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=4434",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4432",
"results": [
{
"id": "jvasp-117088",
"created_at": "2022-09-04T14:38:46.531452Z",
"updated_at": "2022-09-04T14:38:46.531474Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n6.045864 0.000039 0.000117\n-0.000181 6.761349 -3.412003\n-0.000034 0.043316 8.490025\nLi Mn P O\n4 4 4 16\ndirect\n0.766607 0.259315 0.518604 Li\n0.266597 0.259369 0.518609 Li\n0.266597 0.740636 0.481398 Li\n0.766607 0.740683 0.481393 Li\n0.016605 0.315102 0.199959 Mn\n0.016581 0.684899 0.800043 Mn\n0.516610 0.115143 0.799979 Mn\n0.516591 0.884858 0.200023 Mn\n0.016649 0.917691 0.253545 P\n0.516651 0.335820 0.253502 P\n0.516641 0.664180 0.746500 P\n0.016657 0.082310 0.746456 P\n0.016604 0.150807 0.346868 O\n0.516600 0.196035 0.346844 O\n0.228781 0.847192 0.312675 O\n0.728802 0.465428 0.312633 O\n0.728780 0.534565 0.687360 O\n0.228801 0.152806 0.687330 O\n0.804464 0.847140 0.312570 O\n0.516774 0.211137 0.054962 O\n0.304447 0.534624 0.687465 O\n0.804484 0.152861 0.687425 O\n0.016796 0.843880 0.055006 O\n0.516789 0.788866 0.945041 O\n0.016600 0.849194 0.653134 O\n0.016784 0.156124 0.944995 O\n0.304469 0.465384 0.312547 O\n0.516600 0.803966 0.653157 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.994176036845289,
"density_atomic": 0.08047122690751302,
"volume": 347.95045479026794,
"volume_molar": 7.483595058046465,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5492509630541877,
"spacegroup": 66
},
{
"id": "jvasp-112422",
"created_at": "2022-09-04T14:38:40.187866Z",
"updated_at": "2022-09-04T14:38:40.187893Z",
"structure_string": "Rb12 Mn4 O12\n1.0\n6.879764 0.031884 -0.003277\n-1.045493 6.956709 -0.003852\n0.005755 0.007495 11.822235\nRb Mn O\n12 4 12\ndirect\n0.009521 0.069616 0.275612 Rb\n0.990478 0.930384 0.724388 Rb\n0.009504 0.569615 0.224395 Rb\n0.990492 0.430384 0.775604 Rb\n0.527445 0.503680 0.707821 Rb\n0.527432 0.003675 0.792183 Rb\n0.472552 0.496321 0.292179 Rb\n0.472568 0.996326 0.207817 Rb\n0.339751 0.645161 0.987477 Rb\n0.339756 0.145165 0.512527 Rb\n0.660245 0.854838 0.487472 Rb\n0.660246 0.354837 0.012523 Rb\n0.841927 0.342432 0.496667 Mn\n0.158078 0.157563 0.996669 Mn\n0.158077 0.657567 0.503333 Mn\n0.841919 0.842433 0.003328 Mn\n0.271869 0.801513 0.383148 O\n0.728143 0.698493 0.883147 O\n0.728133 0.198492 0.616851 O\n0.271855 0.301506 0.116854 O\n0.899342 0.091359 0.927326 O\n0.100659 0.408641 0.427330 O\n0.899343 0.591366 0.572671 O\n0.100656 0.908639 0.072674 O\n0.299717 0.774697 0.624348 O\n0.700283 0.225305 0.375649 O\n0.700274 0.725289 0.124346 O\n0.299723 0.274708 0.875655 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.215359394027284,
"density_atomic": 0.04945138002659101,
"volume": 566.2127120606914,
"volume_molar": 12.177902329038691,
"formula_full": "Rb12 Mn4 O12",
"formula_reduced": "Rb3MnO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.178668248768473,
"spacegroup": 14
},
{
"id": "jvasp-111910",
"created_at": "2022-09-04T14:38:48.413470Z",
"updated_at": "2022-09-04T14:38:48.413481Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.520159235693993,
"density_atomic": 0.08593246746485353,
"volume": 325.837262981562,
"volume_molar": 7.0079923661717975,
"formula_full": "Ti4 Mn8 O16",
"formula_reduced": "TiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.259430973727422,
