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=-nelements&page=625",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=623",
"results": [
{
"id": "jvasp-56666",
"created_at": "2022-09-04T14:38:18.920685Z",
"updated_at": "2022-09-04T14:38:18.920695Z",
"structure_string": "Y4 Mo4 O16 F4\n1.0\n0.000000 5.221984 -0.000915\n12.311589 0.000000 0.000000\n0.000000 -2.615803 -6.151589\nY Mo O F\n4 4 16 4\ndirect\n0.361225 0.051257 0.199926 Y\n0.638774 0.948743 0.800074 Y\n0.361225 0.448743 0.699926 Y\n0.638774 0.551257 0.300074 Y\n0.076313 0.356031 0.128484 Mo\n0.923686 0.856032 0.371515 Mo\n0.076313 0.143969 0.628484 Mo\n0.923687 0.643969 0.871515 Mo\n0.306836 0.065644 0.537581 O\n0.003584 0.069395 0.835634 O\n0.003584 0.430605 0.335634 O\n0.761030 0.154455 0.406228 O\n0.693163 0.565644 0.962418 O\n0.693163 0.934356 0.462418 O\n0.996415 0.930605 0.164365 O\n0.189797 0.277590 0.705678 O\n0.238969 0.845545 0.593771 O\n0.761031 0.345545 0.906228 O\n0.189797 0.222410 0.205678 O\n0.306836 0.434356 0.037581 O\n0.810203 0.722410 0.294321 O\n0.996415 0.569395 0.664365 O\n0.810203 0.777590 0.794321 O\n0.238969 0.654455 0.093771 O\n0.546695 0.099600 0.963261 F\n0.453304 0.900401 0.036739 F\n0.546695 0.400400 0.463261 F\n0.453305 0.599600 0.536739 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Y",
"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-O-Y",
"density": 4.497987201143455,
"density_atomic": 0.07079273916078037,
"volume": 395.5207883171185,
"volume_molar": 8.506720931256611,
"formula_full": "Y4 Mo4 O16 F4",
"formula_reduced": "YMoO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5607922332142863,
"spacegroup": 14
},
{
"id": "jvasp-24961",
"created_at": "2022-09-04T14:38:16.744316Z",
"updated_at": "2022-09-04T14:38:16.744344Z",
"structure_string": "K8 Ba2 V4 S16\n1.0\n8.232364 -0.000000 -3.536186\n-1.856898 8.725585 -4.322923\n-0.005844 -0.015725 11.337103\nK Ba V S\n8 2 4 16\ndirect\n0.250027 0.000027 0.500053 K\n0.749973 0.499973 0.499946 K\n0.701409 0.575500 0.151000 K\n0.298590 0.424499 0.849000 K\n0.749973 -0.000027 0.499946 K\n0.449590 0.075500 0.151000 K\n0.550409 0.924499 0.848999 K\n0.250027 0.500026 0.500053 K\n-0.000000 0.750000 -0.000000 Ba\n-0.000000 0.250000 -0.000000 Ba\n0.345080 0.635150 0.270301 V\n0.654920 0.364849 0.729699 V\n0.925220 0.135150 0.270300 V\n0.074779 0.864849 0.729699 V\n0.515635 0.248309 0.496618 S\n0.082735 0.608512 0.217024 S\n0.221930 0.733287 0.822556 S\n0.778070 0.266711 0.177443 S\n0.134290 0.108512 0.217024 S\n0.778069 0.910732 0.177443 S\n0.600626 0.589267 0.822556 S\n0.600626 0.233288 0.822556 S\n0.484364 0.751690 0.503381 S\n0.221930 0.089267 0.822556 S\n0.399374 0.410732 0.177444 S\n0.865709 0.891487 0.782975 S\n0.980983 0.748309 0.496618 S\n0.399373 0.766711 0.177444 S\n0.019016 0.251690 0.503381 S\n0.917265 0.391487 0.782975 S\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"Ba",
"V",
"S"
],
"chemical_system": "Ba-K-S-V",
"density": 2.6621800991998925,
"density_atomic": 0.036876521088483376,
"volume": 813.5257642123153,
"volume_molar": 16.33055554657711,
"formula_full": "K8 Ba2 V4 S16",
"formula_reduced": "K4Ba(VS4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.5546604246666669,
"spacegroup": 72
},
{
"id": "jvasp-25661",
"created_at": "2022-09-04T14:38:16.728756Z",
"updated_at": "2022-09-04T14:38:16.728773Z",
