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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4626",
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"results": [
{
"id": "jvasp-29810",
"created_at": "2022-09-04T14:37:32.543078Z",
"updated_at": "2022-09-04T14:37:32.543086Z",
"structure_string": "Al8 H24 O24\n1.0\n8.794405 -0.087471 0.110378\n-0.051370 5.066547 0.029346\n0.114734 0.103252 9.349546\nAl H O\n8 24 24\ndirect\n0.332047 0.007640 0.487696 Al\n0.668191 0.011289 0.506502 Al\n0.839188 0.521484 0.507247 Al\n0.168941 0.503551 0.489216 Al\n0.828902 0.966659 0.009376 Al\n0.158363 0.017713 0.987647 Al\n0.329771 0.522404 0.984753 Al\n0.662813 0.459956 0.006411 Al\n0.459358 0.344693 0.203406 H\n0.541523 0.822311 0.884031 H\n0.696384 0.168596 0.795042 H\n0.401780 0.965151 0.100890 H\n0.389830 0.149424 0.819143 H\n0.789129 0.283730 0.219692 H\n0.107873 0.650137 0.814553 H\n0.013509 0.849176 0.209605 H\n0.607578 0.845913 0.182463 H\n0.080705 0.423602 0.122399 H\n0.964280 0.320729 0.885839 H\n0.811724 0.673551 0.798137 H\n0.264185 0.297919 0.278180 H\n0.613252 0.649807 0.694164 H\n0.988770 0.185420 0.380353 H\n0.484919 0.696215 0.376079 H\n0.482637 0.337267 0.615506 H\n0.199498 0.196234 0.699043 H\n0.029613 0.843317 0.611410 H\n0.596789 0.401238 0.369726 H\n0.304492 0.694963 0.697478 H\n0.891594 0.147546 0.679614 H\n0.233761 0.802749 0.274176 H\n0.791527 0.798970 0.298518 H\n0.191121 0.718791 0.872056 O\n0.984148 0.129945 0.884847 O\n0.800828 0.272760 0.114997 O\n0.823875 0.647465 0.901405 O\n0.175901 0.334638 0.097633 O\n0.315076 0.840831 0.092809 O\n0.670381 0.140967 0.897579 O\n0.514119 0.631704 0.883677 O\n0.478695 0.346349 0.099886 O\n0.004658 0.854482 0.105581 O\n0.687318 0.705394 0.618391 O\n0.822141 0.836544 0.397257 O\n0.192861 0.818798 0.373419 O\n0.808116 0.210856 0.621220 O\n0.323289 0.679663 0.593637 O\n0.693587 0.326548 0.394821 O\n0.177847 0.177596 0.596409 O\n0.490843 0.146031 0.603636 O\n0.507728 0.885290 0.380698 O\n-0.002123 0.377268 0.390909 O\n0.010589 0.651293 0.609539 O\n0.301817 0.221795 0.870094 O\n0.318464 0.324467 0.369343 O\n0.688204 0.764130 0.125238 O\n",
"nsites": 56,
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"elements": [
"Al",
"H",
"O"
],
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"density": 2.4881917534454896,
"density_atomic": 0.13446782269762664,
"volume": 416.4565088997191,
"volume_molar": 4.478499494664823,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4498619,
"spacegroup": 1
},
{
"id": "jvasp-22032",
"created_at": "2022-09-04T14:37:32.337558Z",
"updated_at": "2022-09-04T14:37:32.337583Z",