"spacegroup": 95
},
{
"id": "jvasp-46733",
"created_at": "2022-09-04T14:38:31.757316Z",
"updated_at": "2022-09-04T14:38:31.757344Z",
"structure_string": "Li4 Mn1 Co3 P4 O16\n1.0\n0.000000 4.712473 -0.009603\n5.950077 0.000000 0.000000\n0.000000 0.013635 -10.254048\nLi Mn Co P O\n4 1 3 4 16\ndirect\n0.996432 0.250697 0.996317 Li\n0.996432 0.749304 0.996317 Li\n0.502465 0.747917 0.503364 Li\n0.502465 0.252084 0.503364 Li\n0.018688 0.000000 0.279389 Mn\n0.979767 0.500000 0.723134 Co\n0.519900 0.500000 0.219645 Co\n0.477071 0.000000 0.778173 Co\n0.085854 0.500000 0.408044 P\n0.419065 0.500000 0.905294 P\n0.576005 0.000000 0.089333 P\n0.920368 0.000000 0.597846 P\n0.225577 0.705339 0.336382 O\n0.245278 0.000000 0.597299 O\n0.251208 0.000000 0.090899 O\n0.283402 0.293386 0.832625 O\n0.283402 0.706615 0.832625 O\n0.289419 0.500000 0.044664 O\n0.707033 0.000000 0.950316 O\n0.784486 0.207288 0.669644 O\n0.709929 0.207072 0.161881 O\n0.744037 0.500000 0.904207 O\n0.760912 0.500000 0.404400 O\n0.784486 0.792712 0.669644 O\n0.225577 0.294661 0.336382 O\n0.791965 0.000000 0.458534 O\n0.709929 0.792928 0.161881 O\n0.208830 0.500000 0.548396 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-Mn-O-P",
"density": 3.692728023573646,
"density_atomic": 0.09738507457186667,
"volume": 287.51839153069614,
"volume_molar": 6.183843660309443,
"formula_full": "Li4 Mn1 Co3 P4 O16",
"formula_reduced": "Li4MnCo3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.0142374264778327,
"spacegroup": 6
},
{
"id": "jvasp-117165",
"created_at": "2022-09-04T14:38:46.512230Z",
"updated_at": "2022-09-04T14:38:46.512256Z",
"structure_string": "Ba4 Dy8 Se16\n1.0\n4.197456 -0.000000 0.000000\n0.000000 12.798715 0.000000\n0.000000 -0.000000 15.166226\nBa Dy Se\n4 8 16\ndirect\n0.250000 0.759375 0.334941 Ba\n0.250000 0.259375 0.165059 Ba\n0.750001 0.240625 0.665059 Ba\n0.750001 0.740625 0.834941 Ba\n0.750001 0.079093 0.400336 Dy\n0.750001 0.579093 0.099664 Dy\n0.250000 0.420906 0.900336 Dy\n0.250000 0.920906 0.599664 Dy\n0.750001 0.564820 0.608348 Dy\n0.250000 0.935179 0.108348 Dy\n0.250000 0.435179 0.391653 Dy\n0.750001 0.064820 0.891653 Dy\n0.250000 0.523963 0.216903 Se\n0.250000 0.914606 0.922675 Se\n0.250000 0.414606 0.577325 Se\n0.750001 0.976036 0.716903 Se\n0.750001 0.476036 0.783097 Se\n0.250000 0.023964 0.283097 Se\n0.750001 0.373319 0.025136 Se\n0.250000 0.706609 0.662526 Se\n0.250000 0.626680 0.974864 Se\n0.250000 0.126680 0.525136 Se\n0.750001 0.293391 0.337474 Se\n0.750001 0.793391 0.162526 Se\n0.750001 0.585393 0.422675 Se\n0.250000 0.206609 0.837474 Se\n0.750001 0.873319 0.474864 Se\n0.750001 0.085394 0.077325 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Dy",
"Se"
],
"chemical_system": "Ba-Dy-Se",
"density": 6.343834644449441,
"density_atomic": 0.03436592099146966,
"volume": 814.7606463667942,
"volume_molar": 17.52358320760506,
"formula_full": "Ba4 Dy8 Se16",
"formula_reduced": "Ba(DySe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0278874909523807,
"spacegroup": 62
},
{
"id": "jvasp-117222",
"created_at": "2022-09-04T14:38:48.730813Z",
"updated_at": "2022-09-04T14:38:48.730840Z",
