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=4526",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4524",
"results": [
{
"id": "jvasp-22965",
"created_at": "2022-09-04T14:38:10.774642Z",
"updated_at": "2022-09-04T14:38:10.774661Z",
"structure_string": "Sm8 Re4 O20\n1.0\n8.685784 -0.000000 -0.000000\n0.000000 8.685784 0.000000\n0.000000 0.000000 5.765193\nSm Re O\n8 4 20\ndirect\n0.857740 0.150025 0.249495 Sm\n0.650025 0.642259 0.249495 Sm\n0.349975 0.357741 0.249495 Sm\n0.142259 0.849975 0.249495 Sm\n0.357741 0.650025 0.750504 Sm\n0.150025 0.142259 0.750504 Sm\n0.849975 0.857740 0.750504 Sm\n0.642259 0.349975 0.750504 Sm\n-0.000000 0.500000 0.453879 Re\n0.500000 0.000000 0.546121 Re\n0.500000 0.000000 0.152608 Re\n-0.000000 0.500000 0.847392 Re\n0.091069 0.701475 0.897976 O\n0.408931 0.798525 0.102024 O\n0.701475 0.908931 0.102024 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.798525 0.591069 0.897976 O\n0.908931 0.298525 0.897976 O\n0.798847 0.410182 0.394689 O\n0.701153 0.089817 0.605311 O\n0.589817 0.798847 0.605311 O\n0.410182 0.201153 0.605311 O\n0.298847 0.910182 0.605311 O\n0.591069 0.201475 0.102024 O\n0.910182 0.701153 0.394689 O\n0.089817 0.298847 0.394689 O\n0.201153 0.589817 0.394689 O\n0.201475 0.408931 0.897976 O\n0.298525 0.091069 0.102024 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sm",
"Re",
"O"
],
"chemical_system": "O-Re-Sm",
"density": 8.657689989979637,
"density_atomic": 0.07357293435327217,
"volume": 434.94255436852495,
"volume_molar": 8.185266515378782,
"formula_full": "Sm8 Re4 O20",
"formula_reduced": "Sm2ReO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.8342829062499995,
"spacegroup": 85
},
{
"id": "jvasp-20891",
"created_at": "2022-09-04T14:38:27.157344Z",
"updated_at": "2022-09-04T14:38:27.157361Z",
"structure_string": "K12 V4 S16\n1.0\n9.112141 -0.000000 0.000000\n-0.000000 9.124411 0.000000\n0.000000 0.000000 10.475104\nK V S\n12 4 16\ndirect\n0.051069 0.207241 0.044061 K\n0.139515 0.412475 0.750000 K\n0.360485 0.912475 0.250000 K\n0.639515 0.087525 0.750000 K\n0.860485 0.587525 0.250000 K\n0.948931 0.792758 0.544061 K\n0.551069 0.292759 0.455939 K\n0.448931 0.707241 0.955939 K\n0.551069 0.292759 0.044061 K\n0.051069 0.207241 0.455939 K\n0.448931 0.707241 0.544061 K\n0.948931 0.792758 0.955939 K\n0.283826 0.483992 0.250000 V\n0.216174 0.983992 0.750000 V\n0.783825 0.016008 0.250000 V\n0.716174 0.516008 0.750000 V\n0.331073 0.050501 0.579520 S\n0.668927 0.949498 0.079521 S\n0.168927 0.550501 0.079521 S\n0.831073 0.449499 0.579520 S\n0.668927 0.949498 0.420479 S\n0.003044 0.921960 0.250000 S\n0.496956 0.421960 0.750000 S\n0.503044 0.578040 0.250000 S\n0.801701 0.251849 0.250000 S\n0.698299 0.751849 0.750000 S\n0.301701 0.248151 0.250000 S\n0.198299 0.748150 0.750000 S\n0.331073 0.050501 0.920479 S\n0.168927 0.550501 0.420479 S\n-0.003044 0.078040 0.750000 S\n0.831073 0.449499 0.920479 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"V",
