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=-nsites&page=152",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=150",
"results": [
{
"id": "jvasp-116787",
"created_at": "2022-09-04T14:38:41.789604Z",
"updated_at": "2022-09-04T14:38:41.789634Z",
"structure_string": "Mo2 H16 N4 O8\n1.0\n6.448911 0.094821 2.650853\n2.585621 5.908638 2.650853\n0.037619 0.024998 7.747169\nMo H N O\n2 16 4 8\ndirect\n0.208224 0.208225 0.245911 Mo\n0.791775 0.791776 0.754089 Mo\n0.058791 0.058792 0.761880 H\n0.941209 0.941209 0.238120 H\n0.683553 0.922311 0.306380 H\n0.316447 0.077690 0.693620 H\n0.922310 0.683554 0.306380 H\n0.870277 0.870277 0.092468 H\n0.129723 0.129723 0.907532 H\n0.077690 0.316447 0.693620 H\n0.272417 0.505370 0.382191 H\n0.505369 0.272417 0.382192 H\n0.727583 0.494631 0.617808 H\n0.333644 0.333644 0.881492 H\n0.666356 0.666356 0.118507 H\n0.530138 0.530139 0.823216 H\n0.469862 0.469862 0.176783 H\n0.494630 0.727583 0.617808 H\n0.854998 0.854998 0.237397 N\n0.145002 0.145002 0.762602 N\n0.611868 0.611868 0.698743 N\n0.388132 0.388132 0.301256 N\n0.353100 0.353100 -0.008894 O\n0.104859 0.104859 0.139887 O\n0.895141 0.895141 0.860112 O\n0.036479 0.621346 0.611767 O\n0.378654 0.963521 0.388233 O\n0.963520 0.378654 0.388233 O\n0.621346 0.036480 0.611767 O\n0.646900 0.646900 0.008893 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mo",
"H",
"N",
"O"
],
"chemical_system": "H-Mo-N-O",
"density": 2.2258362919889723,
"density_atomic": 0.10257632544547943,
"volume": 292.4651460238295,
"volume_molar": 5.870887589164853,
"formula_full": "Mo2 H16 N4 O8",
"formula_reduced": "MoH8(NO2)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.7896057600000006,
"spacegroup": 12
},
{
"id": "jvasp-112076",
"created_at": "2022-09-04T14:38:43.757729Z",
"updated_at": "2022-09-04T14:38:43.757751Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.544526 -0.043054 -0.684890\n-1.669095 6.611836 -1.016979\n-0.122473 0.204683 8.622412\nSn H C O\n1 16 9 4\ndirect\n0.154599 0.358519 0.632703 Sn\n0.818172 0.748213 0.029185 H\n0.582789 0.689653 0.775402 H\n0.158887 0.984416 0.513957 H\n0.788166 0.025981 0.448680 H\n0.893342 0.969094 0.645792 H\n0.956276 0.907522 0.214557 H\n0.408633 0.733272 0.584496 H\n0.213291 0.744427 0.748821 H\n0.437576 0.774322 0.289195 H\n0.919756 0.632902 0.351656 H\n0.746175 0.438613 0.192372 H\n0.025335 0.236760 0.082148 H\n0.957936 0.049242 0.917301 H\n0.401218 0.930256 0.971922 H\n0.540888 0.086943 0.158184 H\n0.331174 0.600639 0.109496 H\n0.610121 -0.000890 0.061255 C\n0.840490 0.138545 0.988879 C\n0.696084 0.547569 0.281914 C\n0.528855 0.688292 0.200722 C\n0.720802 0.270292 0.878542 C\n0.527917 0.431460 0.391784 C\n0.367927 0.673179 0.692732 C\n0.973828 0.043304 0.550143 C\n0.745919 0.834760 0.125811 C\n0.674483 0.386207 0.517486 O\n0.917736 0.405489 0.833971 O\n0.435378 0.241589 0.832770 O\n0.238684 0.387794 0.366793 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.9672053396274778,
"density_atomic": 0.11579270043438053,
"volume": 259.0836891052639,
"volume_molar": 5.200794814706591,
"formula_full": "Sn1 H16 C9 O4",
"formula_reduced": "SnH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.51234319,
"spacegroup": 1
},
{
"id": "jvasp-23961",
"created_at": "2022-09-04T14:37:41.485986Z",