"structure_string": "Cr8 Co3 Ni1 S16\n1.0\n6.887475 -0.000000 0.000000\n-3.443738 5.616626 2.007859\n-0.000000 -0.042118 11.930733\nCr Co Ni S\n8 3 1 16\ndirect\n0.999636 0.499272 0.001093 Cr\n0.500173 0.500347 0.499481 Cr\n0.750770 0.001538 0.249208 Cr\n0.249904 -0.000192 0.750595 Cr\n0.750770 0.500023 0.249208 Cr\n0.249904 0.499501 0.750595 Cr\n0.249254 0.500023 0.249208 Cr\n0.749598 0.499501 0.750595 Cr\n0.687455 0.874911 0.937634 Co\n0.187528 0.875055 0.437417 Co\n0.812493 0.124985 0.562523 Co\n0.312490 0.124980 0.062531 Ni\n0.883097 0.744460 0.872443 S\n0.383233 0.744697 0.372069 S\n0.883097 0.266192 0.872443 S\n0.383233 0.266467 0.372069 S\n0.122321 0.744643 0.633037 S\n0.622211 0.744422 0.133368 S\n0.139316 0.255716 0.627885 S\n0.377780 0.255561 0.866659 S\n0.616399 0.255716 0.627885 S\n0.116698 0.255587 0.127716 S\n0.616399 0.732799 0.627885 S\n0.116698 0.733394 0.127716 S\n0.861464 0.744697 0.372069 S\n0.877832 0.255663 0.366506 S\n0.638890 0.255587 0.127716 S\n0.361364 0.744460 0.872443 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cr",
"Co",
"Ni",
"S"
],
"chemical_system": "Co-Cr-Ni-S",
"density": 4.184454550230225,
"density_atomic": 0.06059093166546616,
"volume": 462.11535671036097,
"volume_molar": 9.93901330524073,
"formula_full": "Cr8 Co3 Ni1 S16",
"formula_reduced": "Cr8Co3NiS16",
"formula_anonymous": "AB3C8D16",
"energy_above_hull": 3.619634796428572,
"spacegroup": 160
},
{
"id": "jvasp-113048",
"created_at": "2022-09-04T14:38:45.711306Z",
"updated_at": "2022-09-04T14:38:45.711326Z",
"structure_string": "Zr14 V10 N4\n1.0\n7.511112 -0.014177 -4.306427\n-2.497962 7.064285 -4.338016\n-0.007352 0.014177 8.658063\nZr V N\n14 10 4\ndirect\n0.189910 0.939909 0.249999 Zr\n0.500000 0.499999 -0.000001 Zr\n0.811135 0.690441 0.753965 Zr\n0.436475 0.057168 0.746033 Zr\n0.436475 0.690441 0.379306 Zr\n0.811135 0.057168 0.120693 Zr\n0.439080 0.689079 0.749999 Zr\n0.000000 0.500000 0.500000 Zr\n0.188865 0.309558 0.246033 Zr\n0.563525 0.942831 0.253965 Zr\n0.563525 0.309558 0.620693 Zr\n0.188865 0.942831 0.879306 Zr\n0.560920 0.310920 0.249999 Zr\n0.810090 0.060090 0.749999 Zr\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 -0.000000 V\n0.189980 0.608751 0.918770 V\n0.189980 0.271210 0.581229 V\n0.190257 0.287648 0.902607 V\n0.810020 0.391249 0.081228 V\n0.810020 0.728789 0.418770 V\n0.809743 0.712351 0.097391 V\n0.114960 0.712352 0.402607 V\n0.885040 0.287648 0.597391 V\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.499999 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"V",
"N"
],
"chemical_system": "N-V-Zr",
"density": 6.658901786784773,
"density_atomic": 0.06093765097272741,
"volume": 459.4860411099761,
"volume_molar": 9.882462917212226,
"formula_full": "Zr14 V10 N4",
"formula_reduced": "Zr7V5N2",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 5.459729928571429,
"spacegroup": 74
},
{
"id": "jvasp-117012",
"created_at": "2022-09-04T14:38:46.042838Z",
"updated_at": "2022-09-04T14:38:46.042850Z",
"structure_string": "Na2 Cd2 Rh8 O16\n1.0\n3.087859 -0.000000 0.000000\n0.000000 9.101029 0.065857\n-0.000000 -0.013475 10.890796\nNa Cd Rh O\n2 2 8 16\ndirect\n0.250000 0.734946 0.842160 Na\n0.750000 0.265055 0.157841 Na\n0.250000 0.236507 0.660922 Cd\n0.750000 0.763494 0.339079 Cd\n0.750000 0.410426 0.901557 Rh\n0.750000 0.908213 0.601326 Rh\n0.250000 0.091788 0.398674 Rh\n0.250000 0.589575 0.098444 Rh\n0.750000 0.949297 0.115704 Rh\n0.250000 0.557336 0.617809 Rh\n0.250000 0.050703 0.884297 Rh\n0.750000 0.442665 0.382191 Rh\n0.250000 0.385501 0.024529 O\n0.250000 0.804465 0.163297 O\n0.250000 0.305652 0.336205 O\n0.750000 0.116797 0.526987 O\n0.750000 0.614499 0.975472 O\n0.250000 0.883204 0.473014 O\n0.750000 0.548484 0.214340 O\n0.250000 0.586216 0.430520 O\n0.250000 0.451517 0.785660 O\n0.250000 0.968522 0.708928 O\n0.750000 0.413785 0.569481 O\n0.750000 0.914720 0.931456 O\n0.750000 0.694348 0.663796 O\n0.250000 0.085281 0.068545 O\n0.750000 0.031478 0.291073 O\n0.750000 0.195536 0.836703 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Rh",
