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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=924",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=922",
"results": [
{
"id": "jvasp-101952",
"created_at": "2022-09-04T14:36:47.479361Z",
"updated_at": "2022-09-04T14:36:47.479370Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.063340 -0.115967 -0.278640\n-0.996942 4.200739 -0.387402\n-0.030213 -0.013224 8.234216\nCd H C O\n1 6 5 4\ndirect\n0.791678 0.342719 0.244145 Cd\n0.451789 0.748284 0.552066 H\n0.499068 0.118989 0.670422 H\n0.864760 0.549783 0.630671 H\n-0.000784 0.381169 0.879584 H\n0.909473 0.902369 0.763250 H\n0.403910 0.482686 0.807545 H\n0.153567 0.024710 0.453976 C\n0.311302 0.914167 0.601911 C\n0.051815 0.740718 0.710319 C\n0.197546 0.582941 0.848475 C\n0.341368 0.792585 0.007947 C\n0.864349 0.863757 0.382844 O\n0.305685 0.288653 0.401567 O\n0.557073 0.064413 0.002620 O\n0.256676 0.687686 0.142164 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.885952772424385,
"density_atomic": 0.11466501149691004,
"volume": 139.53689788302304,
"volume_molar": 5.251942751658192,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122310234375,
"spacegroup": 1
},
{
"id": "jvasp-101954",
"created_at": "2022-09-04T14:36:43.287130Z",
"updated_at": "2022-09-04T14:36:43.287147Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.926606 0.068910 -0.058839\n1.478355 4.380165 0.340175\n-0.191782 -0.103008 9.365599\nCd H C O\n1 8 6 4\ndirect\n0.605360 0.719559 0.796053 Cd\n0.851979 0.682862 0.485703 H\n0.278581 0.588953 0.416764 H\n0.743579 0.477479 0.274490 H\n0.372188 0.283199 0.193898 H\n0.932856 0.850142 0.175350 H\n0.359358 0.756457 0.106342 H\n0.839045 0.156082 0.398143 H\n0.467708 0.961826 0.317569 H\n0.960596 0.134049 0.994921 C\n0.129781 0.951982 0.134591 C\n0.251481 0.128518 0.248448 C\n0.250452 0.305150 0.597181 C\n0.081500 0.487250 0.457489 C\n0.959784 0.310758 0.343611 C\n-0.005496 0.990158 0.880008 O\n0.419508 0.018489 0.594413 O\n0.216330 0.449020 0.712108 O\n0.791557 0.420713 -0.002305 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6587866559825684,
"density_atomic": 0.11858756002843174,
"volume": 160.2191662889825,
"volume_molar": 5.078223009695261,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253605460526315,
"spacegroup": 2
},
{
"id": "jvasp-101955",
"created_at": "2022-09-04T14:36:48.896460Z",
"updated_at": "2022-09-04T14:36:48.896481Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.591659 -0.032549 0.377704\n0.023593 4.216852 0.204187\n-0.125085 0.030368 10.377131\nCd H C O\n1 8 6 4\ndirect\n0.639252 0.717956 0.204048 Cd\n0.357538 0.513872 0.505744 H\n0.885219 0.550366 0.549809 H\n0.357847 0.970363 0.613406 H\n0.398099 0.463909 0.748716 H\n0.505331 0.983774 0.880280 H\n0.059459 0.842633 0.868961 H\n0.872869 0.982216 0.648662 H\n0.915716 0.436026 0.786194 H\n0.073517 0.165439 0.011036 C\n0.216963 0.062604 0.877449 C\n0.165556 0.294103 0.762676 C\n0.000006 0.263764 0.394684 C\n0.101084 0.373915 0.523688 C\n0.124228 0.130577 0.636254 C\n0.158931 0.978496 0.107847 O\n0.783855 0.031998 0.388802 O\n0.116012 0.446410 0.293802 O\n0.850140 0.393413 0.023458 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.707219490221706,
"density_atomic": 0.12074776781522699,
"volume": 157.3528053046459,
"volume_molar": 4.987372329081328,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.254431776315789,
"spacegroup": 1
},
{
"id": "jvasp-103967",