"structure_string": "Ca8 Al16 S32\n1.0\n11.300830 0.036544 -3.105786\n-6.531989 9.221887 -3.105786\n-0.027403 -0.053201 11.735959\nCa Al S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622976 0.872976 0.745951 Ca\n0.127025 0.377025 0.754049 Ca\n0.377025 0.127024 0.254049 Ca\n0.872975 0.622975 0.245950 Ca\n0.125000 0.875000 0.750000 Ca\n0.530445 0.638485 0.999800 Al\n0.638685 0.030644 0.500200 Al\n0.361515 0.469555 0.500200 Al\n0.969356 0.361315 0.999800 Al\n0.887611 0.864776 0.998899 Al\n0.361315 0.969356 0.499800 Al\n0.638485 0.530445 0.499800 Al\n0.030645 0.638685 0.000200 Al\n0.865877 0.388711 0.501100 Al\n0.135224 0.112389 0.501101 Al\n0.611289 0.134123 0.998899 Al\n0.112389 0.135224 0.001100 Al\n0.134124 0.611289 0.498899 Al\n0.864776 0.887611 0.498899 Al\n0.469555 0.361515 0.000200 Al\n0.388712 0.865877 0.001100 Al\n0.915455 0.415197 0.828839 S\n0.413385 0.413642 0.828839 S\n0.584803 0.084545 0.671161 S\n0.652515 0.340773 0.997787 S\n0.342988 0.154729 0.502213 S\n0.657012 0.845271 0.497786 S\n0.845271 0.657012 0.997786 S\n0.347485 0.659227 0.002213 S\n0.340774 0.652515 0.497787 S\n0.154729 0.342988 0.002213 S\n0.659227 0.347485 0.502213 S\n0.586358 0.586616 0.671161 S\n0.586616 0.586358 0.171160 S\n0.084545 0.584803 0.171161 S\n0.316353 0.155773 0.001831 S\n0.153941 0.814523 0.498169 S\n0.844227 0.683647 0.498169 S\n0.185478 0.846059 0.001831 S\n0.683647 0.844227 0.998169 S\n0.846059 0.185477 0.501830 S\n0.155773 0.316353 0.501831 S\n0.415197 0.915455 0.328839 S\n0.814522 0.153941 0.998169 S\n0.084145 0.083535 0.169924 S\n0.585779 0.086389 0.169923 S\n0.086389 0.585779 0.669924 S\n0.915855 0.916465 0.830076 S\n0.414221 0.913611 0.830076 S\n0.083535 0.084145 0.669924 S\n0.413642 0.413384 0.328839 S\n0.913611 0.414221 0.330076 S\n0.916465 0.915855 0.330076 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ca",
"Al",
"S"
],
"chemical_system": "Al-Ca-S",
"density": 2.4163573752979923,
"density_atomic": 0.04582141976177602,
"volume": 1222.1358546099634,
"volume_molar": 13.142632400543027,
"formula_full": "Ca8 Al16 S32",
"formula_reduced": "Ca(AlS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4873665742857145,
"spacegroup": 70
},
{
"id": "jvasp-22033",
"created_at": "2022-09-04T14:37:32.957517Z",
"updated_at": "2022-09-04T14:37:32.957541Z",
"structure_string": "Ca8 Ga16 S32\n1.0\n11.341124 0.015419 -3.149712\n-6.541787 9.264252 -3.149712\n-0.014293 -0.027637 11.761278\nCa Ga S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622711 0.872711 0.745425 Ca\n0.127288 0.377288 0.754575 Ca\n0.377288 0.127288 0.254575 Ca\n0.872711 0.622712 0.245425 Ca\n0.886295 0.863063 0.998830 Ga\n0.531823 0.641004 0.999655 Ga\n0.358995 0.468177 0.500345 Ga\n0.641349 0.032168 0.500345 Ga\n0.468177 0.358995 0.000345 Ga\n0.358650 0.967832 0.499655 Ga\n0.641004 0.531823 0.499655 Ga\n0.032168 0.641349 0.000345 Ga\n0.387466 0.864234 0.001170 Ga\n0.863063 0.886296 0.498830 Ga\n0.135766 0.612534 0.498830 Ga\n0.113704 0.136936 0.001170 Ga\n0.612534 0.135766 0.998830 Ga\n0.136936 0.113704 0.501170 Ga\n0.967832 0.358650 0.999655 