"O"
],
"chemical_system": "Cd-Na-O-Rh",
"density": 7.324583873322987,
"density_atomic": 0.0914842981413032,
"volume": 306.06345098425805,
"volume_molar": 6.582704226137724,
"formula_full": "Na2 Cd2 Rh8 O16",
"formula_reduced": "NaCd(RhO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.416032053571428,
"spacegroup": 11
},
{
"id": "jvasp-112970",
"created_at": "2022-09-04T14:38:46.030627Z",
"updated_at": "2022-09-04T14:38:46.030654Z",
"structure_string": "Ba4 Ge4 Pb4 O16\n1.0\n6.265355 -0.000000 0.000000\n0.000000 7.647312 0.000000\n-0.000000 -0.000000 10.313548\nBa Ge Pb O\n4 4 4 16\ndirect\n0.475465 0.750153 0.788909 Ba\n0.975465 0.749847 0.211091 Ba\n0.024535 0.249847 0.288909 Ba\n0.524536 0.250153 0.711091 Ba\n0.518635 0.960169 0.089339 Ge\n0.018635 0.539831 0.910661 Ge\n0.981366 0.039831 0.589339 Ge\n0.481366 0.460169 0.410661 Ge\n0.565714 0.443016 0.091020 Pb\n0.065714 0.056983 0.908980 Pb\n0.934287 0.556983 0.591020 Pb\n0.434287 0.943016 0.408980 Pb\n0.798346 0.514919 0.801196 O\n0.298345 0.985081 0.198804 O\n0.410803 0.237870 0.447529 O\n0.910803 0.262130 0.552472 O\n0.089198 0.762130 0.947529 O\n0.589198 0.737869 0.052471 O\n0.256156 0.552630 0.334603 O\n0.937466 0.442197 0.060619 O\n0.243844 0.447370 0.834603 O\n0.743845 0.052630 0.165397 O\n0.562535 0.557803 0.560620 O\n0.062535 0.942197 0.439381 O\n0.201655 0.014919 0.698804 O\n0.437465 0.057803 0.939381 O\n0.756157 0.947369 0.665397 O\n0.701655 0.485081 0.301196 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Ge",
"Pb",
"O"
],
"chemical_system": "Ba-Ge-O-Pb",
"density": 6.467555587669123,
"density_atomic": 0.056662462481382535,
"volume": 494.15430911072565,
"volume_molar": 10.628095737947644,
"formula_full": "Ba4 Ge4 Pb4 O16",
"formula_reduced": "BaGePbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.3992852485714282,
"spacegroup": 19
},
{
"id": "jvasp-116568",
"created_at": "2022-09-04T14:38:32.311057Z",
"updated_at": "2022-09-04T14:38:32.311084Z",
"structure_string": "Mn24 C4\n1.0\n6.371872 -0.000000 3.678802\n2.123957 6.007459 3.678802\n-0.000000 -0.000000 7.357604\nMn C\n24 4\ndirect\n0.625000 0.625000 0.124999 Mn\n0.801241 0.198759 0.198759 Mn\n0.198759 0.801241 0.198759 Mn\n0.801241 0.801241 0.198759 Mn\n0.198759 0.801241 0.801240 Mn\n0.801241 0.198759 0.801240 Mn\n0.198759 0.198759 0.801240 Mn\n0.448759 0.051241 0.051241 Mn\n0.051241 0.448759 0.051241 Mn\n0.448759 0.448759 0.051240 Mn\n0.051241 0.448759 0.448759 Mn\n0.051241 0.051241 0.448759 Mn\n0.448759 0.051241 0.448759 Mn\n0.494089 0.835303 0.835302 Mn\n0.835303 0.494089 0.835302 Mn\n0.835303 0.835303 0.494089 Mn\n0.414697 0.414697 0.414696 Mn\n0.755910 0.414697 0.414696 Mn\n0.414697 0.755911 0.414696 Mn\n0.414697 0.414697 0.755910 Mn\n0.625000 0.625000 0.624999 Mn\n0.125000 0.625000 0.624999 Mn\n0.625000 0.125000 0.624999 Mn\n0.835303 0.835303 0.835302 Mn\n0.625000 0.125000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.125000 C\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mn",
