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=88",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=86",
"results": [
{
"id": "jvasp-34831",
"created_at": "2022-09-04T14:36:39.030777Z",
"updated_at": "2022-09-04T14:36:39.030809Z",
"structure_string": "Li2 Cu2 P2 O8 F2\n1.0\n5.194281 -0.015262 -0.012167\n-0.742099 5.135879 0.000317\n-2.350799 -2.124288 6.430416\nLi Cu P O F\n2 2 2 8 2\ndirect\n0.432169 0.075784 0.803086 Li\n0.567830 0.924216 0.196915 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.879273 0.543654 0.238063 P\n0.120726 0.456346 0.761938 P\n0.175460 0.310862 0.930751 O\n0.328928 0.355405 0.660230 O\n0.671072 0.644595 0.339770 O\n0.816314 0.353997 0.600122 O\n0.824540 0.689138 0.069249 O\n0.183685 0.646003 0.399878 O\n0.219258 0.772065 0.867949 O\n0.780742 0.227935 0.132052 O\n0.684693 0.895335 0.742497 F\n0.315307 0.104665 0.257504 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Cu",
"P",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O-P",
"density": 3.5759443116670613,
"density_atomic": 0.09339788639954891,
"volume": 171.3100865211579,
"volume_molar": 6.447834091488697,
"formula_full": "Li2 Cu2 P2 O8 F2",
"formula_reduced": "LiCuPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.6213800290625,
"spacegroup": 2
},
{
"id": "jvasp-52575",
"created_at": "2022-09-04T14:35:40.985622Z",
"updated_at": "2022-09-04T14:35:40.985645Z",
"structure_string": "Ca2 Cu1 B2 H12 O12\n1.0\n-5.666363 -0.029947 0.002197\n-0.048046 -5.675248 0.053410\n2.687787 0.930102 7.548789\nCa Cu B H O\n2 1 2 12 12\ndirect\n0.777064 0.502947 0.760496 Ca\n0.222936 0.497054 0.239504 Ca\n0.000000 0.000000 0.000000 Cu\n0.249112 0.280522 0.590742 B\n0.750888 0.719480 0.409259 B\n0.517240 0.011753 0.386642 H\n0.957762 0.959068 0.631484 H\n0.792620 0.775178 0.170836 H\n0.308638 0.707553 0.956998 H\n0.190138 0.639247 0.619436 H\n0.556472 0.941055 0.894184 H\n0.691361 0.292449 0.043003 H\n0.207380 0.224824 0.829165 H\n0.443528 0.058946 0.105817 H\n0.042238 0.040933 0.368516 H\n0.482759 -0.011752 0.613359 H\n0.809862 0.360754 0.380564 H\n0.901839 0.789076 0.596547 O\n0.678898 0.823318 0.946191 O\n0.149456 0.691154 0.978467 O\n0.324055 0.532897 0.604462 O\n0.675945 0.467105 0.395538 O\n0.098161 0.210925 0.403454 O\n0.321102 0.176684 0.053810 O\n0.096817 0.239809 0.704561 O\n0.489946 0.158538 0.649434 O\n0.903183 0.760192 0.295439 O\n0.850544 0.308847 0.021535 O\n0.510054 0.841464 0.350567 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Ca",
"Cu",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-Cu-H-O",
"density": 2.5238163680896077,
"density_atomic": 0.11931514133542111,
"volume": 243.0538125791983,
"volume_molar": 5.047256108988244,
"formula_full": "Ca2 Cu1 B2 H12 O12",
"formula_reduced": "Ca2CuB2(HO)12",
"formula_anonymous": "AB2C2D12E12",
"energy_above_hull": 2.9331413260919543,
"spacegroup": 2
},
{
"id": "jvasp-96950",
"created_at": "2022-09-04T14:36:33.477992Z",
"updated_at": "2022-09-04T14:36:33.478020Z",
