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=formula_anonymous&page=382",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=380",
"results": [
{
"id": "jvasp-104024",
"created_at": "2022-09-04T14:37:02.967353Z",
"updated_at": "2022-09-04T14:37:02.967386Z",
"structure_string": "H32 C16 O10\n1.0\n5.653373 0.000000 -0.456723\n0.000000 7.821754 0.000000\n0.081289 0.000000 9.950165\nH C O\n32 16 10\ndirect\n0.347101 0.126258 0.154452 H\n0.379641 0.193199 0.888228 H\n0.620359 0.693198 0.111773 H\n0.925197 0.511490 0.070439 H\n0.225511 0.765768 0.010208 H\n0.774489 0.265769 0.989793 H\n0.157082 0.986412 0.617624 H\n0.842918 0.486412 0.382376 H\n0.291406 0.936198 0.464167 H\n0.708594 0.436199 0.535834 H\n0.094914 0.788111 0.534404 H\n0.905086 0.288111 0.465596 H\n0.782938 0.868438 0.742574 H\n0.217062 0.368438 0.257427 H\n0.708927 -0.017146 0.591319 H\n0.291073 0.482854 0.408682 H\n0.074803 0.011490 0.929562 H\n0.431565 0.534158 0.259643 H\n0.652899 0.626258 0.845549 H\n0.552452 0.935145 0.004178 H\n0.447548 0.435145 0.995822 H\n0.568435 0.034159 0.740358 H\n0.007256 0.078465 0.144511 H\n0.992743 0.578464 0.855490 H\n0.075709 0.792846 0.237329 H\n0.727281 0.782630 0.385567 H\n0.272718 0.282630 0.614433 H\n0.853839 -0.008344 0.372250 H\n0.146161 0.491656 0.627751 H\n0.489709 0.195706 0.416698 H\n0.510290 0.695706 0.583302 H\n0.924291 0.292846 0.762672 H\n0.559952 0.302667 0.359352 C\n0.440048 0.802667 0.640648 C\n0.233193 0.883964 0.558764 C\n0.636582 0.928925 0.681695 C\n0.766807 0.383964 0.441237 C\n0.243563 0.388792 0.683166 C\n0.363418 0.428925 0.318305 C\n0.756437 0.888792 0.316834 C\n0.094834 0.472192 0.903888 C\n0.894564 0.827574 0.200062 C\n0.905165 0.972192 0.096112 C\n0.343448 0.538348 0.945607 C\n0.656551 0.038348 0.054394 C\n0.467035 0.591712 0.819703 C\n0.532965 0.091712 0.180298 C\n0.105435 0.327574 0.799938 C\n0.209387 0.174541 0.857952 O\n0.790612 0.674541 0.142049 O\n0.980356 0.411125 0.018612 O\n0.019644 0.911125 0.981389 O\n0.477075 0.447693 0.730220 O\n0.659319 0.173685 0.958269 O\n0.522924 0.947693 0.269781 O\n0.660467 0.229977 0.240323 O\n0.340680 0.673685 0.041732 O\n0.339533 0.729976 0.759678 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4498585728759183,
"density_atomic": 0.13173445406697404,
"volume": 440.2796550894172,
"volume_molar": 4.5714242357115875,
"formula_full": "H32 C16 O10",
"formula_reduced": "H16C8O5",
"formula_anonymous": "A5B8C16",
"energy_above_hull": 4.482094741379311,
"spacegroup": 4
},
{
"id": "jvasp-30085",
"created_at": "2022-09-04T14:37:51.674576Z",
"updated_at": "2022-09-04T14:37:51.674605Z",
"structure_string": "Mg5 H8 O9\n1.0\n3.129561 -0.000007 -0.000006\n-1.564787 2.710290 -0.000000\n-0.000006 -0.000004 21.503773\nMg H O\n5 8 9\ndirect\n-0.000000 0.000001 0.500000 Mg\n0.000015 0.000008 0.281109 Mg\n-0.000016 -0.000007 0.718891 Mg\n0.333369 0.666684 0.056540 Mg\n0.666629 0.333316 0.943460 Mg\n0.666681 0.333342 0.812955 H\n0.333316 0.666659 0.187045 H\n0.666652 0.333326 0.375456 H\n0.333345 0.666674 0.624544 H\n0.666673 0.333337 0.150591 H\n0.333348 0.666675 0.405674 H\n0.666650 0.333326 0.594326 H\n0.333325 0.666664 0.849409 H\n0.333328 0.666664 0.232228 O\n0.666672 0.333336 0.549060 O\n0.333326 0.666664 0.450940 O\n0.666711 0.333355 0.105326 O\n0.333287 0.666646 0.894674 O\n0.000000 0.000000 0.000000 O\n0.666675 0.333338 0.330190 O\n0.333323 0.666663 0.669810 O\n0.666669 0.333336 0.767772 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.4907211335584476,
