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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=921",
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"results": [
{
"id": "jvasp-103988",
"created_at": "2022-09-04T14:36:49.467554Z",
"updated_at": "2022-09-04T14:36:49.467574Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.173469 0.308211 0.141541\n0.521387 4.233391 -0.152805\n-0.068267 -0.811822 16.522911\nCd H C O\n1 20 12 4\ndirect\n0.054082 0.084873 0.147651 Cd\n0.863883 0.276801 0.441685 H\n0.717193 0.799518 0.377107 H\n0.248086 0.889875 0.981393 H\n0.441618 0.767188 0.803970 H\n0.037232 0.855955 0.844012 H\n0.218578 0.766025 0.660802 H\n0.818444 0.847753 0.703380 H\n-0.013373 0.772980 0.518922 H\n0.591942 0.854975 0.564423 H\n0.665532 0.760518 0.950514 H\n0.345113 0.887448 0.433896 H\n0.547503 0.264835 0.878217 H\n0.139765 0.357484 0.917248 H\n0.339802 0.256995 0.730967 H\n0.938205 0.338058 0.772883 H\n0.113974 0.258260 0.586530 H\n0.715565 0.336496 0.630244 H\n0.212138 0.365482 0.359024 H\n0.190607 0.710434 0.307424 H\n0.475846 0.351397 0.490741 H\n0.501889 0.496915 0.042518 C\n0.442526 0.677681 0.967548 C\n0.342898 0.464865 0.896493 C\n0.240216 0.655495 0.824056 C\n0.135561 0.454088 0.752265 C\n0.021351 0.650062 0.681467 C\n0.527959 0.688502 0.403563 C\n0.790806 0.657007 0.540277 C\n0.667090 0.471223 0.468415 C\n0.360189 0.525431 0.335485 C\n0.576374 0.346228 0.265106 C\n0.911192 0.454194 0.609407 C\n0.296639 0.575741 0.104099 O\n0.824769 0.455613 0.244564 O\n0.512252 0.093439 0.225993 O\n0.741788 0.262351 0.039829 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9593572429452135,
"density_atomic": 0.1281443532465362,
"volume": 288.7368741782629,
"volume_molar": 4.699497564605158,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595943344594596,
"spacegroup": 1
},
{
"id": "jvasp-103956",
"created_at": "2022-09-04T14:36:57.677084Z",
"updated_at": "2022-09-04T14:36:57.677100Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729897 0.079818 0.210827\n0.672816 4.112974 0.463634\n0.135189 0.032914 6.479795\nCd H C O\n1 2 3 4\ndirect\n0.500886 0.545945 0.507875 Cd\n0.881882 0.760228 0.958541 H\n0.319199 0.741664 0.032359 H\n0.128709 0.136642 0.804276 C\n0.899896 0.047679 0.199164 C\n0.067894 0.915981 -0.000367 C\n0.679383 0.316313 0.199526 O\n0.973514 0.854930 0.367392 O\n0.931376 0.415091 0.762818 O\n0.397043 0.032081 0.678749 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.6009662741369404,
"density_atomic": 0.10111849112934403,
"volume": 98.89388071671944,
"volume_molar": 5.955528699787342,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.623754375,
"spacegroup": 1
},
{
"id": "jvasp-103957",
"created_at": "2022-09-04T14:36:57.620850Z",
"updated_at": "2022-09-04T14:36:57.620881Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729745 0.077944 0.213684\n0.675204 4.112522 0.465287\n0.131566 0.031596 6.480605\nCd H C O\n1 2 3 4\ndirect\n0.267528 0.674722 0.501601 Cd\n0.085709 0.870299 0.026024 H\n0.648329 0.889046 0.952280 H\n0.666477 0.176425 0.192871 C\n0.895225 0.265397 0.797987 C\n0.834432 0.044709 0.993332 C\n0.697855 0.543876 0.756591 O\n0.163540 0.160853 0.672409 O\n0.445990 0.445106 0.193259 O\n0.740119 -0.016354 0.361073 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.600685038982674,
"density_atomic": 0.10111059378394087,
"volume": 98.90160492350184,
"volume_molar": 5.955993862392372,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.6237533750000006,
"spacegroup": 1
},
{
"id": "jvasp-103958",
"created_at": "2022-09-04T14:36:57.419594Z",
