660 F\n0.087798 0.854240 0.288227 F\n0.314208 0.173376 0.932667 F\n0.912202 0.145759 0.711772 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"Te",
"F"
],
"chemical_system": "F-Sb-Te",
"density": 4.751811296587262,
"density_atomic": 0.052458390593846216,
"volume": 343.12909329154184,
"volume_molar": 11.479842770293537,
"formula_full": "Sb2 Te4 F12",
"formula_reduced": "SbTe2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1262437031481481,
"spacegroup": 2
},
{
"id": "jvasp-22887",
"created_at": "2022-09-04T14:38:31.140513Z",
"updated_at": "2022-09-04T14:38:31.140532Z",
"structure_string": "Nd2 Co18 Si8\n1.0\n6.768844 0.000000 -3.792903\n-2.125342 6.426521 -3.792903\n-0.014229 -0.019693 7.910925\nNd Co Si\n2 18 8\ndirect\n0.250000 0.250000 0.500001 Nd\n0.750000 0.750000 0.500001 Nd\n0.808694 0.051100 0.359795 Co\n0.200964 0.071196 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 -0.000000 0.000000 Co\n0.308694 0.808694 0.359795 Co\n0.551100 0.308695 0.359795 Co\n0.799035 0.928804 0.000000 Co\n0.428804 0.299035 0.000000 Co\n0.571196 0.700964 0.000000 Co\n0.299035 0.571196 0.000000 Co\n0.700964 0.428804 0.000000 Co\n0.071196 0.799035 0.000000 Co\n0.928803 0.200964 0.000000 Co\n0.051100 0.551100 0.359795 Co\n0.691305 0.191306 0.640206 Co\n0.948900 0.448900 0.640206 Co\n0.448900 0.691306 0.640206 Co\n0.191306 0.948900 0.640206 Co\n0.049597 0.209172 0.758770 Si\n0.209172 0.709172 0.758770 Si\n0.450402 0.950402 0.241231 Si\n0.290828 0.450402 0.241231 Si\n0.950402 0.790828 0.241231 Si\n0.709172 0.549598 0.758770 Si\n0.549597 0.049597 0.758770 Si\n0.790828 0.290828 0.241231 Si\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Si"
],
"chemical_system": "Co-Nd-Si",
"density": 7.617362198185532,
"density_atomic": 0.08160529305438281,
"volume": 343.1149984516377,
"volume_molar": 7.3795957769390865,
"formula_full": "Nd2 Co18 Si8",
"formula_reduced": "NdCo9Si4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.8304524285714288,
"spacegroup": 140
},
{
"id": "jvasp-22374",
"created_at": "2022-09-04T14:37:57.196013Z",
"updated_at": "2022-09-04T14:37:57.196033Z",
"structure_string": "Sr4 Ga4 Sn4\n1.0\n2.301771 -3.986786 -0.000000\n2.301771 3.986786 -0.000000\n-0.000000 0.000000 18.693958\nSr Ga Sn\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.250000 Sr\n0.666667 0.333333 0.161793 Ga\n0.333333 0.666667 0.661793 Ga\n0.666667 0.333333 0.338208 Ga\n0.333333 0.666667 0.838208 Ga\n0.333333 0.666667 0.385336 Sn\n0.666667 0.333333 0.885336 Sn\n0.666667 0.333333 0.614664 Sn\n0.333333 0.666667 0.114664 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Sn"
],
"chemical_system": "Ga-Sn-Sr",
"density": 5.344231506876646,
"density_atomic": 0.03497558193487491,
"volume": 343.09650722450283,
"volume_molar": 17.21812883975261,
"formula_full": "Sr4 Ga4 Sn4",
"formula_reduced": "SrGaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-25001",
"created_at": "2022-09-04T14:37:42.641870Z",
"updated_at": "2022-09-04T14:37:42.641893Z",
