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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=642",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=640",
"results": [
{
"id": "jvasp-112115",
"created_at": "2022-09-04T14:38:44.235275Z",
"updated_at": "2022-09-04T14:38:44.235300Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.702612 -0.144358 0.575068\n-1.034794 4.402592 -0.628361\n-0.144726 1.296573 12.330036\nCd H C O\n1 12 8 4\ndirect\n0.629415 0.562930 0.179050 Cd\n0.747809 0.852521 0.541566 H\n0.947536 0.714182 0.935931 H\n0.413177 0.737775 0.889125 H\n0.852284 0.783108 0.738319 H\n0.328515 0.819409 0.694719 H\n0.930697 0.306710 0.663349 H\n0.223863 0.884813 0.497505 H\n0.035071 0.241151 0.860565 H\n0.511176 0.273496 0.816556 H\n0.845639 0.388111 0.468923 H\n0.311303 0.411772 0.422120 H\n0.406888 0.342909 0.619714 H\n0.348616 0.013207 0.025051 C\n0.225231 0.879313 0.918219 C\n0.231461 0.108604 0.830725 C\n0.130402 0.951826 0.723657 C\n0.027525 0.017396 0.527358 C\n0.033645 0.246607 0.439848 C\n0.910272 0.112586 0.333031 C\n0.128745 0.174240 0.634405 C\n0.254841 0.836937 0.109492 O\n0.709918 0.837931 0.332173 O\n0.003938 0.288773 0.248572 O\n0.549092 0.287812 0.025939 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.3423703346268425,
"density_atomic": 0.1239160691397123,
"volume": 201.7494597235256,
"volume_molar": 4.859854578836088,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42185015,
"spacegroup": 2
},
{
"id": "jvasp-112117",
"created_at": "2022-09-04T14:38:44.510978Z",
"updated_at": "2022-09-04T14:38:44.511007Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855210 0.019031 -0.226362\n-0.552241 4.323129 -0.567902\n-0.249571 -0.028419 15.038359\nCd H C O\n1 16 10 4\ndirect\n0.480044 0.038907 0.147716 Cd\n0.503252 0.858316 0.526525 H\n0.212635 0.628690 0.921456 H\n0.808239 0.644161 0.966089 H\n0.927217 0.507223 0.764118 H\n0.509178 0.521008 0.801937 H\n0.644270 0.403810 0.603314 H\n0.221115 0.394294 0.639392 H\n0.366399 0.299622 0.440943 H\n0.936288 0.257422 0.474067 H\n0.011621 0.064715 0.853622 H\n0.602615 0.098548 0.895510 H\n0.752596 0.961134 0.690271 H\n0.334178 0.966173 0.728863 H\n0.276409 0.750405 0.362743 H\n0.852109 0.702520 0.396838 H\n0.081137 0.839022 0.563474 H\n0.135851 0.367486 0.029257 C\n-0.003941 0.485374 0.945341 C\n0.825867 0.231204 0.870600 C\n0.704784 0.362925 0.785774 C\n0.553454 0.114783 0.707359 C\n0.160637 0.131523 0.459587 C\n0.292740 -0.000190 0.543413 C\n0.056044 0.876938 0.379691 C\n0.902155 0.981163 0.295090 C\n0.427819 0.247932 0.623194 C\n0.403443 0.515523 0.078188 O\n0.968532 0.844893 0.217868 O\n0.688722 0.181581 0.299385 O\n-0.002036 0.108580 0.048823 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.072570552646454,
"density_atomic": 0.12375812199795191,
"volume": 250.488610359755,
"volume_molar": 4.866057001171739,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525729798387096,
"spacegroup": 1
},
{
"id": "jvasp-112175",
"created_at": "2022-09-04T14:38:44.530145Z",