"updated_at": "2022-09-04T14:36:57.419615Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.904088 0.010033 1.675721\n1.929812 4.583083 0.860352\n-0.054904 -0.108725 5.515136\nCd H C O\n1 2 3 4\ndirect\n0.893786 0.515992 0.501287 Cd\n0.584661 0.147015 0.880687 H\n0.594751 0.885201 0.121689 H\n0.122767 0.811694 0.819012 C\n0.736222 0.220235 0.183613 C\n0.749437 0.016038 0.001247 C\n0.967187 0.125873 0.302834 O\n0.481159 0.478480 0.222062 O\n0.164230 0.553442 0.780688 O\n0.378711 0.905980 0.699772 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.59677927392754,
"density_atomic": 0.10100091625879506,
"volume": 99.0090027933703,
"volume_molar": 5.962461513289092,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.627160375,
"spacegroup": 5
},
{
"id": "jvasp-112162",
"created_at": "2022-09-04T14:38:43.358788Z",
"updated_at": "2022-09-04T14:38:43.358819Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729637 0.080758 0.214237\n0.671870 4.112751 0.464532\n0.130294 0.032400 6.480819\nCd H C O\n1 2 3 4\ndirect\n0.524596 0.721956 0.502528 Cd\n0.143527 0.507787 0.051789 H\n0.706190 0.526190 0.978072 H\n0.125630 0.220238 0.811226 C\n0.896989 0.131232 0.206102 C\n0.957595 0.351933 0.010746 C\n0.094485 0.852813 0.247508 O\n0.628660 0.235743 0.331678 O\n0.346190 0.951577 0.810848 O\n0.051981 0.413004 0.643022 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.6008636837911974,
"density_atomic": 0.10111561029676293,
"volume": 98.89669825115159,
"volume_molar": 5.955698375676808,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.623754375,
"spacegroup": 1
},
{
"id": "jvasp-112164",
"created_at": "2022-09-04T14:38:44.946490Z",
"updated_at": "2022-09-04T14:38:44.946512Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.547378 0.002873 1.018576\n1.509407 4.428333 1.417425\n0.032258 -0.013523 6.573440\nCd H C O\n1 2 3 4\ndirect\n0.244754 0.500058 0.535326 Cd\n0.199037 0.205324 0.994156 H\n0.363155 0.794787 0.076481 H\n0.784853 0.966482 0.838048 C\n0.554005 0.033630 0.232602 C\n0.444938 0.000055 0.035322 C\n0.518646 0.296505 0.242455 O\n0.665000 0.796570 0.380039 O\n0.806237 0.203540 0.690624 O\n0.022203 0.703601 0.828196 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.4528770258811,
"density_atomic": 0.09696000693479309,
"volume": 103.13530615488853,
"volume_molar": 6.210953309904331,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624894375,
"spacegroup": 5
},
{
"id": "jvasp-112165",
"created_at": "2022-09-04T14:38:45.485798Z",
"updated_at": "2022-09-04T14:38:45.485814Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.377032 -0.012671 0.431153\n0.784915 4.452632 1.545222\n-0.025255 0.106906 6.914479\nCd H C O\n1 2 3 4\ndirect\n0.621017 0.155545 0.439124 Cd\n0.129191 0.284308 -0.003902 H\n0.745071 0.667936 0.951426 H\n0.245357 0.822531 0.181808 C\n0.007443 0.024709 0.823837 C\n0.101925 0.058664 0.003530 C\n0.877870 0.778095 0.816783 O\n0.023217 0.233104 0.645310 O\n0.417459 0.558963 0.169002 O\n0.229157 0.874990 0.357425 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.43848867528467,
"density_atomic": 0.09655596863190737,
"volume": 103.56687568556434,
"volume_molar": 6.2369430345189,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.631189375,
"spacegroup": 1
},
{
"id": "jvasp-112258",
"created_at": "2022-09-04T14:38:44.262398Z",
"updated_at": "2022-09-04T14:38:44.262427Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.970363 -0.086849 -0.260236\n-0.228347 3.966960 -0.291569\n-0.036503 0.009012 6.323259\nCd H C O\n1 2 3 4\ndirect\n0.565769 0.732436 0.509270 Cd\n0.411071 0.276166 0.008917 H\n0.107502 0.578700 0.008835 H\n0.966481 0.134195 0.803437 C\n0.018075 0.186221 0.211069 C\n0.140009 0.308051 0.005819 C\n0.782981 0.950712 0.207562 O\n0.163307 0.332308 0.384014 O\n0.697828 0.244077 0.720503 O\n0.076669 0.865592 0.720893 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.5811898403612306,
