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=created_at&page=1171",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1169",
"results": [
{
"id": "jvasp-86936",
"created_at": "2022-09-04T14:36:19.737164Z",
"updated_at": "2022-09-04T14:36:19.737188Z",
"structure_string": "K2 La2 Ti3 O10\n1.0\n3.867973 -0.000000 -0.498613\n-0.064275 3.867439 -0.498613\n-0.013555 -0.013782 15.147000\nK La Ti O\n2 2 3 10\ndirect\n0.707970 0.707972 0.415942 K\n0.292029 0.292029 0.584059 K\n0.571784 0.571785 0.143570 La\n0.428215 0.428215 0.856430 La\n0.000000 0.000000 0.000000 Ti\n0.859048 0.859050 0.718099 Ti\n0.140951 0.140951 0.281901 Ti\n0.064704 0.064704 0.129408 O\n0.799840 0.799842 0.599683 O\n0.935295 0.935297 0.870593 O\n0.627390 0.127390 0.254780 O\n0.127389 0.627390 0.254780 O\n0.372610 0.872611 0.745220 O\n0.872610 0.372610 0.745220 O\n0.200159 0.200159 0.400318 O\n0.500000 0.000000 0.000000 O\n-0.000001 0.500000 0.000000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"K",
"La",
"Ti",
"O"
],
"chemical_system": "K-La-O-Ti",
"density": 4.835036863551324,
"density_atomic": 0.07504422798260814,
"volume": 226.53307865249585,
"volume_molar": 8.024788743773417,
"formula_full": "K2 La2 Ti3 O10",
"formula_reduced": "K2La2Ti3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.5705144705882352,
"spacegroup": 139
},
{
"id": "jvasp-63520",
"created_at": "2022-09-04T14:36:19.737760Z",
"updated_at": "2022-09-04T14:36:19.737777Z",
"structure_string": "Te2 Au1\n1.0\n2.109044 -3.652972 -0.000000\n2.109044 3.652972 -0.000000\n0.000000 -0.000000 5.213892\nTe Au\n2 1\ndirect\n0.333332 0.666666 0.288915 Te\n0.666666 0.333332 0.711085 Te\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Au"
],
"chemical_system": "Au-Te",
"density": 9.34595179562793,
"density_atomic": 0.03734197160575325,
"volume": 80.33855393799809,
"volume_molar": 16.127002675649226,
"formula_full": "Te2 Au1",
"formula_reduced": "Te2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6451343677777779,
"spacegroup": 164
},
{
"id": "jvasp-71865",
"created_at": "2022-09-04T14:36:19.739874Z",
"updated_at": "2022-09-04T14:36:19.739901Z",
"structure_string": "Be2 Hg1 W1\n1.0\n2.745922 -0.000000 0.000000\n-0.000000 2.745922 -0.000000\n0.000000 -0.000000 7.484819\nBe Hg W\n2 1 1\ndirect\n0.000000 0.000000 0.727989 Be\n0.000000 0.000000 0.272011 Be\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"W"
],
"chemical_system": "Be-Hg-W",
"density": 11.841536082873779,
"density_atomic": 0.07087650527285982,
"volume": 56.4361911553177,
"volume_molar": 8.496667177389757,
"formula_full": "Be2 Hg1 W1",
"formula_reduced": "Be2HgW",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5934692000000004,
"spacegroup": 123
},
{
"id": "jvasp-48001",
"created_at": "2022-09-04T14:36:19.740870Z",
"updated_at": "2022-09-04T14:36:19.740886Z",