"created_at": "2022-09-04T14:36:30.893046Z",
"updated_at": "2022-09-04T14:36:30.893083Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n4.021440 0.085083 0.140409\n0.859958 3.987264 0.730895\n0.061545 0.236442 10.197469\nCd H C O\n1 8 6 4\ndirect\n0.698199 0.971888 0.205013 Cd\n0.505777 -0.004498 0.502602 H\n0.382166 0.401564 0.546542 H\n0.977676 0.846499 0.615747 H\n0.526866 0.699202 0.746026 H\n0.014183 0.542302 0.863459 H\n0.890570 0.948320 0.907444 H\n0.869480 0.244756 0.663995 H\n0.418614 0.097428 0.794303 H\n0.323374 0.614636 0.013305 C\n0.109437 0.751855 0.887113 C\n0.310347 0.898664 0.767555 C\n0.072995 0.329155 0.396715 C\n0.286909 0.191988 0.522912 C\n0.085977 0.045259 0.642478 C\n0.257124 0.765675 0.112816 O\n0.829294 0.589458 0.395311 O\n0.139293 0.178126 0.297204 O\n0.567023 0.354288 0.014710 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6284463261687443,
"density_atomic": 0.11723431655739829,
"volume": 162.0685867239013,
"volume_molar": 5.136841273818952,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253316513157895,
"spacegroup": 2
},
{
"id": "jvasp-112176",
"created_at": "2022-09-04T14:38:45.984841Z",
"updated_at": "2022-09-04T14:38:45.984873Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.717754 0.118743 0.379725\n1.427753 4.346905 0.533581\n0.311841 0.109895 10.403377\nCd H C O\n1 8 6 4\ndirect\n0.721121 0.228993 0.798208 Cd\n0.565970 0.502592 0.484490 H\n0.185948 0.370072 0.483139 H\n0.212072 0.013952 0.362132 H\n0.625730 0.564079 0.234516 H\n0.256275 0.087910 0.113276 H\n0.876294 0.955329 0.111939 H\n0.816600 0.893913 0.361888 H\n0.230292 0.443993 0.234287 H\n0.362938 0.739864 0.985493 C\n0.189771 0.873083 0.114024 C\n0.311276 0.651272 0.235674 C\n0.079323 0.718098 0.610927 C\n0.252496 0.584876 0.482395 C\n0.131050 0.806691 0.360741 C\n0.542656 0.449808 0.986550 O\n0.899607 0.008154 0.609874 O\n0.122118 0.530874 0.716142 O\n0.320136 0.927085 0.880277 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.5707033954312095,
"density_atomic": 0.11465885859440335,
"volume": 165.7089581469758,
"volume_molar": 5.2522245850212474,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252859671052631,
"spacegroup": 2
},
{
"id": "jvasp-112177",
"created_at": "2022-09-04T14:38:45.747134Z",
"updated_at": "2022-09-04T14:38:45.747158Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n4.012770 0.021575 0.354857\n0.872381 3.946863 0.250130\n0.874662 -0.216009 10.245914\nCd H C O\n1 8 6 4\ndirect\n0.239203 0.253113 0.793606 Cd\n0.536451 0.055873 0.492640 H\n-0.005049 -0.053555 0.457637 H\n0.514905 0.531472 0.376673 H\n0.507389 0.077012 0.246017 H\n0.483182 0.560022 0.129536 H\n-0.058308 0.450347 0.094627 H\n-0.029211 0.429305 0.341207 H\n0.963272 -0.025161 0.210574 H\n0.704088 0.875598 0.985246 C\n0.717521 0.662925 0.111016 C\n0.733494 0.864095 0.230861 C\n0.774442 0.630728 0.601972 C\n0.760703 0.843398 0.476209 C\n0.744679 0.642221 0.356375 C\n0.446509 0.124562 0.982699 O\n0.032154 0.381861 0.604464 O\n0.529692 0.702281 0.700356 O\n0.949003 0.803962 0.886918 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6457262635042356,
"density_atomic": 0.11800503864653214,
"volume": 161.01007395889158,
"volume_molar": 5.103291206097134,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.2533507236842105,
"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-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-103968",
"created_at": "2022-09-04T14:36:32.215678Z",
