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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=955",
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"results": [
{
"id": "jvasp-29675",
"created_at": "2022-09-04T14:37:05.632587Z",
"updated_at": "2022-09-04T14:37:05.632609Z",
"structure_string": "Cd8 I16\n1.0\n4.286956 -0.000000 -0.000000\n-2.143478 3.712612 0.000000\n-0.000000 -0.000000 55.019413\nCd I\n8 16\ndirect\n0.000000 0.000000 0.156346 Cd\n0.333333 0.666667 0.281312 Cd\n0.333333 0.666667 0.031358 Cd\n0.000000 0.000000 0.781282 Cd\n0.000000 0.000000 0.656341 Cd\n0.000000 0.000000 0.406301 Cd\n0.333333 0.666667 0.906399 Cd\n0.666667 0.333333 0.531303 Cd\n0.333333 0.666667 0.499781 I\n0.000000 0.000000 0.874886 I\n0.333333 0.666667 0.124848 I\n0.333333 0.666667 0.374798 I\n0.000000 0.000000 -0.000143 I\n0.666667 0.333333 0.937911 I\n0.666667 0.333333 0.312834 I\n0.666667 0.333333 0.437809 I\n0.000000 0.000000 0.562809 I\n0.666667 0.333333 0.812810 I\n0.000000 0.000000 0.249815 I\n0.333333 0.666667 0.749780 I\n0.666667 0.333333 0.187868 I\n0.333333 0.666667 0.624820 I\n0.666667 0.333333 0.687847 I\n0.666667 0.333333 0.062883 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.555671120324338,
"density_atomic": 0.02740732810541837,
"volume": 875.6782094076237,
"volume_molar": 21.972739322989447,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001433333333333,
"spacegroup": 156
},
{
"id": "jvasp-29682",
"created_at": "2022-09-04T14:37:51.000808Z",
"updated_at": "2022-09-04T14:37:51.000823Z",
"structure_string": "Cd8 I16\n1.0\n4.286986 -0.000000 0.000000\n-2.143493 3.712639 -0.000000\n0.000000 -0.000000 55.003051\nCd I\n8 16\ndirect\n0.666668 0.333333 0.906261 Cd\n0.666668 0.333333 0.781244 Cd\n0.666668 0.333333 0.531256 Cd\n0.666668 0.333333 0.281275 Cd\n0.000000 0.000000 0.156229 Cd\n0.666668 0.333333 0.031201 Cd\n0.666668 0.333333 0.656252 Cd\n0.666668 0.333333 0.406254 Cd\n0.000000 0.000000 0.874746 I\n0.000000 0.000000 0.749729 I\n0.333334 0.666667 0.937780 I\n0.333334 0.666667 0.312795 I\n0.000000 0.000000 0.624737 I\n0.333334 0.666667 0.187764 I\n0.333334 0.666667 0.437775 I\n0.000000 0.000000 0.249759 I\n0.333334 0.666667 0.062733 I\n0.000000 0.000000 0.374739 I\n0.333334 0.666667 0.687772 I\n0.333334 0.666667 0.562776 I\n0.000000 0.000000 0.999695 I\n0.333334 0.666667 0.812765 I\n0.666668 0.333333 0.124721 I\n0.000000 0.000000 0.499742 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.557244485467495,
"density_atomic": 0.02741508985620855,
"volume": 875.4302876948203,
"volume_molar": 21.96651840860627,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00018,
"spacegroup": 156
},
{
"id": "jvasp-29603",
"created_at": "2022-09-04T14:38:28.337533Z",
"updated_at": "2022-09-04T14:38:28.337548Z",