"updated_at": "2022-09-04T14:37:41.486008Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.945506 -5.101767 -0.000000\n2.945506 5.101767 0.000000\n0.000000 -0.000000 14.293744\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666668 0.333333 0.596035 Rb\n0.333333 0.666668 0.096036 Rb\n0.333333 0.666668 0.403964 Rb\n0.666668 0.333333 0.903964 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.346166 Mg\n0.333333 0.666668 0.653834 Mg\n0.666668 0.333333 0.153834 Mg\n0.333333 0.666668 0.846166 Mg\n0.166069 0.833932 0.579846 H\n0.833932 0.166069 0.420154 H\n0.166069 0.833932 0.920154 H\n0.667862 0.833932 0.920154 H\n0.833932 0.667862 0.420154 H\n0.667862 0.833932 0.579846 H\n0.166069 0.332139 0.920154 H\n0.833932 0.166069 0.079846 H\n0.477255 0.522746 0.750000 H\n0.332139 0.166069 0.079846 H\n0.477255 0.954511 0.750000 H\n0.954511 0.477255 0.250000 H\n0.522746 0.477255 0.250000 H\n0.332139 0.166069 0.420154 H\n0.045490 0.522746 0.750000 H\n0.522746 0.045490 0.250000 H\n0.833932 0.667862 0.079846 H\n0.166069 0.332139 0.579846 H\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.616013052296296,
"density_atomic": 0.06983364765881184,
"volume": 429.59233844652965,
"volume_molar": 8.623551771808538,
"formula_full": "Rb6 Mg6 H18",
"formula_reduced": "RbMgH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1897498099999997,
"spacegroup": 194
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"H",
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pt",
"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 3.1506182023333333,
"spacegroup": 14
},
{
"id": "jvasp-30620",
"created_at": "2022-09-04T14:37:12.836353Z",
"updated_at": "2022-09-04T14:37:12.836371Z",
"structure_string": "Ti6 Al2 Se4 Cl2 O16\n1.0\n7.424875 -1.428940 1.067948\n-1.057401 8.851253 -1.355083\n1.797720 -1.809409 8.012803\nTi Al Se Cl O\n6 2 4 2 16\ndirect\n0.479822 0.795995 0.974381 Ti\n0.529026 0.040913 0.506734 Ti\n0.902140 0.996532 0.103462 Ti\n0.709794 0.167856 0.910200 Ti\n0.108075 0.856492 0.317633 Ti\n0.138366 0.174283 0.611052 Ti\n0.298805 0.170313 0.185268 Al\n0.694980 0.855283 0.580159 Al\n0.252948 0.574050 0.390046 Se\n0.907753 0.459221 0.471613 Se\n0.816701 0.586999 0.330939 Se\n0.107918 0.660133 0.793487 Se\n0.413297 0.311076 0.718749 Cl\n0.635658 0.647241 0.021678 Cl\n0.198144 0.251639 0.426453 O\n0.720248 0.098994 0.322488 O\n0.569068 0.748705 0.740196 O\n0.613063 0.059992 0.715718 O\n0.282265 0.999989 0.485379 O\n0.057215 0.847026 0.849862 O\n0.111909 0.154620 0.098292 O\n0.950982 0.875572 0.209573 O\n0.944249 0.962034 0.548437 O\n0.550835 0.831840 0.445637 O\n0.331769 0.966733 0.148404 O\n0.957779 0.273536 0.813903 O\n0.219384 0.672738 0.946967 O\n0.530240 0.273721 0.087260 O\n0.720507 0.995091 0.976052 O\n0.247075 0.691375 0.269980 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ti",
"Al",
"Se",
"Cl",
"O"
],
"chemical_system": "Al-Cl-O-Se-Ti",
"density": 3.3699532292431305,
"density_atomic": 0.06187916121201236,
"volume": 484.81588005391734,
"volume_molar": 9.732098241226556,
"formula_full": "Ti6 Al2 Se4 Cl2 O16",
"formula_reduced": "Ti3AlSe2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.771255773388889,
"spacegroup": 1
},
{
"id": "jvasp-21115",
"created_at": "2022-09-04T14:37:30.730656Z",
"updated_at": "2022-09-04T14:37:30.730686Z",