"S"
],
"chemical_system": "K-S-V",
"density": 2.2612308358668582,
"density_atomic": 0.03674230213695297,
"volume": 870.9307294007723,
"volume_molar": 16.390210764565378,
"formula_full": "K12 V4 S16",
"formula_reduced": "K3VS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1671060249999998,
"spacegroup": 62
},
{
"id": "jvasp-25189",
"created_at": "2022-09-04T14:38:30.311813Z",
"updated_at": "2022-09-04T14:38:30.311844Z",
"structure_string": "Se32\n1.0\n8.115828 0.000000 0.000000\n0.000000 9.225852 -0.374265\n0.000000 0.196291 13.008826\nSe\n32\ndirect\n0.691912 0.558107 0.413960 Se\n0.022795 0.336392 0.213480 Se\n0.522795 0.663607 0.286520 Se\n0.256997 0.633253 0.837896 Se\n0.756997 0.366747 0.662104 Se\n0.743003 0.366747 0.162104 Se\n0.243003 0.633253 0.337896 Se\n0.345974 0.860926 0.905361 Se\n0.845974 0.139074 0.594640 Se\n0.654026 0.139074 0.094640 Se\n0.154026 0.860926 0.405361 Se\n0.334965 0.842894 0.089013 Se\n0.834965 0.157105 0.410987 Se\n0.665035 0.157105 0.910988 Se\n0.165035 0.842894 0.589013 Se\n0.084506 0.954786 0.144296 Se\n0.584506 0.045214 0.355704 Se\n0.915494 0.045214 0.855704 Se\n0.415494 0.954786 0.644296 Se\n0.898201 0.760367 0.169389 Se\n0.398201 0.239633 0.330612 Se\n0.101799 0.239633 0.830612 Se\n0.601799 0.760367 0.669389 Se\n0.722810 0.754827 0.021796 Se\n0.222809 0.245173 0.478204 Se\n0.277191 0.245173 0.978205 Se\n0.777191 0.754827 0.521796 Se\n0.808088 0.558107 0.913960 Se\n0.308088 0.441892 0.586040 Se\n0.191912 0.441892 0.086040 Se\n0.477205 0.336392 0.713480 Se\n0.977205 0.663607 0.786521 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.3048996752078335,
"density_atomic": 0.03283271505919311,
"volume": 974.6376424340225,
"volume_molar": 18.341890852288227,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.0557833666666667,
"spacegroup": 14
},
{
"id": "jvasp-22951",
"created_at": "2022-09-04T14:38:19.984303Z",
"updated_at": "2022-09-04T14:38:19.984326Z",
"structure_string": "Sr8 Sn4 S12 F8\n1.0\n5.966276 -0.000000 0.000000\n-0.000000 5.951323 0.000000\n0.000000 0.000000 19.008294\nSr Sn S F\n8 4 12 8\ndirect\n0.246771 0.497318 0.073877 Sr\n0.746771 0.002682 0.426123 Sr\n0.253229 0.997318 0.926123 Sr\n0.753230 0.502681 0.573877 Sr\n0.246771 0.497318 0.426123 Sr\n0.746771 0.002682 0.073877 Sr\n0.253229 0.997318 0.573877 Sr\n0.753230 0.502681 0.926123 Sr\n0.156958 0.568996 0.750000 Sn\n0.656958 0.931003 0.750000 Sn\n0.843043 0.431003 0.250000 Sn\n0.343042 0.068996 0.250000 Sn\n0.744585 0.519026 0.750000 S\n0.257200 0.487743 0.631746 S\n0.757200 0.012256 0.868253 S\n0.242801 0.987743 0.368253 S\n0.742801 0.512256 0.131746 S\n0.244585 0.980973 0.750000 S\n0.257200 0.487743 0.868253 S\n0.255416 0.480973 0.250000 S\n0.757200 0.012256 0.631746 S\n0.242801 0.987743 0.131746 S\n0.742801 0.512256 0.368253 S\n0.755416 0.019027 0.250000 S\n0.000789 0.752529 0.499661 F\n0.500789 0.747470 0.499661 F\n0.000789 0.752529 0.000338 F\n0.999212 0.247470 0.500338 F\n0.499212 0.252530 0.999661 F\n0.499212 0.252530 0.500338 F\n0.999212 0.247470 0.999661 F\n0.500789 0.747470 0.000338 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"S",