"structure_string": "Cd8 I16\n1.0\n4.287276 -0.000000 -0.000000\n-2.143638 3.712890 0.000000\n-0.000000 -0.000000 55.008032\nCd I\n8 16\ndirect\n0.666667 0.333333 0.906255 Cd\n0.666667 0.333333 0.781253 Cd\n0.000000 0.000000 0.281204 Cd\n0.666667 0.333333 0.531257 Cd\n0.666667 0.333333 0.406261 Cd\n0.000000 0.000000 0.156265 Cd\n0.666667 0.333333 0.031219 Cd\n0.666667 0.333333 0.656257 Cd\n0.000000 0.000000 0.874745 I\n0.000000 0.000000 0.749740 I\n0.333333 0.666667 0.937770 I\n0.333333 0.666667 0.312732 I\n0.000000 0.000000 0.624747 I\n0.333333 0.666667 0.187778 I\n0.333333 0.666667 0.437778 I\n0.666667 0.333333 0.124756 I\n0.333333 0.666667 0.062751 I\n0.000000 0.000000 0.374749 I\n0.333333 0.666667 0.687772 I\n0.333333 0.666667 0.562777 I\n-0.000000 -0.000000 -0.000286 I\n0.333333 0.666667 0.812772 I\n0.666667 0.333333 0.249704 I\n0.000000 0.000000 0.499745 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.555989782267704,
"density_atomic": 0.027408900133756155,
"volume": 875.6279851755951,
"volume_molar": 21.971479083844276,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001533333333333,
"spacegroup": 156
},
{
"id": "jvasp-58922",
"created_at": "2022-09-04T14:37:10.668346Z",
"updated_at": "2022-09-04T14:37:10.668373Z",
"structure_string": "Cd8 O2 F12\n1.0\n7.584569 0.000000 0.000000\n0.000000 7.584569 -0.000000\n-0.000000 0.000000 5.482510\nCd O F\n8 2 12\ndirect\n0.251231 0.000000 0.302638 Cd\n0.500000 0.248769 0.802638 Cd\n0.500000 0.751231 0.802638 Cd\n0.748769 0.000000 0.302638 Cd\n0.248769 0.500000 0.197362 Cd\n0.751231 0.500000 0.197362 Cd\n0.000000 0.251231 0.697362 Cd\n0.000000 0.748769 0.697362 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.075804 F\n0.500000 0.000000 0.575804 F\n0.287768 0.287768 0.500000 F\n0.787768 0.212232 0.000000 F\n0.212232 0.787768 0.000000 F\n0.787768 0.787768 0.000000 F\n0.212232 0.212232 0.000000 F\n0.712232 0.287768 0.500000 F\n0.287768 0.712232 0.500000 F\n0.000000 0.500000 0.924196 F\n0.712232 0.712232 0.500000 F\n0.000000 0.500000 0.424196 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-O",
"density": 6.103677294831489,
"density_atomic": 0.06975597848168678,
"volume": 315.38515377252884,
"volume_molar": 8.633153589238244,
"formula_full": "Cd8 O2 F12",
"formula_reduced": "Cd4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 137
},
{
"id": "jvasp-87844",
"created_at": "2022-09-04T14:36:15.598439Z",
"updated_at": "2022-09-04T14:36:15.598466Z",
"structure_string": "Cd8 P16\n1.0\n5.345925 -0.000000 0.000000\n-0.000000 5.345925 -0.000000\n-0.000000 -0.000000 20.012140\nCd P\n8 16\ndirect\n0.151810 0.625207 0.047653 Cd\n0.125208 0.348189 0.797653 Cd\n0.651810 0.874791 0.702347 Cd\n0.348189 0.125208 0.202347 Cd\n0.848189 0.374792 0.547653 Cd\n0.625207 0.151810 0.952347 Cd\n0.374792 0.848189 0.452347 Cd\n0.874791 0.651810 0.297653 Cd\n0.714755 0.192317 0.434823 P\n0.285244 0.807682 0.934823 P\n0.192317 0.714755 0.565177 P\n0.692316 0.785244 0.184823 P\n0.021707 0.020771 0.374149 P\n0.214756 0.307683 0.315177 P\n0.807682 0.285244 0.065177 P\n0.979228 0.978292 0.125851 P\n0.521707 0.479228 0.375851 P\n0.478292 0.520771 0.875851 P\n0.479228 0.521707 0.624149 P\n0.520771 0.478292 0.124149 P\n0.020771 0.021707 0.625851 P\n0.978292 0.979228 0.874149 P\n0.785244 0.692316 0.815177 P\n0.307683 0.214756 0.684823 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 4.0498879985558025,
"density_atomic": 0.04196352728582293,
"volume": 571.9252301297423,
"volume_molar": 14.350892666819588,
"formula_full": "Cd8 P16",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4400775,