"updated_at": "2022-09-04T14:36:32.215689Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.890062 -0.125520 -0.338017\n-0.786156 4.170664 -0.237144\n-0.012827 0.096139 10.065311\nCd H C O\n1 8 6 4\ndirect\n0.955196 0.634045 0.185836 Cd\n0.847911 0.410677 0.525398 H\n0.428693 0.500329 0.514467 H\n0.657093 0.950421 0.661917 H\n0.710756 0.468095 0.803585 H\n0.511978 0.950201 0.909865 H\n0.076346 0.923686 0.842233 H\n0.211078 0.945031 0.615382 H\n0.272622 0.475029 0.746664 H\n0.251106 0.264796 0.006039 C\n0.321444 0.096011 0.879471 C\n0.452165 0.312615 0.768982 C\n0.456394 0.109099 0.386218 C\n0.566181 0.299413 0.520434 C\n0.470013 0.107235 0.641696 C\n0.001284 0.129102 0.071315 O\n0.204102 0.857916 0.382102 O\n0.601473 0.204228 0.283365 O\n0.427609 0.550011 0.044702 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.623024673385068,
"density_atomic": 0.11699249927074583,
"volume": 162.40357389092023,
"volume_molar": 5.147458852095698,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253597039473684,
"spacegroup": 1
},
{
"id": "jvasp-96514",
"created_at": "2022-09-04T14:36:02.819547Z",
"updated_at": "2022-09-04T14:36:02.819575Z",
"structure_string": "Cd1 Hg1 C4 S4 N4\n1.0\n3.920907 0.000195 1.026084\n1.960836 8.190248 0.513003\n-0.111170 -0.000038 8.437556\nCd Hg C S N\n1 1 4 4 4\ndirect\n0.750066 0.499964 0.499935 Cd\n-0.000036 0.000009 0.000015 Hg\n0.117273 0.647466 0.828952 C\n0.235501 0.171047 0.647469 C\n0.593473 0.352534 0.171054 C\n0.053757 0.828965 0.352513 C\n0.165691 0.998397 0.284635 S\n0.449291 0.001787 0.715493 S\n0.835687 0.715417 0.998323 S\n0.549127 0.284605 0.001742 S\n0.975180 0.707087 0.403012 N\n0.317878 0.596891 0.707128 N\n0.085286 0.292798 0.596872 N\n0.621836 0.403035 0.292855 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Cd",
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Cd-Hg-N-S",
"density": 3.3305733486291405,
"density_atomic": 0.05149179989795694,
"volume": 271.88795163005136,
"volume_molar": 11.69533939760172,
"formula_full": "Cd1 Hg1 C4 S4 N4",
"formula_reduced": "CdHgC4(SN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.315908382142857,
"spacegroup": 82
},
{
"id": "jvasp-1639",
"created_at": "2022-09-04T14:36:38.910574Z",
"updated_at": "2022-09-04T14:36:38.910593Z",
"structure_string": "Cd1 Hg1 O2\n1.0\n3.499109 0.001447 -0.420062\n1.729809 3.041633 -0.420062\n-0.803114 -0.467389 6.489668\nCd Hg O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500000 0.500001 Hg\n0.612709 0.612708 0.817958 O\n0.387293 0.387292 0.182043 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"O"
],
"chemical_system": "Cd-Hg-O",
"density": 8.464581551576089,
"density_atomic": 0.05910136944509097,
"volume": 67.68032682755788,
"volume_molar": 10.189511370958945,
"formula_full": "Cd1 Hg1 O2",
"formula_reduced": "CdHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1292203374999999,
"spacegroup": 12
},
{
"id": "jvasp-105733",
"created_at": "2022-09-04T14:36:21.249267Z",
"updated_at": "2022-09-04T14:36:21.249287Z",
"structure_string": "Cd1 Hg1 Pd2\n1.0\n4.023645 -0.000000 2.323052\n1.341215 3.793529 2.323052\n0.000000 0.000000 4.646105\nCd Hg Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Pd"
],
"chemical_system": "Cd-Hg-Pd",
"density": 12.312647811359396,
"density_atomic": 0.05640374050249892,
"volume": 70.91728251289972,
"volume_molar": 10.676846440234216,
"formula_full": "Cd1 Hg1 Pd2",
"formula_reduced": "CdHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}