"structure_string": "Rb8 Ag4 Sb4 S16\n1.0\n0.000000 8.205901 -0.078401\n10.859929 0.000000 0.000000\n0.000000 -7.838903 -10.294214\nRb Ag Sb S\n8 4 4 16\ndirect\n0.112803 0.988318 0.735940 Rb\n0.636057 0.729107 0.995142 Rb\n0.636057 0.770894 0.495142 Rb\n0.112803 0.511682 0.235940 Rb\n0.363943 0.229107 0.504857 Rb\n0.363942 0.270893 0.004857 Rb\n0.887197 0.011682 0.264060 Rb\n0.887197 0.488318 0.764060 Rb\n0.350795 0.030166 0.228523 Ag\n0.649205 0.969834 0.771476 Ag\n0.350795 0.469834 0.728523 Ag\n0.649205 0.530166 0.271476 Ag\n0.178572 0.774844 0.037208 Sb\n0.821428 0.225156 0.962792 Sb\n0.178572 0.725156 0.537207 Sb\n0.821428 0.274844 0.462792 Sb\n0.164976 0.816751 0.212553 S\n0.688213 0.072248 0.444524 S\n0.835023 0.183249 0.787447 S\n0.152266 0.227681 0.163485 S\n0.847733 0.772319 0.836514 S\n0.611380 0.067252 0.950694 S\n0.688213 0.427752 0.944523 S\n0.164976 0.683250 0.712553 S\n0.152266 0.272319 0.663485 S\n0.611380 0.432748 0.450694 S\n0.311787 0.572248 0.055476 S\n0.311787 0.927752 0.555476 S\n0.847733 0.727681 0.336514 S\n0.835023 0.316751 0.287447 S\n0.388620 0.567252 0.549306 S\n0.388619 0.932748 0.049306 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-Rb-S-Sb",
"density": 3.801240943498041,
"density_atomic": 0.03463022357515869,
"volume": 924.0483224299645,
"volume_molar": 17.389840833484726,
"formula_full": "Rb8 Ag4 Sb4 S16",
"formula_reduced": "Rb2AgSbS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.93543292,
"spacegroup": 14
},
{
"id": "jvasp-43419",
"created_at": "2022-09-04T14:38:11.046369Z",
"updated_at": "2022-09-04T14:38:11.046378Z",
"structure_string": "Li4 Sb1 Te3 O12\n1.0\n0.000000 5.050456 0.048943\n9.193612 0.000000 0.000000\n0.000000 -0.429635 -5.180252\nLi Sb Te O\n4 1 3 12\ndirect\n0.000000 0.317490 0.000000 Li\n0.500000 0.142536 0.000000 Li\n-0.000000 0.673670 0.500000 Li\n0.500000 0.843936 0.500000 Li\n0.000000 0.895799 0.000000 Sb\n0.500000 0.594670 0.000000 Te\n-0.000000 0.086201 0.500000 Te\n0.500000 0.398365 0.500000 Te\n0.778932 0.058148 0.792442 O\n0.284479 0.556116 0.650575 O\n0.212116 0.924156 0.691232 O\n0.210182 0.224784 0.701398 O\n0.789818 0.224784 0.298603 O\n0.284859 0.437203 0.147144 O\n0.715520 0.556116 0.349425 O\n0.221068 0.058148 0.207559 O\n0.715141 0.437203 0.852856 O\n0.233623 0.752718 0.191589 O\n0.787884 0.924156 0.308768 O\n0.766377 0.752718 0.808411 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Sb",
"Te",
"O"
],
"chemical_system": "Li-O-Sb-Te",
"density": 5.00448279523268,
"density_atomic": 0.08321690131805422,
"volume": 240.33579336918814,
"volume_molar": 7.236679886677627,
"formula_full": "Li4 Sb1 Te3 O12",
"formula_reduced": "Li4Sb(TeO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.2029720700000004,
"spacegroup": 3
},
{
"id": "jvasp-46716",
"created_at": "2022-09-04T14:38:18.197426Z",
"updated_at": "2022-09-04T14:38:18.197446Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.989451930365447,
"density_atomic": 0.07629346920902949,
"volume": 170.39466332802996,
"volume_molar": 7.893389594724664,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091887960212202,
"spacegroup": 5
},
{
"id": "jvasp-44729",
"created_at": "2022-09-04T14:38:11.053174Z",
"updated_at": "2022-09-04T14:38:11.053203Z",
"structure_string": "Li6 Fe2 Si2 O10\n1.0\n4.843498 0.002352 -0.002947\n-1.596385 5.443208 0.018581\n-0.864133 -1.913433 5.985037\nLi Fe Si O\n6 2 2 10\ndirect\n0.686252 0.400091 0.392465 Li\n0.500000 -0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.313748 0.599910 0.607535 Li\n0.106761 0.200388 0.195170 Li\n0.893239 0.799612 0.804829 Li\n0.704615 0.901273 0.401647 Fe\n0.295386 0.098727 0.598353 Fe\n0.901833 0.306613 0.805617 Si\n0.098167 0.693387 0.194383 Si\n0.994617 0.248210 0.530181 O\n0.829746 0.840038 0.124673 O\n0.834691 0.369614 0.085626 O\n0.617029 0.984850 0.703347 O\n0.616664 0.420612 0.701755 O\n0.382972 0.015151 0.296653 O\n0.383336 0.579389 0.298245 O\n0.170254 0.159962 0.875327 O\n0.165310 0.630386 0.914374 O\n0.005383 0.751790 0.469819 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.8842868643090656,