"density_atomic": 0.12061724123854682,
"volume": 182.3951515894002,
"volume_molar": 4.992769440058662,
"formula_full": "Mg5 H8 O9",
"formula_reduced": "Mg5H8O9",
"formula_anonymous": "A5B8C9",
"energy_above_hull": 2.106671670454545,
"spacegroup": 164
},
{
"id": "jvasp-42210",
"created_at": "2022-09-04T14:36:54.830027Z",
"updated_at": "2022-09-04T14:36:54.830048Z",
"structure_string": "Tb5 O9\n1.0\n5.339457 -2.669728 2.814516\n0.000000 -0.000000 5.629032\n-2.669728 -5.339457 -2.814516\nTb O\n5 9\ndirect\n0.998654 0.983881 0.027734 Tb\n0.201347 0.554800 0.372266 Tb\n0.427734 0.217465 0.801347 Tb\n0.772266 0.443853 0.598654 Tb\n0.600000 0.800000 0.200000 Tb\n0.100000 0.550000 0.700000 O\n0.317342 0.642028 0.108096 O\n0.691905 0.866068 0.917343 O\n0.508096 0.240629 0.482658 O\n0.747164 0.316436 0.878086 O\n0.452837 0.785516 0.521915 O\n0.278085 0.136400 0.052836 O\n0.882659 0.451275 0.291904 O\n0.921916 0.961648 0.347164 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.769653321247039,
"density_atomic": 0.06978951028800813,
"volume": 200.60321303623772,
"volume_molar": 8.629005612946361,
"formula_full": "Tb5 O9",
"formula_reduced": "Tb5O9",
"formula_anonymous": "A5B9",
"energy_above_hull": 2.3125802499999994,
"spacegroup": 82
},
{
"id": "jvasp-34172",
"created_at": "2022-09-04T14:37:28.906684Z",
"updated_at": "2022-09-04T14:37:28.906709Z",
"structure_string": "Mg18 Sn10\n1.0\n8.790197 0.048783 -1.092622\n-1.242779 8.702037 -1.092622\n0.042074 0.048783 8.857743\nMg Sn\n18 10\ndirect\n0.650884 0.339203 0.247184 Mg\n0.665132 0.597464 0.968408 Mg\n0.597464 0.968408 0.665133 Mg\n0.989199 0.071543 0.670882 Mg\n0.071543 0.670882 0.989199 Mg\n0.000717 0.918417 0.319099 Mg\n0.918417 0.319099 0.000718 Mg\n0.319098 0.000717 0.918416 Mg\n0.968408 0.665132 0.597464 Mg\n0.670882 0.989200 0.071544 Mg\n0.324804 0.392432 0.021476 Mg\n0.021475 0.324804 0.392432 Mg\n0.742731 0.339031 0.650709 Mg\n0.650709 0.742731 0.339031 Mg\n0.339031 0.650709 0.742731 Mg\n0.247184 0.650884 0.339204 Mg\n0.339203 0.247184 0.650883 Mg\n0.392432 0.021475 0.324804 Mg\n0.244970 0.906870 0.583444 Sn\n0.406510 0.744939 0.083054 Sn\n0.083053 0.406510 0.744938 Sn\n0.744939 0.083053 0.406510 Sn\n0.863124 0.863124 0.863124 Sn\n0.626451 0.626451 0.626452 Sn\n0.126827 0.126827 0.126827 Sn\n0.906870 0.583444 0.244970 Sn\n0.363495 0.363495 0.363495 Sn\n0.583444 0.244970 0.906869 Sn\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.9729153897119587,
"density_atomic": 0.04123580472335459,
"volume": 679.0215490602934,
"volume_molar": 14.604154812551187,
"formula_full": "Mg18 Sn10",
"formula_reduced": "Mg9Sn5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.0888774918367347,
"spacegroup": 148
},
{
"id": "jvasp-101985",