"F"
],
"chemical_system": "F-S-Sn-Sr",
"density": 4.21343912522135,
"density_atomic": 0.04741218563615221,
"volume": 674.9319730917387,
"volume_molar": 12.70167295432182,
"formula_full": "Sr8 Sn4 S12 F8",
"formula_reduced": "Sr2SnS3F2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.386445610625,
"spacegroup": 62
},
{
"id": "jvasp-89268",
"created_at": "2022-09-04T14:38:12.172003Z",
"updated_at": "2022-09-04T14:38:12.172029Z",
"structure_string": "Pb8 C4 Br8 O12\n1.0\n8.381912 0.000000 0.000000\n0.000000 8.381912 -0.000000\n-0.000000 -0.000000 9.134068\nPb C Br O\n8 4 8 12\ndirect\n0.161142 0.661142 0.252295 Pb\n0.338858 0.161142 0.252295 Pb\n0.661142 0.838858 0.252295 Pb\n0.661142 0.838858 0.747705 Pb\n0.338858 0.161142 0.747705 Pb\n0.838858 0.338858 0.252295 Pb\n0.161142 0.661142 0.747705 Pb\n0.838858 0.338858 0.747705 Pb\n0.674820 0.174820 0.000000 C\n0.825180 0.674820 0.000000 C\n0.174820 0.325180 0.000000 C\n0.325180 0.825180 0.000000 C\n0.849963 0.650037 0.500000 Br\n0.650037 0.150037 0.500000 Br\n0.349963 0.849963 0.500000 Br\n0.500000 0.500000 0.232992 Br\n0.000000 0.000000 0.767008 Br\n0.500000 0.500000 0.767008 Br\n0.000000 0.000000 0.232992 Br\n0.150037 0.349963 0.500000 Br\n0.625343 0.125343 0.125675 O\n0.125343 0.374657 0.874326 O\n0.874657 0.625343 0.874326 O\n0.874657 0.625343 0.125675 O\n0.125343 0.374657 0.125675 O\n0.714193 0.785807 0.000000 O\n0.785807 0.285807 0.000000 O\n0.285807 0.214193 0.000000 O\n0.214193 0.714193 0.000000 O\n0.374657 0.874657 0.874326 O\n0.374657 0.874657 0.125675 O\n0.625343 0.125343 0.874326 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pb",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-O-Pb",
"density": 6.564421586352158,
"density_atomic": 0.04986542719332338,
"volume": 641.7271805561624,
"volume_molar": 12.076785658834828,
"formula_full": "Pb8 C4 Br8 O12",
"formula_reduced": "Pb2CBr2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.81704504375,
"spacegroup": 127
},
{
"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-20924",
"created_at": "2022-09-04T14:38:19.161707Z",
"updated_at": "2022-09-04T14:38:19.161730Z",
"structure_string": "K12 As4 S16\n1.0\n9.082919 0.000000 0.000000\n0.000000 9.325500 0.000000\n0.000000 0.000000 10.556611\nK As S\n12 4 16\ndirect\n0.942164 0.700026 0.007174 K\n0.360054 0.583561 0.713176 K\n0.860054 0.916439 0.713176 K\n0.139946 0.083561 0.213176 K\n0.942163 0.700030 0.419178 K\n0.057837 0.299970 0.919178 K\n0.557837 0.200030 0.919178 K\n0.442163 0.799970 0.419178 K\n0.442164 0.799974 0.007174 K\n0.057836 0.299974 0.507174 K\n0.557836 0.200026 0.507174 K\n0.639946 0.416439 0.213176 K\n0.780094 0.479360 0.713174 As\n0.219906 0.520640 0.213175 As\n0.719906 0.979360 