"spacegroup": 92
},
{
"id": "jvasp-59151",
"created_at": "2022-09-04T14:38:34.014706Z",
"updated_at": "2022-09-04T14:38:34.014738Z",
"structure_string": "Cd8 P4 Cl8\n1.0\n0.000000 7.805580 -0.016001\n9.042126 0.000000 0.000000\n0.000000 -3.987420 -6.972719\nCd P Cl\n8 4 8\ndirect\n0.432873 0.423802 0.727337 Cd\n0.567127 0.923802 0.772663 Cd\n0.567127 0.576199 0.272662 Cd\n0.432873 0.076198 0.227337 Cd\n0.973212 0.296971 0.795238 Cd\n0.026788 0.796972 0.704762 Cd\n0.026788 0.703029 0.204762 Cd\n0.973212 0.203029 0.295238 Cd\n0.068213 0.391725 0.557590 P\n0.931787 0.608275 0.442410 P\n0.068213 0.108275 0.057590 P\n0.931787 0.891726 0.942410 P\n0.240380 0.033162 0.694285 Cl\n0.240380 0.466839 0.194285 Cl\n0.759620 0.533162 0.805715 Cl\n0.759620 0.966839 0.305715 Cl\n0.580642 0.199071 0.575032 Cl\n0.419358 0.699071 0.924968 Cl\n0.419358 0.800929 0.424968 Cl\n0.580642 0.300929 0.075032 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"P",
"Cl"
],
"chemical_system": "Cd-Cl-P",
"density": 4.404269149003444,
"density_atomic": 0.04059226464990717,
"volume": 492.7047104292501,
"volume_molar": 14.835685596599921,
"formula_full": "Cd8 P4 Cl8",
"formula_reduced": "Cd2PCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1908343666666668,
"spacegroup": 14
},
{
"id": "jvasp-36508",
"created_at": "2022-09-04T14:37:31.638201Z",
"updated_at": "2022-09-04T14:37:31.638227Z",
"structure_string": "Cd8 S2 F12\n1.0\n5.566766 -0.000437 -0.000475\n-0.000849 7.948966 0.000121\n-0.000813 0.000013 7.949052\nCd S F\n8 2 12\ndirect\n0.516206 0.250020 0.485989 Cd\n0.516212 0.250056 0.013991 Cd\n0.016200 0.485990 0.250024 Cd\n0.016201 0.013987 0.250024 Cd\n0.483797 0.749944 0.514008 Cd\n0.483777 0.749945 0.986007 Cd\n0.983803 0.514009 0.749930 Cd\n0.983790 0.986012 0.749966 Cd\n0.250001 0.750015 0.249986 S\n0.749990 0.249982 0.750006 S\n0.278416 0.250089 0.249945 F\n0.778415 0.249933 0.250081 F\n0.749896 0.535953 0.036168 F\n0.750078 0.536072 0.463974 F\n0.749978 0.963916 0.036084 F\n0.250050 0.464019 0.963825 F\n0.249934 0.036139 0.535980 F\n0.249968 0.036108 0.963930 F\n0.250084 0.463974 0.536064 F\n0.221577 0.750075 0.749932 F\n0.750062 0.963839 0.464006 F\n0.721576 0.749920 0.750068 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 5.62441468916518,
"density_atomic": 0.06254516532642007,
"volume": 351.7458125689349,
"volume_molar": 9.62846725013956,
"formula_full": "Cd8 S2 F12",
"formula_reduced": "Cd4SF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 137
},
{
"id": "jvasp-97866",
"created_at": "2022-09-04T14:36:00.540546Z",
"updated_at": "2022-09-04T14:36:00.540575Z",
"structure_string": "Cd8 S8 O24\n1.0\n5.620448 0.014840 0.000000\n-1.473066 8.373730 0.000000\n0.000000 0.000000 12.609381\nCd S O\n8 8 24\ndirect\n0.676915 0.881951 0.420127 Cd\n0.132970 0.644203 0.256161 Cd\n0.323084 0.618048 0.920126 Cd\n0.867030 0.355797 0.743839 Cd\n0.867029 0.855797 0.756161 Cd\n0.323084 0.118048 0.579873 Cd\n0.676916 0.381951 0.079873 Cd\n0.132970 0.144203 0.243839 Cd\n0.905589 0.258389 0.475256 S\n0.905589 0.758389 0.024744 S\n0.094410 0.241611 0.975256 S\n0.094410 0.741611 0.524744 S\n0.462904 0.031766 0.828649 S\n0.537096 