"structure_string": "Na4 Mg2 H16 S4 O24\n1.0\n5.347444 0.000000 -0.998922\n0.000000 8.213124 0.000000\n0.077725 0.000000 11.101415\nNa Mg H S O\n4 2 16 4 24\ndirect\n0.878855 0.577910 0.136305 Na\n0.878855 0.922089 0.636305 Na\n0.121145 0.077910 0.363695 Na\n0.121145 0.422089 0.863695 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.783819 0.359269 0.659936 H\n0.235957 0.719400 0.011070 H\n0.333547 0.701175 0.638240 H\n0.333547 0.798825 0.138241 H\n0.666454 0.201175 0.861759 H\n0.767596 0.946497 0.183464 H\n0.235958 0.780600 0.511069 H\n0.666453 0.298825 0.361759 H\n0.232404 0.446497 0.316536 H\n0.216182 0.859268 0.840063 H\n0.216182 0.640731 0.340064 H\n0.764043 0.280600 0.988930 H\n0.783818 0.140731 0.159936 H\n0.764042 0.219400 0.488930 H\n0.767596 0.553503 0.683464 H\n0.232404 0.053503 0.816536 H\n0.382086 0.291743 0.136255 S\n0.617914 0.708257 0.863745 S\n0.617913 0.791742 0.363745 S\n0.382087 0.208257 0.636255 S\n0.684008 0.863217 0.929456 O\n0.684008 0.636782 0.429456 O\n0.315992 0.363217 0.570543 O\n0.179884 0.713066 0.575287 O\n0.179883 0.786933 0.075287 O\n0.639422 0.726546 0.731277 O\n0.820116 0.286934 0.424712 O\n0.878880 0.463788 0.664311 O\n0.315992 0.136782 0.070544 O\n0.778243 0.925249 0.419505 O\n0.221757 0.425249 0.080494 O\n0.121121 0.963787 0.835689 O\n0.360578 0.273453 0.268723 O\n0.650746 0.171571 0.632162 O\n0.650746 0.328429 0.132162 O\n0.360578 0.226546 0.768723 O\n0.639422 0.773453 0.231277 O\n0.878880 0.036212 0.164311 O\n0.221757 0.074751 0.580494 O\n0.121120 0.536212 0.335689 O\n0.349254 0.828429 0.367838 O\n0.778243 0.574750 0.919505 O\n0.349255 0.671570 0.867838 O\n0.820117 0.213066 0.924712 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Na",
"Mg",
"H",
"S",
"O"
],
"chemical_system": "H-Mg-Na-O-S",
"density": 2.2752901221288884,
"density_atomic": 0.10241637678858442,
"volume": 488.20317187371074,
"volume_molar": 5.880056441003919,
"formula_full": "Na4 Mg2 H16 S4 O24",
"formula_reduced": "Na2MgH8(SO6)2",
"formula_anonymous": "AB2C2D8E12",
"energy_above_hull": 2.546592362,
"spacegroup": 14
},
{
"id": "jvasp-29181",
"created_at": "2022-09-04T14:35:43.214295Z",
"updated_at": "2022-09-04T14:35:43.214325Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.418333 0.000000 0.000000\n-1.709167 2.960378 -0.000226\n0.000000 -0.003085 40.219834\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333425 0.666854 0.705971 Te\n0.666595 0.333192 0.421006 Te\n0.666635 0.333271 0.514531 Te\n0.333363 0.666731 0.612852 Te\n0.333326 0.666654 0.093915 Mo\n0.333265 0.666533 0.467812 W\n0.666661 0.333322 0.281621 W\n0.666734 0.333469 0.659692 W\n0.666649 0.333300 0.053387 Se\n0.666697 0.333395 0.134643 Se\n0.333340 0.666684 0.319028 S\n0.333302 0.666606 0.244288 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.629865926754004,
"density_atomic": 0.029483527258348942,
"volume": 407.0069328832398,
"volume_molar": 20.425442000989527,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.039876975,
"spacegroup": 156
},
{
"id": "jvasp-48295",
"created_at": "2022-09-04T14:36:31.792529Z",