"created_at": "2022-09-04T14:36:43.433958Z",
"updated_at": "2022-09-04T14:36:43.433986Z",
"structure_string": "H36 C20\n1.0\n4.304682 0.000000 -2.789917\n0.000000 10.234709 0.000000\n-0.027778 0.000000 9.134339\nH C\n36 20\ndirect\n0.004380 0.231218 0.964326 H\n0.369409 0.067172 0.547203 H\n0.630590 0.932828 0.452797 H\n0.630590 0.567172 0.952797 H\n0.369409 0.432828 0.047203 H\n0.444245 0.152969 0.734091 H\n0.555754 0.847031 0.265908 H\n0.555754 0.652969 0.765908 H\n0.939815 0.069717 0.661845 H\n0.060184 0.930283 0.338155 H\n0.060184 0.569717 0.838155 H\n0.939815 0.430283 0.161845 H\n0.801320 0.230736 0.646724 H\n0.198679 0.769264 0.353276 H\n0.198678 0.730736 0.853276 H\n0.801321 0.269264 0.146724 H\n0.387292 0.586523 0.266356 H\n0.612707 0.413477 0.733643 H\n0.444245 0.347031 0.234091 H\n0.387291 0.913477 0.766356 H\n0.612708 0.086523 0.233643 H\n0.995619 0.768782 0.035673 H\n0.995619 0.731218 0.535673 H\n0.004380 0.268782 0.464326 H\n0.308809 0.194072 0.933971 H\n0.691190 0.694072 0.566029 H\n0.308809 0.305928 0.433971 H\n0.247180 0.956706 0.966127 H\n0.691190 0.805929 0.066029 H\n0.752819 0.043294 0.033872 H\n0.752819 0.456706 0.533872 H\n0.247180 0.543295 0.466127 H\n0.693009 0.878746 0.735901 H\n0.306990 0.121254 0.264099 H\n0.306990 0.378746 0.764099 H\n0.693009 0.621254 0.235901 H\n0.393805 0.452969 0.712289 C\n0.846477 0.137241 0.717135 C\n0.544535 0.418741 0.187668 C\n0.455464 0.581260 0.812332 C\n0.455464 0.918741 0.312332 C\n0.544535 0.081260 0.687668 C\n0.606194 0.547031 0.287710 C\n0.153522 0.862759 0.282865 C\n0.393805 0.047031 0.212289 C\n0.911107 0.843880 0.087499 C\n0.152204 0.470902 0.515985 C\n0.847794 0.529098 0.484014 C\n0.847794 0.970902 0.984014 C\n0.152205 0.029098 0.015985 C\n0.088893 0.343880 0.412500 C\n0.911106 0.656120 0.587499 C\n0.088892 0.156120 0.912500 C\n0.153522 0.637241 0.782865 C\n0.606194 0.952969 0.787710 C\n0.846477 0.362759 0.217135 C\n",
"nsites": 56,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.143160204183627,
"density_atomic": 0.1394283675315614,
"volume": 401.63993161093043,
"volume_molar": 4.319164648210351,
"formula_full": "H36 C20",
"formula_reduced": "H9C5",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.697353571428571,
"spacegroup": 14
},
{
"id": "jvasp-9076",
"created_at": "2022-09-04T14:37:27.179628Z",
"updated_at": "2022-09-04T14:37:27.179650Z",
"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"Al"
],
"chemical_system": "Al-Sr",
"density": 3.1812508777771975,
"density_atomic": 0.039388726117913615,
"volume": 355.43165214558525,
"volume_molar": 15.288995998429074,
"formula_full": "Sr5 Al9",
"formula_reduced": "Sr5Al9",
"formula_anonymous": "A5B9",
"energy_above_hull": 1.0676461964285715,
"spacegroup": 166
},
{
"id": "jvasp-104023",
"created_at": "2022-09-04T14:36:59.562359Z",
"updated_at": "2022-09-04T14:36:59.562377Z",