0.968234 0.171351 S\n0.537096 0.468234 0.328649 S\n0.462904 0.531766 0.671351 S\n0.995416 0.738746 0.409766 O\n0.754558 0.984445 0.250732 O\n0.336753 0.861292 0.525781 O\n0.004584 0.261254 0.590234 O\n0.915009 0.340162 0.921877 O\n0.084990 0.659838 0.078123 O\n0.684589 0.588595 0.745822 O\n0.754559 0.484445 0.249268 O\n0.509927 0.861169 0.852597 O\n0.490072 0.138831 0.147403 O\n0.245441 0.515555 0.750732 O\n0.684589 0.088595 0.754178 O\n0.004583 0.761254 0.909766 O\n0.490072 0.638831 0.352597 O\n0.245441 0.015555 0.749267 O\n0.336754 0.361292 0.974219 O\n0.509928 0.361169 0.647403 O\n0.315411 0.411405 0.254178 O\n0.663246 0.138708 0.474219 O\n0.915009 0.840162 0.578123 O\n0.315410 0.911405 0.245822 O\n0.995416 0.238746 0.090234 O\n0.663246 0.638708 0.025781 O\n0.084991 0.159838 0.421877 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.306518118626487,
"density_atomic": 0.06737125886176298,
"volume": 593.7249900892423,
"volume_molar": 8.938738657617556,
"formula_full": "Cd8 S8 O24",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.27986805,
"spacegroup": 14
},
{
"id": "jvasp-9087",
"created_at": "2022-09-04T14:37:32.847301Z",
"updated_at": "2022-09-04T14:37:32.847320Z",
"structure_string": "Cd8 Sb8\n1.0\n6.618534 -0.000000 0.000000\n0.000000 8.371657 0.000000\n0.000000 0.000000 8.666078\nCd Sb\n8 8\ndirect\n0.450024 0.122808 0.866656 Cd\n0.950024 0.377192 0.133344 Cd\n0.549975 0.622808 0.633344 Cd\n0.049976 0.877192 0.366656 Cd\n0.549975 0.877192 0.133344 Cd\n0.049976 0.622808 0.866656 Cd\n0.450024 0.377192 0.366656 Cd\n0.950024 0.122808 0.633344 Cd\n0.139408 0.074156 0.104181 Sb\n0.639408 0.425844 0.895820 Sb\n0.860592 0.574156 0.395820 Sb\n0.360592 0.925844 0.604181 Sb\n0.860592 0.925844 0.895820 Sb\n0.360592 0.574156 0.104181 Sb\n0.139408 0.425844 0.604181 Sb\n0.639408 0.074156 0.395820 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cd",
"Sb"
],
"chemical_system": "Cd-Sb",
"density": 6.478528458681743,
"density_atomic": 0.03332147047186024,
"volume": 480.17088602112847,
"volume_molar": 18.0728541529572,
"formula_full": "Cd8 Sb8",
"formula_reduced": "CdSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 61
},
{
"id": "jvasp-24263",
"created_at": "2022-09-04T14:38:06.440542Z",
"updated_at": "2022-09-04T14:38:06.440572Z",
"structure_string": "Cd8 Se8 O24\n1.0\n0.000000 5.813967 -0.010624\n12.918994 0.000000 0.000000\n0.000000 -1.675696 -8.460574\nCd Se O\n8 8 24\ndirect\n0.618002 0.758000 0.139430 Cd\n0.177841 0.576290 0.883020 Cd\n0.381998 0.258000 0.360570 Cd\n0.822159 0.076290 0.616979 Cd\n0.381997 0.242000 0.860569 Cd\n0.177841 0.923710 0.383020 Cd\n0.618002 0.742000 0.639429 Cd\n0.822159 0.423710 0.116979 Cd\n0.023320 0.666606 0.466722 Se\n0.582158 0.029206 0.230547 Se\n0.976680 0.166607 0.033277 Se\n0.582157 0.470793 0.730547 Se\n0.417842 0.529206 0.269452 Se\n0.976679 0.333393 0.533277 Se\n0.417842 0.970793 0.769452 Se\n0.023320 0.833393 0.966722 Se\n0.240541 0.761124 0.495460 O\n0.959058 0.641626 0.650522 O\n0.040941 0.141626 0.849477 O\n0.759459 0.261124 0.004540 O\n0.225469 0.241433 0.093709 O\n0.399706 0.419649 0.848915 O\n0.457004 0.907216 0.218727 O\n0.542996 0.092784 0.781272 O\n0.457004 