"updated_at": "2022-09-04T14:38:44.530162Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.710755 -0.114924 -0.273016\n-1.233857 4.399242 -0.117171\n0.204102 -0.099605 10.027644\nCd H C O\n1 8 6 4\ndirect\n0.006226 0.786290 0.787368 Cd\n0.242237 0.576539 0.433686 H\n0.709347 0.619117 0.483665 H\n0.163125 0.040396 0.334154 H\n0.377905 0.492234 0.189339 H\n0.303333 0.953341 0.091092 H\n0.770525 0.996096 0.141019 H\n0.634676 0.080271 0.385407 H\n0.849450 0.532130 0.240592 H\n0.707397 0.257737 0.978752 C\n0.578436 0.128091 0.110856 C\n0.569043 0.362562 0.222430 C\n0.305048 0.314878 0.595975 C\n0.434190 0.444452 0.463882 C\n0.443549 0.209953 0.352313 C\n0.899059 0.537739 0.978002 O\n0.387166 0.498881 0.701687 O\n0.113225 0.034922 0.596739 O\n0.625296 0.073791 0.873025 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6223480663476058,
"density_atomic": 0.11696232115265943,
"volume": 162.44547656677543,
"volume_molar": 5.148786977423175,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252808092105263,
"spacegroup": 2
},
{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9920270042642596,
"density_atomic": 0.13028099547960598,
"volume": 284.0015142944769,
"volume_molar": 4.622424581444574,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.59571739864865,
"spacegroup": 2
},
{
"id": "jvasp-112178",
"created_at": "2022-09-04T14:38:44.569191Z",
"updated_at": "2022-09-04T14:38:44.569211Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.673809 0.030261 0.030001\n1.745384 4.674632 1.425099\n-0.014356 0.069588 9.441327\nCd H C O\n1 8 6 4\ndirect\n0.889674 0.511382 0.199720 Cd\n0.657785 0.976213 0.617152 H\n0.209611 0.000451 0.544405 H\n0.893897 0.454940 0.562477 H\n0.992489 0.549763 0.804310 H\n0.129328 0.040639 0.782198 H\n0.691140 0.050551 0.856221 H\n0.411674 0.489406 0.592815 H\n0.521227 0.564321 0.844876 H\n0.138940 0.031189 0.006489 C\n0.920535 0.142288 0.852433 C\n0.764094 0.468295 0.784826 C\n0.645954 -0.009326 0.393871 C\n0.524275 0.886556 0.547877 C\n0.645828 0.561007 0.617413 C\n0.287617 0.752100 0.060445 O\n0.873254 0.819790 0.333938 O\n0.522834 0.269332 0.338151 O\n0.192781 0.199309 0.069481 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.641222754231441,
"density_atomic": 0.11780417252023936,
"volume": 161.2846098191955,
"volume_molar": 5.111992751330913,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253957039473684,
"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-112198",
"created_at": "2022-09-04T14:38:45.860663Z",
"updated_at": "2022-09-04T14:38:45.860694Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.000849 0.118352 0.445355\n0.911535 4.274517 -0.023115\n0.243435 0.034808 15.564686\nCd H C O\n1 18 11 4\ndirect\n0.967331 0.794038 0.839226 Cd\n0.637453 0.732389 0.532572 H\n0.124215 0.314552 0.565842 H\n0.049879 0.147475 0.103140 H\n0.160723 0.128744 0.300470 H\n0.757455 0.180142 0.262611 H\n0.844988 0.192474 0.460276 H\n0.449897 0.240501 0.418685 H\n0.255250 0.787832 0.485001 H\n0.460328 0.098550 0.137621 H\n0.524022 0.604388 0.067423 H\n0.111898 0.663618 0.035743 H\n0.255240 