"updated_at": "2022-09-04T14:36:31.792549Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n4.660981 4.100991 -0.018650\n-4.660981 4.100991 0.018650\n-2.703889 0.000000 5.875068\nLi Mn P H O\n1 1 3 1 10\ndirect\n-0.110124 -0.110124 0.500000 Li\n0.679373 0.679373 -0.000000 Mn\n0.202683 0.560661 0.088634 P\n0.580768 0.580768 0.500000 P\n0.560661 0.202683 0.911366 P\n0.230922 0.230922 0.000000 H\n0.357236 0.673249 0.937732 O\n0.699550 0.990655 -0.001285 O\n0.618939 0.754574 0.628206 O\n0.326187 0.595520 0.339255 O\n0.305865 0.166869 0.877747 O\n0.166869 0.305865 0.122253 O\n0.595520 0.326187 0.660745 O\n0.754574 0.618939 0.371794 O\n0.990655 0.699550 0.001285 O\n0.673249 0.357236 0.062268 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.3391377904379076,
"density_atomic": 0.07136930075297902,
"volume": 224.186027202069,
"volume_molar": 8.437998826475303,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.0363817963362068,
"spacegroup": 5
},
{
"id": "jvasp-86626",
"created_at": "2022-09-04T14:36:18.444100Z",
"updated_at": "2022-09-04T14:36:18.444119Z",
"structure_string": "Sc1 Cr2 Ag1 H4 O10\n1.0\n5.626055 0.004443 -0.028490\n-2.800996 4.923245 -2.129153\n-0.012480 -0.033934 7.320560\nSc Cr Ag H O\n1 2 1 4 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.637338 0.236744 0.317790 Cr\n0.362663 0.763257 0.682210 Cr\n0.000000 0.000000 0.500000 Ag\n0.240193 0.490953 0.955677 H\n0.702708 0.436454 0.800378 H\n0.759807 0.509048 0.044324 H\n0.297292 0.563547 0.199623 H\n0.167363 0.918448 0.742528 O\n0.779378 0.580335 0.938814 O\n0.220622 0.419666 0.061187 O\n0.608387 0.298043 0.548987 O\n0.832637 0.081553 0.257473 O\n0.677713 0.966965 0.828898 O\n0.322288 0.033036 0.171103 O\n0.211403 0.475646 0.712303 O\n0.788597 0.524355 0.287698 O\n0.391614 0.701958 0.451014 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sc",
"Cr",
"Ag",
"H",
"O"
],
"chemical_system": "Ag-Cr-H-O-Sc",
"density": 3.451865413692126,
"density_atomic": 0.08891153578253475,
"volume": 202.4484206866643,
"volume_molar": 6.773182700082157,
"formula_full": "Sc1 Cr2 Ag1 H4 O10",
"formula_reduced": "ScCr2Ag(H2O5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 3.137867906111111,
"spacegroup": 2
},
{
"id": "jvasp-98386",
"created_at": "2022-09-04T14:36:18.246953Z",
"updated_at": "2022-09-04T14:36:18.246988Z",
"structure_string": "K4 Co2 H24 S4 O28\n1.0\n6.120138 -0.007297 0.000000\n-2.210542 8.661828 0.000000\n0.000000 0.000000 12.016664\nK Co H S O\n4 2 24 4 28\ndirect\n0.344087 0.136242 0.337947 K\n0.655913 0.363758 0.837947 K\n0.655913 0.863758 0.662053 K\n0.344088 0.636242 0.162053 K\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.676679 0.280279 0.585495 H\n0.676679 0.780279 0.914504 H\n0.323322 0.719721 0.414505 H\n0.091005 0.256362 0.122717 H\n0.908995 0.243637 0.622717 H\n0.908996 0.743637 0.877283 H\n0.091005 0.756363 0.377283 H\n0.927407 0.727252 0.101200 H\n0.072594 0.772748 0.601200 H\n0.072594 0.272748 0.898799 H\n-0.000518 0.643561 0.694269 H\n0.000519 0.856439 0.194269 H\n0.323322 0.219721 0.085495 H\n-0.000519 0.143561 0.805731 H\n0.000519 0.356439 0.305731 H\n0.340599 0.896472 0.942132 H\n0.659402 0.603528 0.442132 H\n0.659401 0.103528 0.057868 H\n0.340599 0.396472 0.557868 H\n0.334153 0.028512 0.853210 H\n0.665848 0.471488 0.353211 H\n0.927407 0.227252 0.398800 H\n0.665848 