0.592784 0.718726 O\n0.600293 0.919649 0.651084 O\n0.240541 0.738875 -0.004540 O\n0.959058 0.858373 0.150523 O\n0.774531 0.758567 0.906290 O\n0.840079 0.478099 0.866733 O\n0.600294 0.580350 0.151084 O\n0.840079 0.021901 0.366733 O\n0.542996 0.407216 0.281273 O\n0.159921 0.521901 0.133267 O\n0.225468 0.258567 0.593709 O\n0.159921 0.978099 0.633266 O\n0.759459 0.238876 0.504539 O\n0.040942 0.358374 0.349477 O\n0.774531 0.741433 0.406290 O\n0.399706 0.080350 0.348916 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cd",
"Se",
"O"
],
"chemical_system": "Cd-O-Se",
"density": 5.002062509466479,
"density_atomic": 0.06292188914182752,
"volume": 635.7088216127618,
"volume_molar": 9.570820015314453,
"formula_full": "Cd8 Se8 O24",
"formula_reduced": "CdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2205187233333334,
"spacegroup": 14
},
{
"id": "jvasp-120665",
"created_at": "2022-09-04T14:38:51.628668Z",
"updated_at": "2022-09-04T14:38:51.628684Z",
"structure_string": "Cd8 Sn2 N8\n1.0\n6.038327 0.005758 0.372028\n2.091482 5.237165 2.243933\n0.005761 -0.017283 9.120491\nCd Sn N\n8 2 8\ndirect\n0.714783 0.633177 0.207688 Cd\n0.285216 0.366825 0.792311 Cd\n0.751350 0.238638 0.995424 Cd\n0.248649 0.761364 0.004575 Cd\n0.750053 0.478929 0.588941 Cd\n0.249947 0.521072 0.411058 Cd\n0.248080 0.924045 0.585574 Cd\n0.751919 0.075957 0.414426 Cd\n0.272901 0.159903 0.212859 Sn\n0.727098 0.840099 0.787140 Sn\n0.955125 0.704714 0.622238 N\n0.044874 0.295288 0.377762 N\n0.853692 0.834223 0.993402 N\n0.146307 0.165779 0.006598 N\n0.476444 0.662915 0.811839 N\n0.523555 0.337087 0.188160 N\n0.444549 0.781272 0.370468 N\n0.555450 0.218730 0.629532 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"N"
],
"chemical_system": "Cd-N-Sn",
"density": 7.186995370297549,
"density_atomic": 0.06238658843885248,
"volume": 288.52355050064165,
"volume_molar": 9.652941298276847,
"formula_full": "Cd8 Sn2 N8",
"formula_reduced": "Cd4SnN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.808571522222222,
"spacegroup": 2
},
{
"id": "jvasp-98198",
"created_at": "2022-09-04T14:36:17.190018Z",
"updated_at": "2022-09-04T14:36:17.190051Z",
"structure_string": "Cd9 Au9\n1.0\n8.268347 0.000001 -0.000000\n-4.134175 7.160598 -0.000000\n0.000000 0.000000 5.903079\nCd Au\n9 9\ndirect\n0.333358 0.314415 0.213086 Cd\n0.333334 0.666667 0.646198 Cd\n0.666667 0.333333 0.500359 Cd\n0.333339 0.980062 0.914413 Cd\n0.000000 0.000000 0.500364 Cd\n0.646724 0.666662 0.914413 Cd\n0.685585 0.018942 0.213086 Cd\n0.981059 0.666643 0.213086 Cd\n0.019939 0.353276 0.914413 Cd\n0.333334 0.666667 0.153716 Au\n0.333305 0.308503 0.712811 Au\n0.975199 0.666695 0.712811 Au\n0.691497 0.024802 0.712811 Au\n0.644769 0.666684 0.416104 Au\n0.021915 0.355231 0.416104 Au\n0.333317 0.978085 0.416104 Au\n0.666667 0.333333 0.994043 Au\n0.000000 0.000000 0.994084 Au\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"Au"
],
"chemical_system": "Au-Cd",
"density": 13.229207134892139,
"density_atomic": 0.05150221316597673,
"volume": 349.4995436796319,
"volume_molar": 11.692974708858397,
"formula_full": "Cd9 Au9",
"formula_reduced": "CdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 157
}
]
}