"density_atomic": 0.1005631504260217,
"volume": 99.44000319835249,
"volume_molar": 5.988416964353289,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.627016375,
"spacegroup": 8
},
{
"id": "jvasp-112163",
"created_at": "2022-09-04T14:38:45.772730Z",
"updated_at": "2022-09-04T14:38:45.772757Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.699509 0.005965 1.263975\n1.878135 4.668641 0.532216\n0.026454 0.013021 5.972551\nCd H C O\n1 2 3 4\ndirect\n0.382450 0.739060 0.499778 Cd\n0.335996 0.054255 0.946244 H\n0.098217 0.423452 0.052987 H\n0.894032 0.322940 0.792790 C\n0.770718 0.155372 0.206435 C\n0.060241 0.238975 0.999603 C\n0.460183 0.347787 0.326821 O\n0.849604 0.887045 0.243167 O\n0.741657 0.591340 0.756034 O\n0.895938 0.130806 0.672398 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.459484361325839,
"density_atomic": 0.09714554707588134,
"volume": 102.9383260582073,
"volume_molar": 6.199090891213003,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624824375,
"spacegroup": 5
},
{
"id": "jvasp-112161",
"created_at": "2022-09-04T14:38:44.875682Z",
"updated_at": "2022-09-04T14:38:44.875699Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729872 0.081246 0.214557\n0.671894 4.112983 0.465256\n0.130049 0.031588 6.480625\nCd H C O\n1 2 3 4\ndirect\n0.367168 0.723718 0.508949 Cd\n0.748006 0.937973 0.959621 H\n0.185389 0.919244 0.033329 H\n-0.005302 0.314402 0.805349 C\n0.766112 0.225301 0.200238 C\n0.934072 0.093641 0.000680 C\n0.545604 0.493984 0.200651 O\n0.839744 0.032462 0.368421 O\n0.797180 0.592829 0.764000 O\n0.263003 0.209926 0.679741 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.6005708591301664,
"density_atomic": 0.1011073875072018,
"volume": 98.90474125135226,
"volume_molar": 5.956182736470219,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
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"spacegroup": 1
},
{
"id": "jvasp-29805",
"created_at": "2022-09-04T14:37:30.398333Z",
"updated_at": "2022-09-04T14:37:30.398362Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.550123 0.000149 0.008300\n-1.774933 3.074274 0.000000\n-0.017001 -0.009815 4.632534\nCd H O\n1 2 2\ndirect\n0.000000 0.063151 -0.000000 Cd\n0.666149 0.396436 0.547457 H\n0.333851 0.730287 0.452542 H\n0.666304 0.396286 0.758709 O\n0.333696 0.729981 0.241290 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Cd-H-O",
"density": 4.808905774110399,
"density_atomic": 0.09888944167197145,
"volume": 50.56151511690824,
"volume_molar": 6.089771221457785,
"formula_full": "Cd1 H2 O2",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5017593500000002,
"spacegroup": 164
},
{
"id": "jvasp-29804",
"created_at": "2022-09-04T14:37:29.931643Z",
"updated_at": "2022-09-04T14:37:29.931668Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.823333 -0.000242 0.000017\n-1.911876 3.311467 -0.000000\n-0.000006 -0.000003 4.215459\nCd H O\n1 2 2\ndirect\n0.999982 0.999994 0.974326 Cd\n0.666725 0.333363 0.015598 H\n0.333331 0.666668 0.443118 H\n0.666632 0.333318 0.781446 O\n0.333326 0.666664 0.210865 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Cd-H-O",
"density": 4.555906384694549,
"density_atomic": 0.09368680940219874,
"volume": 53.369306009076816,
"volume_molar": 6.427949461003489,
"formula_full": "Cd1 H2 O2",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5400593500000002,
"spacegroup": 156
}
]
}