0.971488 0.146789 H\n0.334153 0.528512 0.646789 H\n0.722285 0.413988 0.130358 S\n0.277716 0.086012 0.630357 S\n0.277716 0.586012 0.869642 S\n0.722285 0.913988 0.369642 S\n0.831136 0.827983 0.886055 O\n0.572185 0.410295 0.229241 O\n0.427816 0.089705 0.729241 O\n0.427816 0.589705 0.770758 O\n0.572185 0.910295 0.270759 O\n0.745228 0.560574 0.068410 O\n0.254773 0.939426 0.568410 O\n0.254772 0.439426 0.931590 O\n0.745228 0.060574 0.431590 O\n0.614244 0.282224 0.055880 O\n0.385757 0.217776 0.555880 O\n0.385757 0.717776 0.944120 O\n0.614244 0.782224 0.444120 O\n0.948790 0.397754 0.167878 O\n0.051211 0.102246 0.667877 O\n0.051211 0.602246 0.832122 O\n0.948790 0.897754 0.332122 O\n0.168864 0.172017 0.113945 O\n0.831136 0.327983 0.613945 O\n0.299525 0.496556 0.567829 O\n0.700476 0.003444 0.067829 O\n0.700476 0.503444 0.432171 O\n0.299525 0.996556 0.932171 O\n0.039418 0.326751 0.381534 O\n0.960582 0.173249 0.881534 O\n0.960582 0.673249 0.618466 O\n0.168865 0.672017 0.386055 O\n0.039418 0.826751 0.118466 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"S",
"O"
],
"chemical_system": "Co-H-K-O-S",
"density": 2.280774772468555,
"density_atomic": 0.09735744498770561,
"volume": 636.8285446257286,
"volume_molar": 6.185598606003354,
"formula_full": "K4 Co2 H24 S4 O28",
"formula_reduced": "K2CoH12(SO7)2",
"formula_anonymous": "AB2C2D12E14",
"energy_above_hull": 2.859995351612903,
"spacegroup": 14
},
{
"id": "jvasp-61862",
"created_at": "2022-09-04T14:36:18.779800Z",
"updated_at": "2022-09-04T14:36:18.779841Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842749 0.004017\n7.642463 0.000000 0.000000\n0.000000 -0.030450 -9.706724\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991967 0.393734 0.836438 Ca\n0.008033 0.893734 0.663561 Ca\n0.008033 0.606266 0.163561 Ca\n0.991967 0.106266 0.336439 Ca\n0.529252 0.732420 0.915934 Si\n0.470749 0.232420 0.584065 Si\n0.470749 0.267579 0.084065 Si\n0.529251 0.767579 0.415935 Si\n0.428438 0.911363 0.159018 B\n0.571562 0.411363 0.340982 B\n0.571562 0.088637 0.840982 B\n0.428438 0.588637 0.659017 B\n0.810024 0.535200 0.577336 H\n0.189976 0.035200 0.922663 H\n0.810024 0.964800 0.077336 H\n0.189976 0.464800 0.422664 H\n0.678290 0.335260 0.211214 O\n0.260998 0.413722 0.336700 O\n0.739002 0.913721 0.163299 O\n0.687365 0.588984 0.354292 O\n0.312635 0.088984 0.145708 O\n0.312635 0.411016 0.645707 O\n0.687365 0.911015 0.854292 O\n0.321711 0.835259 0.288786 O\n0.678290 0.164740 0.711214 O\n0.241713 0.095466 0.535982 O\n0.325923 0.697587 0.542357 O\n0.674078 0.197587 0.957642 O\n0.674078 0.302413 0.457642 O\n0.325922 0.802413 0.042357 O\n0.758288 0.904534 0.464017 O\n0.241713 0.404534 0.035982 O\n0.260998 0.086278 0.836700 O\n0.758288 0.595466 0.964017 O\n0.321711 0.664740 0.788786 O\n0.739002 0.586278 0.663299 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9578517639127293,
"density_atomic": 0.10020874999991972,
"volume": 359.250065488581,
"volume_molar": 6.0095957289207025,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-86808",
"created_at": "2022-09-04T14:36:17.601771Z",