"structure_string": "Li4 Mn2 F8\n1.0\n3.251595 0.000000 0.000000\n0.000000 8.605237 0.000000\n0.000000 0.000000 8.616459\nLi Mn F\n4 2 8\ndirect\n0.000000 0.258206 0.988361 Li\n0.000000 0.234573 0.487986 Li\n0.000000 0.758206 0.011639 Li\n0.000000 0.734573 0.512014 Li\n0.499999 0.996211 0.249973 Mn\n0.499999 0.496210 0.750027 Mn\n0.000000 0.110344 0.136082 F\n0.499999 0.169634 0.423026 F\n0.499999 0.323073 0.923347 F\n0.000000 0.382110 0.636064 F\n0.000000 0.610344 0.863918 F\n0.499999 0.669635 0.576974 F\n0.499999 0.823073 0.076653 F\n0.000000 0.882110 0.363936 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 1.9948052737667397,
"density_atomic": 0.05806840897361515,
"volume": 241.09494727780907,
"volume_molar": 10.37076935022675,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4318111959113299,
"spacegroup": 127
},
{
"id": "jvasp-93177",
"created_at": "2022-09-04T14:36:19.741391Z",
"updated_at": "2022-09-04T14:36:19.741416Z",
"structure_string": "K1 Mg6 Bi1\n1.0\n7.534954 -0.571037 0.000000\n-4.262009 6.239942 0.000000\n0.000000 0.000000 5.063686\nK Mg Bi\n1 6 1\ndirect\n0.203209 0.296791 0.250000 K\n0.160079 0.792156 0.250000 Mg\n0.707843 0.339920 0.250000 Mg\n0.631169 0.868829 0.250000 Mg\n0.312145 0.676719 0.750001 Mg\n0.823280 0.187854 0.750001 Mg\n0.788166 0.711832 0.750001 Mg\n0.374108 0.125892 0.750001 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Bi"
],
"chemical_system": "Bi-K-Mg",
"density": 2.8973418472671693,
"density_atomic": 0.035436029597947026,
"volume": 225.75892645894723,
"volume_molar": 16.994400412028355,
"formula_full": "K1 Mg6 Bi1",
"formula_reduced": "KMg6Bi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94112",
"created_at": "2022-09-04T14:36:19.745946Z",
"updated_at": "2022-09-04T14:36:19.745966Z",
"structure_string": "Mg6 Ni1 Bi1\n1.0\n6.723178 -0.282922 0.000000\n-3.606606 5.680982 0.000000\n0.000000 0.000000 4.759017\nMg Ni Bi\n6 1 1\ndirect\n0.171516 0.806059 0.250000 Mg\n0.693941 0.328484 0.250000 Mg\n0.671010 0.828989 0.250000 Mg\n0.328748 0.634382 0.750001 Mg\n0.865618 0.171252 0.750001 Mg\n0.828076 0.671924 0.750001 Mg\n0.106168 0.393831 0.250000 Ni\n0.334923 0.165077 0.750001 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Bi"
],
"chemical_system": "Bi-Mg-Ni",
"density": 3.881267973046313,
"density_atomic": 0.04522046388747515,
"volume": 176.91105557667188,
"volume_molar": 13.317290983536264,
"formula_full": "Mg6 Ni1 Bi1",
"formula_reduced": "Mg6NiBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-87993",
"created_at": "2022-09-04T14:36:19.750400Z",
"updated_at": "2022-09-04T14:36:19.750427Z",
"structure_string": "Te12 Br4 O22\n1.0\n6.836997 0.035494 0.000000\n-3.344014 5.963503 -0.000000\n0.000000 0.000000 15.643675\nTe Br O\n12 4 22\ndirect\n0.206475 0.523491 0.086214 Te\n0.081220 0.081220 0.860500 Te\n0.081220 0.081220 0.639500 Te\n0.918781 0.918779 0.139500 Te\n0.523491 0.206474 0.086214 Te\n0.918781 0.918779 0.360500 Te\n0.206475 0.523491 0.413786 Te\n0.793526 0.476508 0.913786 Te\n0.476509 0.793525 0.913786 Te\n0.523491 0.206474 0.413786 Te\n0.476509 0.793525 0.586214 Te\n0.793526 0.476508 0.586214 Te\n0.853740 0.507749 0.250000 Br\n0.146261 0.492250 0.750000 Br\n0.507750 0.853739 0.250000 Br\n0.492251 0.146260 0.750000 Br\n0.582940 0.582939 0.885161 O\n0.183621 0.485114 0.536899 O\n0.816379 0.514885 0.036899 O\n0.938764 0.938763 0.750000 O\n0.417061 0.417060 0.114838 O\n0.061236 0.061236 0.250000 O\n0.194646 