"structure_string": "Pr2 Ta6 O18\n1.0\n0.000000 5.460343 -0.004007\n7.609638 0.000000 0.000000\n0.000000 -0.349160 -8.256637\nPr Ta O\n2 6 18\ndirect\n0.966824 0.250000 0.565115 Pr\n0.033175 0.750000 0.434886 Pr\n0.526209 0.492789 0.300248 Ta\n0.526209 0.007211 0.300248 Ta\n0.473791 0.992789 0.699752 Ta\n0.000000 0.000000 0.000000 Ta\n0.473791 0.507211 0.699752 Ta\n0.000000 0.500000 0.000000 Ta\n0.267423 0.462034 0.466627 O\n0.732576 0.962034 0.533374 O\n0.317989 0.450029 0.120716 O\n0.557935 0.250000 0.689732 O\n0.846582 0.555430 0.213445 O\n0.442064 0.750000 0.310268 O\n0.846582 0.944571 0.213445 O\n0.087083 0.750000 0.984348 O\n0.267423 0.037966 0.466627 O\n0.682010 0.549971 0.879284 O\n0.153418 0.444571 0.786556 O\n0.647545 0.250000 0.338278 O\n0.352455 0.750000 0.661723 O\n0.153418 0.055430 0.786556 O\n0.317989 0.049971 0.120716 O\n0.682010 0.950029 0.879284 O\n0.732576 0.537966 0.533374 O\n0.912916 0.250000 0.015653 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Ta",
"density": 8.012638248123402,
"density_atomic": 0.07578316822277968,
"volume": 343.08409914412437,
"volume_molar": 7.946541298321972,
"formula_full": "Pr2 Ta6 O18",
"formula_reduced": "PrTa3O9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.865162226923077,
"spacegroup": 11
},
{
"id": "jvasp-32416",
"created_at": "2022-09-04T14:38:02.971640Z",
"updated_at": "2022-09-04T14:38:02.971659Z",
"structure_string": "H20 C6 N2 Cl2 O8\n1.0\n5.418339 -0.096890 0.000000\n-1.682744 7.404524 0.000000\n0.000000 0.000000 8.585027\nH C N Cl O\n20 6 2 2 8\ndirect\n0.947020 0.733653 0.496581 H\n0.141002 0.613903 0.388518 H\n0.052798 0.266291 0.505312 H\n0.293266 0.081602 0.855806 H\n0.770026 0.142641 0.900306 H\n0.052981 0.266347 0.996581 H\n0.769914 0.142622 0.601678 H\n0.230087 0.857377 0.101677 H\n0.706728 0.918396 0.146081 H\n0.293273 0.081604 0.646081 H\n0.858918 0.386078 0.613423 H\n0.141083 0.613921 0.113423 H\n0.238525 0.359438 0.750928 H\n0.858999 0.386096 0.888518 H\n0.706735 0.918398 0.355806 H\n0.761476 0.640562 0.250928 H\n0.984090 0.036367 0.250942 H\n0.015911 0.963632 0.750942 H\n0.229974 0.857358 0.400306 H\n0.947202 0.733709 0.005312 H\n0.070441 0.737387 0.394997 C\n0.821994 0.918277 0.250943 C\n0.929560 0.262612 0.894997 C\n0.929459 0.262589 0.606934 C\n0.178007 0.081722 0.750944 C\n0.070542 0.737411 0.106934 C\n0.079875 0.249911 0.750946 N\n0.920126 0.750089 0.250946 N\n0.476163 0.703747 0.750921 Cl\n0.523838 0.296252 0.250921 Cl\n0.580022 0.805498 0.612541 O\n0.200186 0.669949 0.750929 O\n0.419979 0.194502 0.112541 O\n0.419964 0.194493 0.389291 O\n0.799814 0.330051 0.250929 O\n0.545797 0.527745 0.750923 O\n0.580037 0.805506 0.889291 O\n0.454204 0.472254 0.250923 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O",
"density": 1.5448651480692648,
"density_atomic": 0.11077636243552737,
"volume": 343.03346999786413,
"volume_molar": 5.436304846627301,
"formula_full": "H20 C6 N2 Cl2 O8",
"formula_reduced": "H10C3NClO4",
"formula_anonymous": "ABC3D4E10",
"energy_above_hull": 3.8872827009210527,
"spacegroup": 11
}
]
}