0.213175 As\n0.280094 0.020640 0.713174 As\n0.186596 0.754007 0.213173 S\n0.686596 0.745993 0.213173 S\n0.340861 0.463072 0.040487 S\n0.659139 0.536928 0.540487 S\n0.159139 0.963072 0.540487 S\n0.840861 0.036928 0.040487 S\n0.003333 0.411064 0.213175 S\n0.996667 0.588936 0.713175 S\n0.503333 0.088936 0.213175 S\n0.340862 0.463071 0.385861 S\n0.659138 0.536929 0.885861 S\n0.159138 0.963071 0.885861 S\n0.840862 0.036929 0.385861 S\n0.813404 0.245993 0.713173 S\n0.496667 0.911064 0.713175 S\n0.313404 0.254007 0.713173 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"As",
"S"
],
"chemical_system": "As-K-S",
"density": 2.380582252262324,
"density_atomic": 0.03578721414852154,
"volume": 894.1740999228352,
"volume_molar": 16.827632167755063,
"formula_full": "K12 As4 S16",
"formula_reduced": "K3AsS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.91338571875,
"spacegroup": 62
},
{
"id": "jvasp-22941",
"created_at": "2022-09-04T14:38:27.144167Z",
"updated_at": "2022-09-04T14:38:27.144185Z",
"structure_string": "Rb12 Sb4 Se16\n1.0\n9.867333 0.000000 0.000000\n-0.000000 10.243874 0.000000\n0.000000 0.000000 11.466230\nRb Sb Se\n12 4 16\ndirect\n0.937618 0.305150 0.955316 Rb\n0.437618 0.194850 0.955316 Rb\n0.562382 0.805150 0.455316 Rb\n0.062382 0.694850 0.044684 Rb\n0.139526 0.912312 0.750000 Rb\n0.639526 0.587687 0.750000 Rb\n0.360474 0.412312 0.250000 Rb\n0.860474 0.087687 0.250000 Rb\n0.062382 0.694850 0.455316 Rb\n0.437618 0.194850 0.544684 Rb\n0.562382 0.805150 0.044684 Rb\n0.937618 0.305150 0.544684 Rb\n0.723231 0.022035 0.750000 Sb\n0.223231 0.477964 0.750000 Sb\n0.776769 0.522035 0.250000 Sb\n0.276769 0.977964 0.250000 Sb\n0.819528 0.763854 0.250000 Se\n0.180472 0.236146 0.750000 Se\n0.004175 0.405910 0.250000 Se\n0.504175 0.094090 0.250000 Se\n0.495825 0.905910 0.750000 Se\n-0.004175 0.594090 0.750000 Se\n0.646785 0.466952 0.432837 Se\n0.146785 0.033048 0.067163 Se\n0.353214 0.533047 0.932837 Se\n0.353214 0.533047 0.567163 Se\n0.853214 0.966952 0.932837 Se\n0.146785 0.033048 0.432837 Se\n0.646785 0.466952 0.067163 Se\n0.319528 0.736146 0.250000 Se\n0.853214 0.966952 0.567163 Se\n0.680472 0.263854 0.750000 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Se"
],
"chemical_system": "Rb-Sb-Se",
"density": 3.9772787058252574,
"density_atomic": 0.02760993069083816,
"volume": 1159.0032716242422,
"volume_molar": 21.811502634442814,
"formula_full": "Rb12 Sb4 Se16",
"formula_reduced": "Rb3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5217461958333334,
"spacegroup": 62
},
{
"id": "jvasp-97613",
"created_at": "2022-09-04T14:35:58.276202Z",
"updated_at": "2022-09-04T14:35:58.276221Z",