0.612888 0.222672 H\n0.849705 0.667831 0.186446 H\n0.961276 0.659658 0.377616 H\n0.561758 0.713998 0.338217 H\n0.712022 0.083187 0.614683 H\n0.664635 0.436709 0.675015 H\n0.093255 0.656221 0.629214 H\n0.499255 0.311384 0.963019 C\n0.335274 0.478739 0.048634 C\n0.233003 0.276690 0.122972 C\n0.069279 0.484577 0.203592 C\n0.943034 0.309188 0.281383 C\n0.276909 0.466094 0.589776 C\n0.633658 0.370860 0.437846 C\n0.453173 0.607021 0.511576 C\n0.522163 0.280569 0.649192 C\n0.345354 0.153301 0.727706 C\n0.774677 0.531769 0.358807 C\n0.710534 0.040960 0.964428 O\n0.054110 0.306106 0.765368 O\n0.485669 0.881421 0.755013 O\n0.436755 0.451508 0.893120 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0542826184098466,
"density_atomic": 0.12876024535383623,
"volume": 264.05665744552743,
"volume_molar": 4.677018705153142,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563826580882353,
"spacegroup": 1
},
{
"id": "jvasp-97412",
"created_at": "2022-09-04T14:35:49.998286Z",
"updated_at": "2022-09-04T14:35:49.998314Z",
"structure_string": "Cd4 Ge4 Bi8 O24\n1.0\n5.683779 0.000000 0.000000\n0.000000 10.125678 -0.033041\n0.000000 0.034838 10.610243\nCd Ge Bi O\n4 4 8 24\ndirect\n0.749980 0.611447 0.499996 Cd\n0.249980 0.888554 0.000004 Cd\n0.750020 0.111447 -0.000004 Cd\n0.250020 0.388554 0.500004 Cd\n0.749938 0.651799 0.999987 Ge\n0.249938 0.848202 0.500013 Ge\n0.750063 0.151799 0.499987 Ge\n0.250062 0.348202 0.000013 Ge\n0.784711 0.887744 0.259071 Bi\n0.715288 0.887758 0.740888 Bi\n0.284711 0.612257 0.240929 Bi\n0.215289 0.112256 0.740929 Bi\n0.784712 0.387758 0.240889 Bi\n0.215288 0.612242 0.759111 Bi\n0.284712 0.112242 0.259111 Bi\n0.715289 0.387744 0.759071 Bi\n0.621617 0.553615 0.121438 O\n0.534437 0.749948 0.920974 O\n0.534688 0.250040 0.578995 O\n0.965563 0.249948 0.420974 O\n0.014594 0.468320 0.647909 O\n0.878373 0.553635 0.878565 O\n0.034688 0.249960 0.921004 O\n0.034437 0.750052 0.579025 O\n0.014586 0.968333 0.852087 O\n0.465312 0.749960 0.421005 O\n0.378372 0.946366 0.621434 O\n0.121617 0.946385 0.378562 O\n0.378383 0.446385 0.878562 O\n0.621628 0.053634 0.378565 O\n0.985406 0.531681 0.352091 O\n0.121628 0.446366 0.121434 O\n0.985414 0.031668 0.147913 O\n0.878384 0.053615 0.621438 O\n0.514586 0.531668 0.647913 O\n0.965312 0.750040 0.078995 O\n0.514594 0.031681 0.852091 O\n0.485406 0.968320 0.147909 O\n0.465563 0.250052 0.079026 O\n0.485414 0.468332 0.352087 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Cd",
"Ge",
"Bi",
"O"
],
"chemical_system": "Bi-Cd-Ge-O",
"density": 7.603264172107541,
"density_atomic": 0.06550413442320105,
"volume": 610.648478179605,
"volume_molar": 9.193527726193427,
"formula_full": "Cd4 Ge4 Bi8 O24",
"formula_reduced": "CdGe(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.66655153,
"spacegroup": 60
},
{
"id": "jvasp-100419",
"created_at": "2022-09-04T14:36:40.773015Z",
"updated_at": "2022-09-04T14:36:40.773035Z",