"density_atomic": 0.12661249770459018,
"volume": 157.9622893678601,
"volume_molar": 4.756355706725525,
"formula_full": "Li6 Fe2 Si2 O10",
"formula_reduced": "Li3FeSiO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.2529641599999994,
"spacegroup": 2
},
{
"id": "jvasp-46191",
"created_at": "2022-09-04T14:38:04.729615Z",
"updated_at": "2022-09-04T14:38:04.729640Z",
"structure_string": "Li4 Fe2 B2 O8\n1.0\n3.469542 3.634607 -0.038444\n-3.469542 3.634607 0.038444\n-0.067435 0.000000 6.068910\nLi Fe B O\n4 2 2 8\ndirect\n0.323305 0.676696 0.716291 Li\n0.176545 0.176545 0.500000 Li\n0.823456 0.823455 0.500000 Li\n0.676696 0.323305 0.283709 Li\n0.195232 0.195232 -0.000000 Fe\n0.804769 0.804769 0.000000 Fe\n0.318141 0.681859 0.256486 B\n0.681860 0.318141 0.743514 B\n0.199108 0.800893 0.029713 O\n0.198697 0.801304 0.437681 O\n0.614977 0.717231 0.245950 O\n0.282770 0.385024 0.245950 O\n0.385025 0.282769 0.754050 O\n0.717232 0.614976 0.754050 O\n0.801305 0.198696 0.562319 O\n0.800894 0.199107 0.970287 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.1364408105126076,
"density_atomic": 0.10454497329567376,
"volume": 153.04418276284648,
"volume_molar": 5.76033506935642,
"formula_full": "Li4 Fe2 B2 O8",
"formula_reduced": "Li2FeBO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5007377604166665,
"spacegroup": 12
},
{
"id": "jvasp-109626",
"created_at": "2022-09-04T14:38:19.508473Z",
"updated_at": "2022-09-04T14:38:19.508489Z",
"structure_string": "Ba2 Zn1 Os1 O6\n1.0\n5.003197 -0.000000 2.888597\n1.667732 4.717059 2.888597\n0.000000 -0.000000 5.777194\nBa Zn Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Os\n0.760485 0.239515 0.239515 O\n0.239515 0.760485 0.760485 O\n0.239515 0.760485 0.239516 O\n0.760485 0.239515 0.760484 O\n0.239515 0.239515 0.760484 O\n0.760485 0.760485 0.239516 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Os",
"O"
],
"chemical_system": "Ba-O-Os-Zn",
"density": 7.627606767388241,
"density_atomic": 0.07334392316238238,
"volume": 136.34394737598296,
"volume_molar": 8.21082442872202,
"formula_full": "Ba2 Zn1 Os1 O6",
"formula_reduced": "Ba2ZnOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.986911834,
"spacegroup": 225
},
{
"id": "jvasp-44357",
"created_at": "2022-09-04T14:38:11.062283Z",
"updated_at": "2022-09-04T14:38:11.062307Z",
"structure_string": "Li2 Ti1 Fe1 O4\n1.0\n0.000000 5.135924 -0.108870\n2.933732 0.000000 0.000000\n0.000000 -1.605011 -4.496648\nLi Ti Fe O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Fe\n0.731791 0.000000 0.234265 O\n0.735652 0.500000 0.739155 O\n0.268209 0.000000 0.765736 O\n0.264347 0.500000 0.260846 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.4171620966166705,
"density_atomic": 0.11718943790243588,
"volume": 68.26553777534343,
"volume_molar": 5.138808469252693,
"formula_full": "Li2 Ti1 Fe1 O4",
"formula_reduced": "Li2TiFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.3669634791666665,
"spacegroup": 10
},
{
"id": "jvasp-59408",
"created_at": "2022-09-04T14:38:11.062938Z",
"updated_at": "2022-09-04T14:38:11.062958Z",