"structure_string": "H36 C20\n1.0\n10.993244 0.000000 -3.445269\n0.000000 4.748458 0.000000\n0.084672 0.000000 8.444876\nH C\n36 20\ndirect\n0.544781 0.343345 0.734874 H\n0.865445 0.292454 0.591191 H\n0.134555 0.707546 0.408809 H\n0.134555 0.792454 0.908809 H\n0.865445 0.207546 0.091191 H\n0.931671 0.032626 0.739039 H\n0.068329 0.967374 0.260961 H\n0.068329 0.532626 0.760962 H\n0.879250 0.969043 0.362712 H\n0.120749 0.030958 0.637288 H\n0.120750 0.469043 0.137288 H\n0.879250 0.530958 0.862712 H\n0.945612 0.706793 0.509054 H\n0.054387 0.293208 0.490946 H\n0.054387 0.206792 0.990946 H\n0.945613 0.793208 0.009054 H\n0.756827 0.790426 0.118450 H\n0.243172 0.209574 0.881550 H\n0.931671 0.467374 0.239038 H\n0.756827 0.709574 0.618450 H\n0.243172 0.290426 0.381550 H\n0.455218 0.656655 0.265126 H\n0.455218 0.843345 0.765126 H\n0.544781 0.156655 0.234874 H\n0.543888 0.273121 0.518490 H\n0.456111 0.773121 0.981510 H\n0.543888 0.226879 0.018490 H\n0.725846 0.045783 0.835976 H\n0.456112 0.726879 0.481510 H\n0.274153 0.954218 0.164024 H\n0.274153 0.545783 0.664024 H\n0.725846 0.454218 0.335976 H\n0.692156 0.958233 0.461452 H\n0.307843 0.041768 0.538548 H\n0.307843 0.458233 0.038547 H\n0.692156 0.541768 0.961453 H\n0.252254 0.437321 0.908913 C\n0.937209 0.936948 0.490504 C\n0.874364 0.437248 0.110762 C\n0.125635 0.562752 0.889238 C\n0.125635 0.937248 0.389238 C\n0.874364 0.062752 0.610762 C\n0.747745 0.562679 0.091087 C\n0.062790 0.063053 0.509496 C\n0.252254 0.062679 0.408913 C\n0.413093 0.759953 0.349717 C\n0.685061 0.422659 0.202907 C\n0.314938 0.577341 0.797093 C\n0.314938 0.922659 0.297093 C\n0.685061 0.077341 0.702907 C\n0.586906 0.259953 0.150283 C\n0.413093 0.740048 0.849717 C\n0.586906 0.240047 0.650283 C\n0.062790 0.436947 0.009496 C\n0.747745 0.937321 0.591087 C\n0.937209 0.563053 0.990504 C\n",
"nsites": 56,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0382685627724013,
"density_atomic": 0.126634998521557,
"volume": 442.2158222749705,
"volume_molar": 4.7555105857839575,
"formula_full": "H36 C20",
"formula_reduced": "H9C5",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.701415714285714,
"spacegroup": 14
},
{
"id": "jvasp-33315",
"created_at": "2022-09-04T14:37:06.369211Z",
"updated_at": "2022-09-04T14:37:06.369238Z",
"structure_string": "B5 H9\n1.0\n-3.509441 3.509441 2.590914\n3.509441 -3.509441 2.590914\n3.509441 3.509441 -2.590914\nB H\n5 9\ndirect\n0.234120 0.234120 0.000000 B\n0.198493 0.017804 0.180689 B\n0.837115 0.017804 0.819311 B\n0.017804 0.198493 0.180689 B\n0.017804 0.837115 0.819311 B\n0.463630 0.463630 0.000000 H\n0.396276 0.047682 0.348593 H\n0.699088 0.047682 0.651406 H\n0.047682 0.396276 0.348593 H\n0.047682 0.699088 0.651406 H\n0.981884 0.706765 0.000000 H\n0.706765 0.981884 0.000000 H\n0.706766 0.706766 0.724881 H\n0.981884 0.981884 0.275119 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.8212429474556479,
"density_atomic": 0.10968295832242175,
"volume": 127.64061267244351,
"volume_molar": 5.490498115757818,
"formula_full": "B5 H9",
"formula_reduced": "B5H9",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.017581636904762,
"spacegroup": 107
},
{
"id": "jvasp-97624",
"created_at": "2022-09-04T14:35:48.758808Z",
"updated_at": "2022-09-04T14:35:48.758827Z",