"updated_at": "2022-09-04T14:36:17.601789Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.033339 0.000000 -0.234807\n0.000000 6.187904 0.000000\n0.007253 0.000000 9.058915\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718625 0.560900 0.126745 H\n0.363893 0.706597 0.049848 H\n0.281795 0.352798 0.873335 H\n0.281375 0.060901 0.873255 H\n0.636107 0.206597 0.950152 H\n0.718205 0.852797 0.126665 H\n0.138933 0.706757 0.584916 Au\n0.861067 0.206758 0.415084 Au\n0.677090 0.206757 0.605934 C\n0.322909 0.706757 0.394066 C\n0.434616 0.206763 0.863073 C\n0.565383 0.706763 0.136927 C\n0.430056 0.706756 0.277481 N\n0.569943 0.206756 0.722519 N\n0.079239 0.206760 0.186961 Cl\n0.920760 0.706759 0.813039 Cl\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"Au",
"C",
"N",
"Cl"
],
"chemical_system": "Au-C-Cl-H-N",
"density": 4.01685752782935,
"density_atomic": 0.07076447067230043,
"volume": 226.10216465962958,
"volume_molar": 8.510119135756169,
"formula_full": "H6 Au2 C4 N2 Cl2",
"formula_reduced": "H3AuC2NCl",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 3.7018793609375,
"spacegroup": 11
},
{
"id": "jvasp-61086",
"created_at": "2022-09-04T14:36:16.728375Z",
"updated_at": "2022-09-04T14:36:16.728404Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842615 0.003450\n7.642579 0.000000 0.000000\n0.000000 -0.031377 -9.706487\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991979 0.393731 0.836442 Ca\n0.008019 0.893731 0.663558 Ca\n0.008019 0.606269 0.163558 Ca\n0.991980 0.106269 0.336442 Ca\n0.529260 0.732421 0.915934 Si\n0.470738 0.232421 0.584066 Si\n0.470738 0.267579 0.084066 Si\n0.529261 0.767579 0.415934 Si\n0.428421 0.911365 0.159023 B\n0.571578 0.411365 0.340977 B\n0.571577 0.088635 0.840977 B\n0.428421 0.588635 0.659023 B\n0.810012 0.535144 0.577359 H\n0.189986 0.035144 0.922642 H\n0.810013 0.964856 0.077359 H\n0.189986 0.464856 0.422641 H\n0.678301 0.335258 0.211208 O\n0.261009 0.413738 0.336691 O\n0.738989 0.913738 0.163309 O\n0.687375 0.588991 0.354287 O\n0.312623 0.088991 0.145713 O\n0.312623 0.411009 0.645713 O\n0.687375 0.911009 0.854287 O\n0.321698 0.835258 0.288792 O\n0.678301 0.164742 0.711208 O\n0.241713 0.095458 0.535989 O\n0.325913 0.697575 0.542354 O\n0.674085 0.197575 0.957646 O\n0.674086 0.302425 0.457646 O\n0.325913 0.802425 0.042354 O\n0.758285 0.904542 0.464011 O\n0.241713 0.404542 0.035989 O\n0.261009 0.086262 0.836691 O\n0.758285 0.595458 0.964012 O\n0.321697 0.664742 0.788792 O\n0.738989 0.586262 0.663309 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9579600516932367,
"density_atomic": 0.10021241867028965,
"volume": 359.23691372467647,
"volume_molar": 6.009375723994382,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-43156",
"created_at": "2022-09-04T14:36:16.787406Z",
"updated_at": "2022-09-04T14:36:16.787423Z",