0.951011 0.093612 O\n0.805354 0.048988 0.593612 O\n0.951012 0.194645 0.406388 O\n0.048988 0.805354 0.906388 O\n0.805354 0.048988 0.906388 O\n0.194646 0.951011 0.406388 O\n0.048988 0.805354 0.593612 O\n0.951012 0.194645 0.093612 O\n0.514886 0.816379 0.036899 O\n0.485114 0.183620 0.536899 O\n0.816379 0.514885 0.463101 O\n0.183621 0.485114 0.963100 O\n0.485114 0.183620 0.963100 O\n0.514886 0.816379 0.463101 O\n0.582940 0.582939 0.614838 O\n0.417061 0.417060 0.385161 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Te",
"Br",
"O"
],
"chemical_system": "Br-O-Te",
"density": 5.718164773438403,
"density_atomic": 0.05940398025297369,
"volume": 639.6877757715193,
"volume_molar": 10.137604810914231,
"formula_full": "Te12 Br4 O22",
"formula_reduced": "Te6Br2O11",
"formula_anonymous": "A2B6C11",
"energy_above_hull": 2.0574712268421056,
"spacegroup": 63
},
{
"id": "jvasp-90075",
"created_at": "2022-09-04T14:36:19.750407Z",
"updated_at": "2022-09-04T14:36:19.750425Z",
"structure_string": "Zr3 Sn3 Rh3\n1.0\n0.000000 0.000000 -3.674891\n-3.692565 -6.395708 0.000000\n-3.692583 6.395720 0.000000\nZr Sn Rh\n3 3 3\ndirect\n0.500000 0.603138 0.000000 Zr\n0.500000 0.396842 0.396850 Zr\n0.500000 0.999993 0.603151 Zr\n0.000000 0.268444 0.000000 Sn\n0.000000 0.731532 0.731542 Sn\n0.000000 0.999990 0.268458 Sn\n0.000000 0.333322 0.666668 Rh\n0.000000 0.666654 0.333332 Rh\n0.500000 0.999988 0.000001 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Zr",
"density": 8.97840589610085,
"density_atomic": 0.051850125184401345,
"volume": 173.57720869510206,
"volume_molar": 11.614515372108894,
"formula_full": "Zr3 Sn3 Rh3",
"formula_reduced": "ZrSnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.004423066666667,
"spacegroup": 189
},
{
"id": "jvasp-73257",
"created_at": "2022-09-04T14:36:19.753854Z",
"updated_at": "2022-09-04T14:36:19.753885Z",
"structure_string": "Hf1 Be2 Os1\n1.0\n-1.985116 1.985116 3.243431\n1.985116 -1.985116 3.243431\n1.985116 1.985116 -3.243431\nHf Be Os\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Hf\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Os"
],
"chemical_system": "Be-Hf-Os",
"density": 12.561359837632613,
"density_atomic": 0.07823904795714212,
"volume": 51.12536648185092,
"volume_molar": 7.697103834007305,
"formula_full": "Hf1 Be2 Os1",
"formula_reduced": "HfBe2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.71098505,
"spacegroup": 139
},
{
"id": "jvasp-66515",
"created_at": "2022-09-04T14:36:19.759492Z",
"updated_at": "2022-09-04T14:36:19.759524Z",
"structure_string": "Ba4 Ni1 Pt1\n1.0\n-0.000000 4.718276 4.718276\n4.718276 -0.000000 4.718276\n4.718276 4.718276 0.000000\nBa Ni Pt\n4 1 1\ndirect\n0.124030 0.625324 0.625324 Ba\n0.625324 0.625324 0.625324 Ba\n0.625324 0.124030 0.625324 Ba\n0.625324 0.625324 0.124030 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pt"
],
"chemical_system": "Ba-Ni-Pt",
"density": 6.3479106773039,
"density_atomic": 0.028560856649000328,
"volume": 210.0777323921763,
"volume_molar": 21.085294583454957,
"formula_full": "Ba4 Ni1 Pt1",
"formula_reduced": "Ba4NiPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.62364128,