"structure_string": "Mg18 Si10\n1.0\n7.146364 0.000000 -0.000000\n-3.573182 6.188933 -0.000000\n0.000000 0.000000 12.284887\nMg Si\n18 10\ndirect\n0.321800 0.916849 0.583549 Mg\n0.275236 0.928535 0.250000 Mg\n0.724764 0.071465 0.750000 Mg\n0.928535 0.653299 0.750000 Mg\n0.653299 0.724764 0.250000 Mg\n0.595049 0.678200 0.916452 Mg\n0.916849 0.595049 0.416452 Mg\n0.678200 0.083151 0.416452 Mg\n0.321800 0.916849 0.916452 Mg\n0.083151 0.404950 0.916452 Mg\n0.404950 0.321800 0.416452 Mg\n0.404950 0.321800 0.083548 Mg\n0.083151 0.404950 0.583549 Mg\n0.346700 0.275236 0.750000 Mg\n0.678200 0.083151 0.083548 Mg\n0.916849 0.595049 0.083548 Mg\n0.595049 0.678200 0.583549 Mg\n0.071465 0.346700 0.250000 Mg\n0.333333 0.666667 0.412771 Si\n0.666667 0.333333 0.912772 Si\n0.666667 0.333333 0.587229 Si\n0.333333 0.666667 0.087229 Si\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.102145 Si\n0.000000 0.000000 0.602145 Si\n0.000000 0.000000 0.897856 Si\n0.000000 0.000000 0.397856 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1953819553805105,
"density_atomic": 0.051533062321219104,
"volume": 543.3405029468005,
"volume_molar": 11.685974961981527,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.9932065673469388,
"spacegroup": 176
},
{
"id": "jvasp-54801",
"created_at": "2022-09-04T14:37:43.556114Z",
"updated_at": "2022-09-04T14:37:43.556134Z",
"structure_string": "Hf10 Sb18\n1.0\n8.869779 -0.000000 0.000000\n0.000000 8.869779 -0.000000\n-0.000000 0.000000 8.714583\nHf Sb\n10 18\ndirect\n-0.000000 0.500000 0.255979 Hf\n0.293256 0.394680 0.732785 Hf\n0.706744 0.605320 0.732785 Hf\n0.105320 0.793257 0.732785 Hf\n0.394680 0.706744 0.267214 Hf\n0.206744 0.105320 0.267214 Hf\n0.894680 0.206744 0.732785 Hf\n0.605320 0.293256 0.267214 Hf\n0.500000 0.000000 0.744021 Hf\n0.793257 0.894680 0.267214 Hf\n0.420102 0.231613 0.997613 Sb\n0.403113 0.696618 0.620182 Sb\n0.231613 0.579898 0.002387 Sb\n-0.000000 0.500000 0.610008 Sb\n0.096888 0.803382 0.379818 Sb\n0.579898 0.768387 0.997613 Sb\n0.731613 0.079898 0.997613 Sb\n0.196618 0.096888 0.620182 Sb\n0.596888 0.303382 0.620182 Sb\n0.079898 0.268387 0.002387 Sb\n0.903113 0.196618 0.379818 Sb\n0.803382 0.903113 0.620182 Sb\n0.768387 0.420102 0.002387 Sb\n0.696618 0.596888 0.379818 Sb\n0.268387 0.920102 0.997613 Sb\n0.920102 0.731613 0.002387 Sb\n0.500000 0.000000 0.389991 Sb\n0.303382 0.403113 0.379818 Sb\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Hf",
"Sb"
],
"chemical_system": "Hf-Sb",
"density": 9.631337745411873,
"density_atomic": 0.04084000839013498,
"volume": 685.602209787094,
"volume_molar": 14.745689331089036,
"formula_full": "Hf10 Sb18",
"formula_reduced": "Hf5Sb9",
"formula_anonymous": "A5B9",
"energy_above_hull": 3.670352135714285,
"spacegroup": 85
},
{
"id": "jvasp-98390",
"created_at": "2022-09-04T14:36:21.006200Z",
"updated_at": "2022-09-04T14:36:21.006224Z",