Ga\n0.864233 0.387466 0.501170 Ga\n0.087672 0.587345 0.672284 S\n0.084612 0.084939 0.672284 S\n0.412655 0.912328 0.827716 S\n0.915060 0.915387 0.827716 S\n0.815512 0.149330 0.997496 S\n0.084939 0.084612 0.172284 S\n0.151835 0.318016 0.502505 S\n0.850669 0.184488 0.502505 S\n0.681983 0.848165 0.997496 S\n0.184488 0.850670 0.002505 S\n0.848165 0.681983 0.497496 S\n0.149330 0.815512 0.497495 S\n0.318016 0.151835 0.002505 S\n0.159484 0.346509 0.002673 S\n0.343837 0.656811 0.497328 S\n0.653490 0.840516 0.497328 S\n0.343188 0.656162 0.002673 S\n0.587345 0.087672 0.172284 S\n0.840516 0.653490 0.997328 S\n0.346509 0.159484 0.502673 S\n0.656811 0.343837 0.997328 S\n0.585511 0.085177 0.673360 S\n0.411818 0.412150 0.826641 S\n0.914822 0.414489 0.826641 S\n0.587849 0.588182 0.673360 S\n0.414489 0.914822 0.326641 S\n0.588182 0.587849 0.173360 S\n0.085177 0.585511 0.173359 S\n0.412150 0.411818 0.326641 S\n0.912328 0.412655 0.327716 S\n0.656162 0.343189 0.502673 S\n0.915387 0.915060 0.327716 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"S"
],
"chemical_system": "Ca-Ga-S",
"density": 3.310859338095854,
"density_atomic": 0.04534648547106016,
"volume": 1234.9358372158488,
"volume_molar": 13.28028114514694,
"formula_full": "Ca8 Ga16 S32",
"formula_reduced": "Ca(GaS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8458850099999999,
"spacegroup": 70
},
{
"id": "jvasp-22035",
"created_at": "2022-09-04T14:37:36.072589Z",
"updated_at": "2022-09-04T14:37:36.072614Z",
"structure_string": "Sr8 Ga16 S32\n1.0\n11.598408 0.015575 -3.104224\n-6.741207 9.438190 -3.104224\n-0.020966 -0.040807 12.123452\nSr Ga S\n8 16 32\ndirect\n0.875000 0.124999 0.250000 Sr\n0.873064 0.623064 0.246131 Sr\n0.376935 0.126935 0.253870 Sr\n0.126935 0.376935 0.753869 Sr\n0.124999 0.875000 0.750000 Sr\n0.624999 0.374999 0.750000 Sr\n0.375000 0.625000 0.250000 Sr\n0.623064 0.873064 0.746131 Sr\n0.888141 0.863131 0.998955 Ga\n0.864177 0.389187 0.501045 Ga\n0.136868 0.111858 0.501045 Ga\n0.610812 0.135822 0.998955 Ga\n0.111858 0.136868 0.001045 Ga\n0.135822 0.610812 0.498955 Ga\n0.389187 0.864178 0.001045 Ga\n0.863131 0.888141 0.498956 Ga\n0.360064 0.467926 0.500368 Ga\n0.967558 0.359696 0.999632 Ga\n0.467927 0.360064 0.000368 Ga\n0.359696 0.967559 0.499633 Ga\n0.639935 0.532073 0.499632 Ga\n0.032441 0.640303 0.000368 Ga\n0.532072 0.639935 0.999632 Ga\n0.640303 0.032440 0.500368 Ga\n0.084476 0.583780 0.665881 S\n0.081404 0.082101 0.665881 S\n0.416219 0.915523 0.834119 S\n0.917898 0.918595 0.834119 S\n0.812432 0.154590 0.997839 S\n0.082101 0.081404 0.165881 S\n0.156751 0.314594 0.502161 S\n0.845409 0.187566 0.502161 S\n0.685404 0.843248 0.997839 S\n0.187567 0.845410 0.002161 S\n0.843248 0.685405 0.497839 S\n0.154590 0.812433 0.497839 S\n0.314595 0.156751 0.002161 S\n0.152390 0.341622 0.002171 S\n0.339450 0.650219 0.497829 S\n0.658378 0.847609 