"C"
],
"chemical_system": "C-Mn",
"density": 8.057164389215808,
"density_atomic": 0.09941771182180852,
"volume": 281.6399561698407,
"volume_molar": 6.057412356053611,
"formula_full": "Mn24 C4",
"formula_reduced": "Mn6C",
"formula_anonymous": "AB6",
"energy_above_hull": 5.13492906403941,
"spacegroup": 227
},
{
"id": "jvasp-112387",
"created_at": "2022-09-04T14:38:40.202107Z",
"updated_at": "2022-09-04T14:38:40.202135Z",
"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n3.455736 -0.000000 0.000000\n0.000000 11.201095 0.000000\n0.000000 -0.000000 12.860619\nTi Cr Ag S\n4 4 4 16\ndirect\n-0.000000 0.800454 0.115571 Ti\n0.500001 0.199546 0.615571 Ti\n-0.000000 0.822768 0.588812 Ti\n0.500001 0.177232 0.088812 Ti\n0.500001 0.691685 0.888725 Cr\n-0.000000 0.308315 0.388725 Cr\n0.500001 0.663112 0.409293 Cr\n-0.000000 0.336887 0.909293 Cr\n0.500001 0.005082 0.818312 Ag\n-0.000000 0.498645 0.187008 Ag\n0.000000 -0.005082 0.318312 Ag\n0.500001 0.501354 0.687008 Ag\n0.500001 0.950965 0.146080 S\n-0.000000 0.548131 0.848706 S\n-0.000000 0.130308 0.962210 S\n0.500001 0.377466 0.032353 S\n0.500001 0.869691 0.462210 S\n-0.000000 0.622533 0.532353 S\n0.500001 0.164856 0.428742 S\n0.500001 0.784895 0.714826 S\n-0.000000 0.835144 0.928742 S\n0.500001 0.656138 0.069157 S\n-0.000000 0.215104 0.214826 S\n0.500001 0.285275 0.790205 S\n0.500001 0.451869 0.348706 S\n-0.000000 0.714724 0.290205 S\n-0.000000 0.343861 0.569157 S\n-0.000000 0.049035 0.646080 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.483056483339446,
"density_atomic": 0.056246450520955074,
"volume": 497.8091904584872,
"volume_molar": 10.706703630580925,
"formula_full": "Ti4 Cr4 Ag4 S16",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.474213284761906,
"spacegroup": 31
},
{
"id": "jvasp-116797",
"created_at": "2022-09-04T14:38:45.701427Z",
"updated_at": "2022-09-04T14:38:45.701456Z",
"structure_string": "K4 V4 Pb4 O16\n1.0\n5.788195 -0.000000 0.000000\n0.000000 7.690878 0.000000\n-0.000000 -0.000000 10.102398\nK V Pb O\n4 4 4 16\ndirect\n0.250000 0.177323 0.906782 K\n0.749999 0.822677 0.093218 K\n0.250000 0.677324 0.593218 K\n0.749999 0.322677 0.406782 K\n0.749999 0.252864 0.077840 V\n0.250000 0.747137 0.922160 V\n0.749999 0.752864 0.422160 V\n0.250000 0.247137 0.577840 V\n0.250000 0.005467 0.289101 Pb\n0.749999 0.994533 0.710899 Pb\n0.250000 0.505467 0.210899 Pb\n0.749999 0.494533 0.789101 Pb\n0.505036 0.159750 0.146101 O\n0.005036 0.840250 0.853899 O\n0.005036 0.340250 0.646101 O\n0.505036 0.659750 0.353899 O\n0.494963 0.840250 0.853899 O\n0.994963 0.159750 0.146101 O\n0.250000 0.284638 0.405938 O\n0.749999 0.471715 0.105572 O\n0.250000 0.784638 0.094062 O\n0.749999 0.215362 0.905938 O\n0.749999 0.971715 0.394428 O\n0.250000 0.028285 0.605572 O\n0.494963 0.340250 0.646101 O\n0.250000 0.528285 0.894428 O\n0.749999 0.715362 0.594062 O\n0.994963 0.659750 0.353899 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"V",
"Pb",
"O"
],
"chemical_system": "K-O-Pb-V",
"density": 5.335292651997351,
"density_atomic": 0.062260769095496764,
"volume": 449.72139610182234,
"volume_molar": 9.672448393246032,
"formula_full": "K4 V4 Pb4 O16",
"formula_reduced": "KVPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.85275386,
"spacegroup": 62
}
]
}