"structure_string": "Ba6 Nd2 Ru4 O18\n1.0\n2.991074 -5.180691 0.000000\n2.991074 5.180691 0.000000\n0.000000 0.000000 14.813440\nBa Nd Ru O\n6 2 4 18\ndirect\n0.333332 0.666666 0.398456 Ba\n0.000000 0.000000 0.750000 Ba\n0.666666 0.333332 0.601544 Ba\n0.666666 0.333332 0.898456 Ba\n0.333332 0.666666 0.101544 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333332 0.666666 0.833300 Ru\n0.666666 0.333332 0.333300 Ru\n0.666666 0.333332 0.166700 Ru\n0.333332 0.666666 0.666700 Ru\n0.017191 0.508595 0.750000 O\n0.982808 0.491404 0.250000 O\n0.508595 0.017191 0.250000 O\n0.491404 0.508594 0.750000 O\n0.178848 0.821151 0.592731 O\n0.821150 0.642302 0.092731 O\n0.357697 0.178848 0.092731 O\n0.642302 0.821150 0.592731 O\n0.642302 0.821150 0.907269 O\n0.821151 0.178848 0.407269 O\n0.821150 0.642302 0.407269 O\n0.821151 0.178848 0.092731 O\n0.357697 0.178848 0.407269 O\n0.491404 0.982808 0.750000 O\n0.178848 0.821151 0.907269 O\n0.178848 0.357697 0.907269 O\n0.178848 0.357697 0.592731 O\n0.508594 0.491404 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ru",
"O"
],
"chemical_system": "Ba-Nd-O-Ru",
"density": 6.527652214682643,
"density_atomic": 0.06534622274372621,
"volume": 459.09310041765576,
"volume_molar": 9.215744242199793,
"formula_full": "Ba6 Nd2 Ru4 O18",
"formula_reduced": "Ba3NdRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.455844794,
"spacegroup": 194
},
{
"id": "jvasp-59311",
"created_at": "2022-09-04T14:38:03.089708Z",
"updated_at": "2022-09-04T14:38:03.089722Z",
"structure_string": "Ba6 Ti6 O18\n1.0\n2.883550 -4.994454 0.000000\n2.883550 4.994454 -0.000000\n-0.000000 -0.000000 14.053758\nBa Ti O\n6 6 18\ndirect\n0.666667 0.333333 0.596632 Ba\n0.333333 0.666667 0.096632 Ba\n0.333333 0.666667 0.403368 Ba\n0.666667 0.333333 0.903368 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.153762 Ti\n0.333333 0.666667 0.846238 Ti\n0.666667 0.333333 0.346238 Ti\n0.333333 0.666667 0.653763 Ti\n0.834717 0.165283 0.419444 O\n0.482710 0.517290 0.750000 O\n0.517290 0.482710 0.250000 O\n0.965419 0.482710 0.250000 O\n0.482710 0.965419 0.750000 O\n0.165283 0.330566 0.919444 O\n0.330566 0.165283 0.419444 O\n0.165283 0.834717 0.919444 O\n0.165283 0.834717 0.580556 O\n0.834718 0.669434 0.080556 O\n0.330566 0.165283 0.080556 O\n0.834718 0.669434 0.419444 O\n0.834717 0.165283 0.080556 O\n0.034581 0.517290 0.750000 O\n0.165283 0.330566 0.580556 O\n0.669434 0.834718 0.580556 O\n0.669434 0.834718 0.919444 O\n0.517290 0.034581 0.250000 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.739530883429733,
"density_atomic": 0.07411110424861053,
"volume": 404.7976386826331,
"volume_molar": 8.125827864874791,
"formula_full": "Ba6 Ti6 O18",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.634128960666667,
"spacegroup": 194
},
{
"id": "jvasp-29941",
"created_at": "2022-09-04T14:38:15.670180Z",
"updated_at": "2022-09-04T14:38:15.670200Z",
"structure_string": "Cu6 Bi2 Se4 I2 O16\n1.0\n6.446871 -0.000000 0.000000\n0.000000 7.334498 0.000000\n0.000000 0.000000 9.820771\nCu Bi Se I O\n6 2 4 2 16\ndirect\n0.250000 0.794665 0.250000 Cu\n0.750000 0.205335 0.750000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.250000 0.250571 0.250000 Bi\n0.750000 0.749429 0.750000 Bi\n0.250000 0.607112 0.943504 Se\n0.750000 0.392889 0.056496 Se\n0.750000 0.392889 0.443504 Se\n0.250000 0.607112 0.556495 Se\n0.250000 0.168002 0.750000 I\n0.750000 0.831998 0.250000 I\n0.539665 0.247272 0.415599 