"structure_string": "Li4 Cr3 Sn3 Sb2 O16\n1.0\n6.147617 -0.021813 0.033715\n-3.092700 5.356767 -0.000010\n0.052603 0.030356 10.106848\nLi Cr Sn Sb O\n4 3 3 2 16\ndirect\n0.345584 0.672807 0.891477 Li\n0.977576 0.988798 0.991164 Li\n0.980697 0.990357 0.499888 Li\n0.669474 0.334747 0.397357 Li\n0.661427 0.830725 0.215451 Cr\n0.832331 0.661927 0.717082 Cr\n0.832330 0.170427 0.717081 Cr\n0.167884 0.336105 0.215753 Sn\n0.335745 0.167884 0.716401 Sn\n0.167887 0.831807 0.215754 Sn\n0.345146 0.672584 0.506042 Sb\n0.679874 0.339950 0.988910 Sb\n0.305526 0.152771 0.093724 O\n0.840804 0.699023 0.103228 O\n0.678238 0.339128 0.611259 O\n0.526649 0.032377 0.833351 O\n0.526651 0.494299 0.833352 O\n0.693463 0.846740 0.613711 O\n0.497365 0.522269 0.325840 O\n0.017976 0.509003 0.331686 O\n0.143951 0.303076 0.602296 O\n0.987662 0.993845 0.813044 O\n0.987045 0.993538 0.318450 O\n0.344356 0.672185 0.103779 O\n0.972258 0.486142 0.820392 O\n0.143949 0.840895 0.602296 O\n0.497363 0.975119 0.325843 O\n0.840798 0.141799 0.103229 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Sn",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb-Sn",
"density": 5.196496090133481,
"density_atomic": 0.08430238791198598,
"volume": 332.1376854619204,
"volume_molar": 7.143499619829608,
"formula_full": "Li4 Cr3 Sn3 Sb2 O16",
"formula_reduced": "Li4Cr3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.6908098392857145,
"spacegroup": 8
},
{
"id": "jvasp-97944",
"created_at": "2022-09-04T14:36:16.242396Z",
"updated_at": "2022-09-04T14:36:16.242425Z",
"structure_string": "Y1 H16 C4 N9 O16\n1.0\n3.163144 10.546568 -0.524852\n-3.163144 10.546568 0.524852\n0.414501 0.000000 6.230291\nY H C N O\n1 16 4 9 16\ndirect\n-0.017758 0.017758 0.979792 Y\n0.700718 0.937441 0.015793 H\n0.062559 0.299282 0.015793 H\n0.896147 0.031604 0.509226 H\n0.968396 0.103853 0.509226 H\n0.547285 0.330079 0.750888 H\n0.576408 0.648326 0.280645 H\n0.351674 0.423592 0.280645 H\n0.669921 0.452715 0.750888 H\n0.297426 0.339177 0.179247 H\n0.169614 0.614601 0.969189 H\n0.385399 0.830386 0.969189 H\n0.033323 0.745049 0.735112 H\n0.254951 -0.033322 0.735112 H\n0.713069 0.474594 -0.016927 H\n0.525406 0.286931 -0.016927 H\n0.660824 0.702574 0.179247 H\n0.122414 0.137699 0.309740 C\n0.862301 0.877586 0.309740 C\n0.291778 0.141948 0.465673 C\n0.858052 0.708222 0.465673 C\n0.408346 0.117136 0.627760 N\n0.415847 0.584153 0.388577 N\n0.882865 0.591655 0.627760 N\n0.922350 0.769544 0.500555 N\n0.768007 0.870394 0.171237 N\n0.763364 0.763987 0.270796 N\n0.236013 0.236637 0.270796 N\n0.129606 0.231994 0.171237 N\n0.230457 0.077650 0.500555 N\n0.085966 0.743698 0.869863 O\n0.256302 0.914034 0.869863 O\n0.920075 0.079925 0.608962 O\n0.336707 0.663293 0.193597 O\n0.768907 0.368557 0.884873 O\n0.631443 0.231093 0.884873 O\n0.509517 0.595080 0.484070 O\n0.989391 0.526261 0.803120 O\n0.473739 0.010610 0.803120 O\n0.797774 0.562585 0.584750 O\n0.437416 0.202227 0.584750 O\n0.883452 0.972636 0.266540 O\n0.027364 0.116548 0.266540 O\n0.331334 0.396868 0.143485 O\n0.404920 0.490483 0.484070 O\n0.603132 0.668666 0.143485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Y",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Y",
"density": 2.1143118839855215,
"density_atomic": 0.10945142396992981,
"volume": 420.2777664421966,
"volume_molar": 5.5021127561158965,
"formula_full": "Y1 H16 C4 N9 O16",
"formula_reduced": "YH16C4N9O16",
"formula_anonymous": "AB4C9D16E16",
"energy_above_hull": 4.318576319565218,
"spacegroup": 8
}
]
}