0.497829 S\n0.349780 0.660549 0.002171 S\n0.583780 0.084476 0.165881 S\n0.847609 0.658378 0.997829 S\n0.341621 0.152390 0.502171 S\n0.650219 0.339450 0.997829 S\n0.582159 0.082245 0.666502 S\n0.415742 0.415656 0.833497 S\n0.917754 0.417840 0.833498 S\n0.584342 0.584256 0.666503 S\n0.417840 0.917754 0.333498 S\n0.584257 0.584343 0.166503 S\n0.082245 0.582159 0.166503 S\n0.415657 0.415743 0.333498 S\n0.915523 0.416219 0.334119 S\n0.660549 0.349780 0.502171 S\n0.918595 0.917899 0.334120 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
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"Ga",
"S"
],
"chemical_system": "Ga-S-Sr",
"density": 3.5612084212466573,
"density_atomic": 0.04224928341044348,
"volume": 1325.4662678173972,
"volume_molar": 14.253829352550401,
"formula_full": "Sr8 Ga16 S32",
"formula_reduced": "Sr(GaS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 70
},
{
"id": "jvasp-104023",
"created_at": "2022-09-04T14:36:59.562359Z",
"updated_at": "2022-09-04T14:36:59.562377Z",
"structure_string": "H36 C20\n1.0\n10.993244 0.000000 -3.445269\n0.000000 4.748458 0.000000\n0.084672 0.000000 8.444876\nH C\n36 20\ndirect\n0.544781 0.343345 0.734874 H\n0.865445 0.292454 0.591191 H\n0.134555 0.707546 0.408809 H\n0.134555 0.792454 0.908809 H\n0.865445 0.207546 0.091191 H\n0.931671 0.032626 0.739039 H\n0.068329 0.967374 0.260961 H\n0.068329 0.532626 0.760962 H\n0.879250 0.969043 0.362712 H\n0.120749 0.030958 0.637288 H\n0.120750 0.469043 0.137288 H\n0.879250 0.530958 0.862712 H\n0.945612 0.706793 0.509054 H\n0.054387 0.293208 0.490946 H\n0.054387 0.206792 0.990946 H\n0.945613 0.793208 0.009054 H\n0.756827 0.790426 0.118450 H\n0.243172 0.209574 0.881550 H\n0.931671 0.467374 0.239038 H\n0.756827 0.709574 0.618450 H\n0.243172 0.290426 0.381550 H\n0.455218 0.656655 0.265126 H\n0.455218 0.843345 0.765126 H\n0.544781 0.156655 0.234874 H\n0.543888 0.273121 0.518490 H\n0.456111 0.773121 0.981510 H\n0.543888 0.226879 0.018490 H\n0.725846 0.045783 0.835976 H\n0.456112 0.726879 0.481510 H\n0.274153 0.954218 0.164024 H\n0.274153 0.545783 0.664024 H\n0.725846 0.454218 0.335976 H\n0.692156 0.958233 0.461452 H\n0.307843 0.041768 0.538548 H\n0.307843 0.458233 0.038547 H\n0.692156 0.541768 0.961453 H\n0.252254 0.437321 0.908913 C\n0.937209 0.936948 0.490504 C\n0.874364 0.437248 0.110762 C\n0.125635 0.562752 0.889238 C\n0.125635 0.937248 0.389238 C\n0.874364 0.062752 0.610762 C\n0.747745 0.562679 0.091087 C\n0.062790 0.063053 0.509496 C\n0.252254 0.062679 0.408913 C\n0.413093 0.759953 0.349717 C\n0.685061 0.422659 0.202907 C\n0.314938 0.577341 0.797093 C\n0.314938 0.922659 0.297093 C\n0.685061 0.077341 0.702907 C\n0.586906 0.259953 0.150283 C\n0.413093 0.740048 0.849717 C\n0.586906 0.240047 0.650283 C\n0.062790 0.436947 0.009496 C\n0.747745 0.937321 0.591087 C\n0.937209 0.563053 0.990504 C\n",