"structure_string": "Ba7 Ir6 O19\n1.0\n5.808647 0.000000 0.000000\n-2.904323 7.385456 -1.244606\n0.000000 0.019467 11.121155\nBa Ir O\n7 6 19\ndirect\n0.801486 0.602971 0.408238 Ba\n0.198515 0.397030 0.591762 Ba\n0.572629 0.145257 0.162505 Ba\n0.427373 0.854744 0.837495 Ba\n0.854652 0.709302 0.053832 Ba\n0.145350 0.290700 0.946168 Ba\n0.500000 0.000000 0.500000 Ba\n0.021978 0.043956 0.323259 Ir\n0.343406 0.686811 0.217632 Ir\n0.656596 0.313190 0.782369 Ir\n0.181466 0.362932 0.265822 Ir\n0.818535 0.637069 0.734178 Ir\n0.978024 0.956045 0.676741 Ir\n0.991659 0.517802 0.837117 O\n0.473857 0.482199 0.162883 O\n0.359745 0.249021 0.368974 O\n0.000000 0.000000 0.500000 O\n0.889277 0.249021 0.368974 O\n0.526144 0.517802 0.837117 O\n0.008343 0.482199 0.162883 O\n0.176600 0.855042 0.293746 O\n0.321558 0.144959 0.706254 O\n0.823402 0.144959 0.706254 O\n0.678444 0.855042 0.293746 O\n0.394924 0.789847 0.062504 O\n0.605077 0.210154 0.937497 O\n0.054648 0.109297 0.148942 O\n0.945353 0.890704 0.851058 O\n0.702595 0.405189 0.612165 O\n0.297407 0.594812 0.387835 O\n0.640257 0.750980 0.631026 O\n0.110725 0.750980 0.631026 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O",
"density": 8.41548590418449,
"density_atomic": 0.06705322836105428,
"volume": 477.23280119628333,
"volume_molar": 8.981134700290983,
"formula_full": "Ba7 Ir6 O19",
"formula_reduced": "Ba7Ir6O19",
"formula_anonymous": "A6B7C19",
"energy_above_hull": 2.8354001528125,
"spacegroup": 12
},
{
"id": "jvasp-98142",
"created_at": "2022-09-04T14:35:58.386561Z",
"updated_at": "2022-09-04T14:35:58.386591Z",
"structure_string": "P4 C8 S8 N12\n1.0\n7.890883 -0.031217 -1.958312\n-1.141386 7.563352 -1.252845\n-0.131774 -0.008266 9.441139\nP C S N\n4 8 8 12\ndirect\n0.073566 0.257955 0.418186 P\n0.065641 0.464720 0.715268 P\n0.934359 0.535279 0.284731 P\n0.926433 0.742044 0.581814 P\n0.798646 -0.000669 0.269525 C\n0.201354 0.000668 0.730475 C\n0.578365 0.434527 0.185506 C\n0.069367 0.745303 0.122171 C\n0.417055 0.222675 0.470317 C\n0.930633 0.254696 0.877829 C\n0.421634 0.565471 0.814494 C\n0.582945 0.777324 0.529682 C\n0.620984 0.583889 0.844580 S\n0.615982 0.899273 0.178120 S\n0.379016 0.416109 0.155420 S\n0.384018 0.100726 0.821880 S\n0.617971 0.253239 0.518721 S\n0.382028 0.746760 0.481278 S\n0.179264 0.891799 0.075662 S\n0.820736 0.108199 0.924337 S\n0.732185 0.440147 0.205858 N\n0.052863 0.386976 0.303458 N\n0.951520 0.685117 0.422715 N\n0.261567 0.189992 0.431263 N\n0.978353 0.628274 0.150143 N\n0.048479 0.314882 0.577285 N\n0.943012 0.068048 0.340893 N\n0.056987 0.931950 0.659106 N\n0.738432 0.810006 0.568737 N\n0.947136 0.613023 0.696541 N\n0.267814 0.559852 0.794142 N\n0.021647 0.371725 0.849856 N\n",
"nsites": 32,
"nelements": 4,
"elements": [
"P",
"C",
"S",
"N"
],
"chemical_system": "C-N-P-S",
"density": 1.9077043393966018,
"density_atomic": 0.057034076815882136,
"volume": 561.0680804618379,
"volume_molar": 10.558846739013104,
"formula_full": "P4 C8 S8 N12",
"formula_reduced": "PC2S2N3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 5.00369440625,
"spacegroup": 2
},
{
"id": "jvasp-89179",
"created_at": "2022-09-04T14:36:04.756372Z",
"updated_at": "2022-09-04T14:36:04.756395Z",