"spacegroup": 216
},
{
"id": "jvasp-70916",
"created_at": "2022-09-04T14:36:19.766784Z",
"updated_at": "2022-09-04T14:36:19.766809Z",
"structure_string": "Be1 Co1 Pd2\n1.0\n2.725691 -0.000000 0.000000\n-0.000000 2.725691 0.000000\n-0.000000 -0.000000 6.567927\nBe Co Pd\n1 1 2\ndirect\n0.000000 0.000000 0.513295 Be\n0.500000 0.500000 0.710740 Co\n0.000000 0.000000 0.976483 Pd\n0.500000 0.500000 0.299485 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Pd"
],
"chemical_system": "Be-Co-Pd",
"density": 9.555249388408523,
"density_atomic": 0.08197443534787167,
"volume": 48.795700550121,
"volume_molar": 7.346364429890952,
"formula_full": "Be1 Co1 Pd2",
"formula_reduced": "BeCoPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0597021,
"spacegroup": 99
},
{
"id": "jvasp-95239",
"created_at": "2022-09-04T14:36:19.769643Z",
"updated_at": "2022-09-04T14:36:19.769671Z",
"structure_string": "Zr4 H24 N4 O4 F20\n1.0\n10.051389 0.000000 2.288374\n0.000000 7.641161 0.000000\n0.053005 0.000000 6.816414\nZr H N O F\n4 24 4 4 20\ndirect\n0.542438 0.553624 0.734373 Zr\n0.042438 0.946376 0.234374 Zr\n0.457562 0.446376 0.265626 Zr\n0.957563 0.053624 0.765625 Zr\n0.712673 0.879313 0.304032 H\n0.787327 0.379313 0.195967 H\n0.287327 0.120687 0.695966 H\n0.053995 0.650285 0.776787 H\n0.553995 0.849715 0.276787 H\n0.946006 0.349715 0.223212 H\n0.446006 0.150285 0.723212 H\n0.109020 0.444735 0.812470 H\n0.609020 0.055265 0.312470 H\n0.890981 0.555265 0.187528 H\n0.390981 0.944735 0.687528 H\n0.212674 0.620687 0.804032 H\n0.668670 0.957254 0.095529 H\n0.168670 0.542746 0.595529 H\n0.809954 0.444206 0.738125 H\n0.309954 0.055794 0.238126 H\n0.690046 0.944206 0.761872 H\n0.814701 0.650864 0.700154 H\n0.190046 0.555794 0.261873 H\n0.185300 0.349136 0.299845 H\n0.685300 0.150864 0.799844 H\n0.331331 0.042746 0.904470 H\n0.831330 0.457254 0.404470 H\n0.314701 0.849136 0.200155 H\n0.135092 0.566268 0.749617 N\n0.364908 0.066268 0.750382 N\n0.864908 0.433732 0.250382 N\n0.635092 0.933732 0.249617 N\n0.228507 0.459094 0.331644 O\n0.728507 0.040905 0.831644 O\n0.771493 0.540905 0.668354 O\n0.271493 0.959094 0.168355 O\n0.088169 0.899119 0.516176 F\n0.588169 0.600881 0.016176 F\n0.125352 0.201369 0.680849 F\n0.625351 0.298631 0.180849 F\n0.874649 0.798631 0.319150 F\n0.374649 0.701368 0.819150 F\n0.890063 0.307688 0.827315 F\n0.390063 0.192311 0.327315 F\n0.109937 0.692311 0.172684 F\n0.609938 0.807688 0.672683 F\n0.397825 0.707172 0.307023 F\n0.102176 0.207172 0.192976 F\n0.602176 0.292828 0.692975 F\n0.897937 0.067616 0.088351 F\n0.397937 0.432384 0.588350 F\n0.102064 0.932384 0.911648 F\n0.602064 0.567616 0.411648 F\n0.411831 0.399119 0.983822 F\n0.897825 0.792827 0.807023 F\n0.911831 0.100881 0.483822 F\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Zr",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-Zr",
"density": 2.8249945201348217,
"density_atomic": 0.10715592144395748,
"volume": 522.602943872663,
"volume_molar": 5.619979445699208,
"formula_full": "Zr4 H24 N4 O4 F20",
"formula_reduced": "ZrH6NOF5",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 2.201429475892857,
"spacegroup": 14
}
]
}