"structure_string": "Cd2 Ge2 As2 P2\n1.0\n5.389969 0.013288 -4.482647\n-1.163459 5.212346 -4.541354\n0.007044 -0.013288 7.010410\nCd Ge As P\n2 2 2 2\ndirect\n0.866161 0.616162 0.250000 Cd\n0.633839 0.883840 0.750000 Cd\n0.372049 0.122050 0.250000 Ge\n0.127950 0.377951 0.750000 Ge\n0.250000 0.478538 0.228537 As\n0.750000 0.021463 0.271463 As\n0.465772 0.250000 0.715773 P\n0.034227 0.750000 0.784227 P\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ge",
"As",
"P"
],
"chemical_system": "As-Cd-Ge-P",
"density": 4.909059008602095,
"density_atomic": 0.040643978712700625,
"volume": 196.83112365916386,
"volume_molar": 14.816809157805638,
"formula_full": "Cd2 Ge2 As2 P2",
"formula_reduced": "CdGeAsP",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.0280332375,
"spacegroup": 24
},
{
"id": "jvasp-107573",
"created_at": "2022-09-04T14:36:55.985908Z",
"updated_at": "2022-09-04T14:36:55.985938Z",
"structure_string": "Cd2 Ga1 Cu1 Te4\n1.0\n5.786796 0.039439 -5.236262\n-1.113631 5.678767 -5.236262\n-0.032231 -0.039439 7.804128\nCd Ga Cu Te\n2 1 1 4\ndirect\n0.750001 0.250000 0.500001 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.642018 0.642018 0.509681 Te\n0.357983 0.867664 0.000001 Te\n0.132337 0.132337 0.490320 Te\n0.867664 0.357983 0.000001 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Te"
],
"chemical_system": "Cd-Cu-Ga-Te",
"density": 5.6683415586154595,
"density_atomic": 0.031443550483343276,
"volume": 254.42419437454666,
"volume_molar": 19.152228890914003,
"formula_full": "Cd2 Ga1 Cu1 Te4",
"formula_reduced": "Cd2GaCuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0,
"spacegroup": 121
},
{
"id": "jvasp-107156",
"created_at": "2022-09-04T14:36:56.337589Z",
"updated_at": "2022-09-04T14:36:56.337610Z",
"structure_string": "Cd1 Ga1 Cu3 Se4\n1.0\n5.901110 0.000000 0.000000\n0.000000 5.901110 0.000000\n-0.000000 -0.000000 5.901110\nCd Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.241082 0.241082 0.241082 Se\n0.758918 0.758918 0.241082 Se\n0.241082 0.758918 0.758918 Se\n0.758918 0.241082 0.758918 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Ga-Se",
"density": 5.564453960202115,
"density_atomic": 0.0437966990282063,
"volume": 205.49493910953763,
"volume_molar": 13.750216097614052,
"formula_full": "Cd1 Ga1 Cu3 Se4",
"formula_reduced": "CdGaCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.2373696546296293,
"spacegroup": 215
},
{
"id": "jvasp-111382",
"created_at": "2022-09-04T14:38:26.233628Z",
"updated_at": "2022-09-04T14:38:26.233655Z",
"structure_string": "Cd2 Ga1 Cu1 Se4\n1.0\n5.402749 0.034182 -4.879659\n-1.044140 5.301004 -4.879659\n-0.027925 -0.034182 7.280109\nCd Ga Cu Se\n2 1 1 4\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.640107 0.640106 0.501657 Se\n0.359894 0.861549 -0.000001 Se\n0.138451 0.138450 0.498344 Se\n0.861550 0.359893 -0.000001 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Ga-Se",
"density": 5.40703268425909,
"density_atomic": 0.038653110695049286,
"volume": 206.96911208816746,
"volume_molar": 15.579964074589526,
"formula_full": "Cd2 Ga1 Cu1 Se4",
"formula_reduced": "Cd2GaCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0650857177083332,
"spacegroup": 121
}
]
}