"structure_string": "Zn4 Sb4 As4 O20\n1.0\n0.000000 7.622489 -0.000369\n7.632671 0.000000 0.000000\n0.000000 -0.000599 -8.703985\nZn Sb As O\n4 4 4 20\ndirect\n0.928926 0.419608 0.845678 Zn\n0.571073 0.580390 0.345677 Zn\n0.428927 0.080390 0.654324 Zn\n0.071074 0.919608 0.154323 Zn\n0.036902 0.518629 0.510109 Sb\n0.463097 0.481373 0.010099 Sb\n0.536903 0.981373 -0.010099 Sb\n0.963098 0.018629 0.489892 Sb\n0.349890 0.183477 0.323756 As\n0.150112 0.816523 0.823759 As\n0.650110 0.683477 0.676245 As\n0.849888 0.316523 0.176242 As\n0.108305 0.606578 0.761235 O\n0.573846 0.661289 0.139805 O\n0.926158 0.338701 0.639807 O\n0.318911 0.050481 0.164536 O\n0.181083 0.949514 0.664535 O\n0.818917 0.449514 0.335465 O\n0.681089 0.550480 0.835464 O\n0.391694 0.393419 0.261223 O\n0.891695 0.106578 0.238766 O\n0.160452 0.206311 0.433483 O\n0.507822 0.106157 0.445983 O\n0.992178 0.893847 0.945975 O\n0.007822 0.393847 0.054025 O\n0.492178 0.606157 0.554017 O\n0.426154 0.161289 0.860195 O\n0.339556 0.793690 0.933483 O\n0.660444 0.293690 0.066517 O\n0.839548 0.706310 0.566518 O\n0.608306 0.893419 0.738778 O\n0.073842 0.838701 0.360194 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Sb",
"As",
"O"
],
"chemical_system": "As-O-Sb-Zn",
"density": 4.486988292801283,
"density_atomic": 0.06319147515913326,
"volume": 506.39742021238357,
"volume_molar": 9.529989203187009,
"formula_full": "Zn4 Sb4 As4 O20",
"formula_reduced": "ZnSbAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.92962321875,
"spacegroup": 19
},
{
"id": "jvasp-11477",
"created_at": "2022-09-04T14:38:04.472721Z",
"updated_at": "2022-09-04T14:38:04.472747Z",
"structure_string": "Al1 Tl1 Mo2 O8\n1.0\n2.799827 -4.849443 -0.000000\n2.799827 4.849443 0.000000\n0.000000 0.000000 7.323468\nAl Tl Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333334 0.770517 Mo\n0.333334 0.666667 0.229483 Mo\n0.841560 0.683120 0.847425 O\n0.841560 0.158441 0.847425 O\n0.316881 0.158441 0.847425 O\n0.683120 0.841560 0.152576 O\n0.333334 0.666667 0.466650 O\n0.666667 0.333334 0.533350 O\n0.158441 0.316881 0.152576 O\n0.158441 0.841560 0.152576 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Al",
"Tl",
"Mo",
"O"
],
"chemical_system": "Al-Mo-O-Tl",
"density": 4.602777820306391,
"density_atomic": 0.060340847520875325,
"volume": 198.870259418357,
"volume_molar": 9.980205793292178,
"formula_full": "Al1 Tl1 Mo2 O8",
"formula_reduced": "AlTl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0957979333333334,
"spacegroup": 164
},
{
"id": "jvasp-45285",
"created_at": "2022-09-04T14:38:11.083120Z",
"updated_at": "2022-09-04T14:38:11.083147Z",
"structure_string": "Ba3 Ti3 B2 O12\n1.0\n4.427434 -7.668541 -0.000000\n4.427434 7.668541 -0.000000\n0.000000 0.000000 3.846216\nBa Ti B O\n3 3 2 12\ndirect\n0.595967 0.595967 0.500001 Ba\n-0.000000 0.404032 0.500001 Ba\n0.404032 -0.000000 0.500001 Ba\n0.235065 0.235065 0.000000 Ti\n-0.000000 0.764934 0.000000 Ti\n0.764934 -0.000000 0.000000 Ti\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.185379 -0.000000 0.000000 O\n0.263971 0.263971 0.500001 O\n-0.000000 0.736029 0.500001 O\n0.736029 -0.000000 0.500001 O\n0.185213 0.680008 0.000000 O\n0.814786 0.494794 0.000000 O\n0.505205 0.319991 0.000000 O\n0.680008 0.185213 0.000000 O\n-0.000000 0.185379 0.000000 O\n0.494794 0.814786 0.000000 O\n0.319991 0.505205 0.000000 O\n0.814621 0.814621 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"B",
"O"
],
"chemical_system": "B-Ba-O-Ti",
"density": 4.89055402364483,
"density_atomic": 0.07657755397565717,
"volume": 261.1731370573379,
"volume_molar": 7.864106970450306,
"formula_full": "Ba3 Ti3 B2 O12",
"formula_reduced": "Ba3Ti3(BO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.9164300038333333,
"spacegroup": 189
}
]
}