"structure_string": "K4 Pd8 F20\n1.0\n6.104313 0.000000 0.000000\n0.000000 7.487439 0.000000\n0.000000 0.000000 10.727214\nK Pd F\n4 8 20\ndirect\n0.483793 0.750000 0.865531 K\n0.983793 0.750000 0.634468 K\n0.516206 0.250000 0.134468 K\n0.016207 0.250000 0.365532 K\n0.309556 0.750000 0.213755 Pd\n0.690444 0.250000 0.786245 Pd\n0.190444 0.250000 0.713755 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.809555 0.750000 0.286245 Pd\n0.179273 0.066910 0.579674 F\n0.679272 0.433090 0.920326 F\n0.820727 0.566910 0.420326 F\n0.320727 0.933090 0.079674 F\n0.708648 0.053829 0.661120 F\n0.549554 0.250000 0.399543 F\n0.049555 0.250000 0.100456 F\n0.679272 0.066910 0.920326 F\n0.179273 0.433090 0.579674 F\n0.320727 0.566910 0.079674 F\n0.820727 0.933090 0.420326 F\n0.208648 0.053829 0.838880 F\n0.708648 0.446172 0.661120 F\n0.791352 0.553829 0.161120 F\n0.291352 0.946172 0.338880 F\n0.791352 0.946172 0.161120 F\n0.291352 0.553829 0.338880 F\n0.208648 0.446172 0.838880 F\n0.950445 0.750000 0.899543 F\n0.450445 0.750000 0.600456 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Pd",
"F"
],
"chemical_system": "F-K-Pd",
"density": 4.699961545777555,
"density_atomic": 0.06526689355113219,
"volume": 490.294516237856,
"volume_molar": 9.226945595751483,
"formula_full": "K4 Pd8 F20",
"formula_reduced": "KPd2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.2482173893749999,
"spacegroup": 62
},
{
"id": "jvasp-91445",
"created_at": "2022-09-04T14:36:01.336465Z",
"updated_at": "2022-09-04T14:36:01.336491Z",
"structure_string": "Zn16 S16\n1.0\n3.841538 -0.000000 0.000000\n-1.920768 3.326870 -0.000000\n0.000000 -0.000000 50.226267\nZn S\n16 16\ndirect\n0.333333 0.666667 0.624979 Zn\n0.333333 0.666667 0.812378 Zn\n0.666667 0.333333 0.874934 Zn\n-0.000000 -0.000000 0.562495 Zn\n0.333333 0.666667 0.937521 Zn\n0.333333 0.666667 0.437506 Zn\n-0.000000 -0.000000 0.187558 Zn\n0.666667 0.333333 0.687455 Zn\n-0.000000 -0.000000 0.000053 Zn\n0.666667 0.333333 0.312518 Zn\n0.333333 0.666667 0.250034 Zn\n0.666667 0.333333 0.500002 Zn\n0.333333 0.666667 0.062651 Zn\n-0.000000 -0.000000 0.375010 Zn\n0.666667 0.333333 0.125091 Zn\n-0.000000 -0.000000 0.749923 Zn\n-0.000000 -0.000000 0.046990 S\n-0.000000 -0.000000 0.609348 S\n0.333333 0.666667 0.859211 S\n-0.000000 -0.000000 0.421867 S\n0.333333 0.666667 0.671829 S\n-0.000000 -0.000000 0.796765 S\n0.666667 0.333333 0.921867 S\n0.333333 0.666667 0.109476 S\n0.666667 0.333333 0.734301 S\n0.666667 0.333333 0.546859 S\n0.666667 0.333333 0.359373 S\n0.333333 0.666667 0.296886 S\n-0.000000 -0.000000 0.234407 S\n0.666667 0.333333 0.171936 S\n0.333333 0.666667 0.984335 S\n0.333333 0.666667 0.484363 S\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034465473441529,
"density_atomic": 0.04985148651090783,
"volume": 641.906635883329,
"volume_molar": 12.080162862710859,
"formula_full": "Zn16 S16",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 6.499999999998174e-05,
"spacegroup": 156
}
]
}