"structure_string": "Rb6 Si10 O23\n1.0\n8.104686 0.000000 0.000000\n0.000000 8.085766 -4.658753\n0.000000 0.078873 9.483127\nRb Si O\n6 10 23\ndirect\n0.500000 0.260094 0.243420 Rb\n0.500000 0.772073 0.000000 Rb\n0.500000 0.016674 0.756581 Rb\n0.000000 0.769594 0.000000 Rb\n0.000000 0.253913 0.238708 Rb\n0.000000 0.015205 0.761292 Rb\n0.812321 0.702547 0.341066 Si\n0.690156 0.030883 0.406296 Si\n0.690156 0.624587 0.593704 Si\n0.701087 0.414490 0.000000 Si\n0.187680 0.361481 0.658935 Si\n0.309844 0.624587 0.593704 Si\n0.309844 0.030883 0.406296 Si\n0.812321 0.361481 0.658935 Si\n0.298914 0.414490 0.000000 Si\n0.187680 0.702547 0.341066 Si\n0.771471 0.439113 0.849128 O\n0.500000 0.640610 0.539878 O\n0.746370 0.009357 0.237194 O\n0.307188 0.436714 0.574023 O\n0.000000 0.774011 0.358872 O\n0.746370 0.772163 0.762806 O\n0.253631 0.772163 0.762806 O\n0.751480 0.250894 0.000000 O\n0.692813 0.436714 0.574023 O\n0.500000 0.443521 0.000000 O\n0.800057 0.161849 0.567636 O\n0.199943 0.594213 0.432364 O\n0.228529 0.439113 0.849128 O\n0.307188 0.862692 0.425978 O\n0.253631 0.009357 0.237194 O\n0.248521 0.250894 0.000000 O\n0.199943 0.161849 0.567636 O\n0.000000 0.415139 0.641129 O\n0.228529 0.589986 0.150873 O\n0.771471 0.589986 0.150873 O\n0.692813 0.862692 0.425978 O\n0.500000 0.100732 0.460123 O\n0.800057 0.594213 0.432364 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 3.0891465236662303,
"density_atomic": 0.06245676253118437,
"volume": 624.4319817334028,
"volume_molar": 9.642095612934105,
"formula_full": "Rb6 Si10 O23",
"formula_reduced": "Rb6Si10O23",
"formula_anonymous": "A6B10C23",
"energy_above_hull": 2.627951448717948,
"spacegroup": 38
},
{
"id": "jvasp-87958",
"created_at": "2022-09-04T14:35:59.720984Z",
"updated_at": "2022-09-04T14:35:59.721022Z",
"structure_string": "Rb6 Si10 O23\n1.0\n8.075858 0.000000 0.000000\n0.000000 8.138226 -4.670113\n0.000000 0.009386 9.442325\nRb Si O\n6 10 23\ndirect\n0.000000 0.757603 0.000000 Rb\n0.500000 0.990233 0.763292 Rb\n0.500000 0.226941 0.236709 Rb\n0.500000 0.749260 0.000000 Rb\n0.000000 0.243281 0.243487 Rb\n0.000000 -0.000205 0.756513 Rb\n0.200982 0.401224 0.000000 Si\n0.799018 0.401224 0.000000 Si\n0.190926 0.588983 0.610467 Si\n0.809074 0.978517 0.389533 Si\n0.190926 0.978517 0.389533 Si\n0.311939 0.308281 0.652232 Si\n0.688061 0.656049 0.347768 Si\n0.688061 0.308281 0.652232 Si\n0.311939 0.656049 0.347768 Si\n0.809074 0.588983 0.610467 Si\n0.500000 0.606745 0.374301 O\n0.751442 0.237389 0.000000 O\n0.248558 0.237389 0.000000 O\n0.186666 0.152123 0.569789 O\n0.000000 0.534153 0.629195 O\n0.813334 0.582334 0.430211 O\n0.813334 0.152123 0.569789 O\n0.186666 0.582334 0.430211 O\n0.302518 0.855423 0.433382 O\n0.697482 0.422041 0.566618 O\n0.697482 0.855423 0.433382 O\n0.302518 0.422041 0.566618 O\n0.000000 0.904959 0.370806 O\n0.250181 0.997135 0.239629 O\n0.749819 0.997135 0.239629 O\n0.250181 0.757506 0.760372 O\n0.272965 0.576766 0.154209 O\n0.727035 0.422557 0.845791 O\n0.727035 0.576766 0.154209 O\n0.272965 0.422557 0.845791 O\n0.000000 0.433146 0.000000 O\n0.749819 0.757506 0.760372 O\n0.500000 0.232443 0.625699 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 3.1065519430027466,
"density_atomic": 0.0628086675424644,
"volume": 620.9334081738389,
"volume_molar": 9.58807278617793,
"formula_full": "Rb6 Si10 O23",
"formula_reduced": "Rb6Si10O23",
"formula_anonymous": "A6B10C23",
"energy_above_hull": 2.627995807692307,
"spacegroup": 38
}
]
}