"nsites": 56,
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"elements": [
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"C"
],
"chemical_system": "C-H",
"density": 1.0382685627724013,
"density_atomic": 0.126634998521557,
"volume": 442.2158222749705,
"volume_molar": 4.7555105857839575,
"formula_full": "H36 C20",
"formula_reduced": "H9C5",
"formula_anonymous": "A5B9",
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"spacegroup": 14
},
{
"id": "jvasp-29851",
"created_at": "2022-09-04T14:37:09.946013Z",
"updated_at": "2022-09-04T14:37:09.946034Z",
"structure_string": "Al8 H24 O24\n1.0\n8.696277 0.119126 0.157301\n0.068797 5.079924 0.028779\n0.164805 0.052175 9.258694\nAl H O\n8 24 24\ndirect\n0.840452 0.033829 0.510447 Al\n0.340393 0.468694 0.483599 Al\n0.153013 0.500124 0.990630 Al\n0.666681 0.017401 0.017813 Al\n0.170786 0.981261 0.486849 Al\n0.669731 0.534374 0.510679 Al\n0.814173 0.494408 0.021047 Al\n0.335982 0.010762 0.983181 Al\n0.381669 0.643943 0.811500 H\n0.309090 0.167246 0.697556 H\n0.787154 0.322717 0.299852 H\n0.698017 0.714731 0.801705 H\n0.415358 0.369886 0.117322 H\n0.597814 0.987415 0.392435 H\n0.184982 0.668396 0.696416 H\n0.778760 0.817121 0.230556 H\n0.802340 0.210049 0.801915 H\n0.208563 0.790629 0.218763 H\n0.612846 0.161087 0.686742 H\n0.059878 0.911577 0.133760 H\n0.103299 0.144199 0.815354 H\n0.234865 0.277770 0.271607 H\n0.981344 0.681338 0.384823 H\n0.519058 0.337978 0.878507 H\n0.004243 0.353409 0.218981 H\n0.564323 0.358152 0.283203 H\n0.456228 0.825683 0.611839 H\n0.514220 0.682087 0.111546 H\n0.962551 0.836250 0.891502 H\n0.890161 0.653308 0.686658 H\n0.395291 0.847663 0.302039 H\n0.034874 0.336424 0.608000 H\n0.175788 0.652060 0.591777 O\n0.199097 0.288240 0.374369 O\n0.684445 0.862308 0.406664 O\n0.164155 0.826557 0.117047 O\n0.672466 0.691899 0.905384 O\n0.829371 0.354706 0.396466 O\n0.332001 0.143287 0.593719 O\n0.303666 0.702872 0.885032 O\n0.806444 0.814223 0.126060 O\n0.699356 0.233285 0.629533 O\n0.659580 0.323413 0.127025 O\n0.016671 0.145726 0.611079 O\n0.307519 0.779240 0.360764 O\n0.809852 0.724673 0.624525 O\n0.985518 0.645146 0.893428 O\n0.481977 0.869587 0.114166 O\n0.525290 0.372790 0.387983 O\n0.998539 0.362680 0.113651 O\n0.507917 0.145993 0.882394 O\n0.996613 0.872060 0.389433 O\n0.481765 0.634538 0.612175 O\n0.309554 0.315362 0.099734 O\n0.185688 0.201661 0.876986 O\n0.825283 0.180906 0.904605 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
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"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.534815290243726,
"density_atomic": 0.13698746993584296,
"volume": 408.7965127484081,
"volume_molar": 4.396125253514372,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.452403328571429,
"spacegroup": 1
},
{
"id": "jvasp-29489",
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