O\n0.250000 0.992258 0.113727 O\n0.960335 0.247272 0.084401 O\n0.750000 0.007743 0.613727 O\n0.750000 0.411898 0.617668 O\n0.460335 0.752728 0.584401 O\n0.250000 0.588103 0.382332 O\n0.039665 0.752728 0.915599 O\n0.539665 0.247272 0.084401 O\n0.750000 0.411898 0.882332 O\n0.750000 0.007743 0.886273 O\n0.250000 0.992258 0.386273 O\n0.960335 0.247272 0.415599 O\n0.039665 0.752728 0.584401 O\n0.460335 0.752728 0.915599 O\n0.250000 0.588103 0.117668 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Cu",
"Bi",
"Se",
"I",
"O"
],
"chemical_system": "Bi-Cu-I-O-Se",
"density": 5.810378176017859,
"density_atomic": 0.06460353696295347,
"volume": 464.370859713197,
"volume_molar": 9.321688940116951,
"formula_full": "Cu6 Bi2 Se4 I2 O16",
"formula_reduced": "Cu3BiSe2IO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.7142671105555556,
"spacegroup": 59
},
{
"id": "jvasp-26039",
"created_at": "2022-09-04T14:38:03.369496Z",
"updated_at": "2022-09-04T14:38:03.369530Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n2.932087 -5.078524 0.000000\n2.932087 5.078524 0.000000\n-0.000000 0.000000 14.293707\nRb Mg F\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333334 0.666667 0.098103 Rb\n0.666667 0.333334 0.598103 Rb\n0.666667 0.333334 0.901898 Rb\n0.333334 0.666667 0.401897 Rb\n0.333334 0.666667 0.652568 Mg\n0.666667 0.333334 0.152568 Mg\n0.666667 0.333334 0.347432 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.847432 Mg\n0.331841 0.165921 0.079702 F\n0.331841 0.165921 0.420298 F\n0.668160 0.834081 0.920299 F\n0.165921 0.331841 0.579702 F\n0.165921 0.834080 0.920299 F\n0.165921 0.331841 0.920299 F\n0.834080 0.165921 0.079702 F\n0.668160 0.834081 0.579702 F\n0.039301 0.519650 0.750000 F\n0.834081 0.668160 0.079702 F\n0.480351 0.960701 0.750000 F\n0.519650 0.480351 0.250000 F\n0.960701 0.480351 0.250000 F\n0.834081 0.668160 0.420298 F\n0.480351 0.519650 0.750000 F\n0.519650 0.039301 0.250000 F\n0.165921 0.834080 0.579702 F\n0.834080 0.165921 0.420298 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 3.90322746085756,
"density_atomic": 0.07047450302994057,
"volume": 425.6858680827408,
"volume_molar": 8.545134057123521,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0014400000000001,
"spacegroup": 194
},
{
"id": "jvasp-23297",
"created_at": "2022-09-04T14:37:52.381948Z",
"updated_at": "2022-09-04T14:37:52.381961Z",
"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se-Sr",
"density": 4.602328153118789,
"density_atomic": 0.06759442484799946,
"volume": 443.82358556140423,
"volume_molar": 8.909227016195599,
"formula_full": "Sr4 Co2 Se6 O18",
"formula_reduced": "Sr2Co(SeO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.213942341333333,
"spacegroup": 2
},
{
"id": "jvasp-21545",
"created_at": "2022-09-04T14:38:10.726297Z",
"updated_at": "2022-09-04T14:38:10.726329Z",
"structure_string": "K12 Ge4 O14\n1.0\n0.000000 6.547650 -0.013762\n9.141026 0.000000 0.000000\n0.000000 -6.256322 -9.220140\nK Ge O\n12 4 14\ndirect\n0.407124 0.540371 0.785094 K\n0.596888 0.040282 0.722428 K\n0.954630 0.899585 0.077824 K\n0.954630 0.100415 0.577824 K\n0.797059 0.725115 0.551676 K\n0.797059 0.274886 0.051676 K\n0.206712 0.774804 0.455805 K\n0.206713 0.225196 0.955805 K\n0.049309 0.600387 0.929758 K\n0.049309 0.399614 0.429758 K\n0.596888 0.959719 0.222428 K\n0.407124 0.459629 0.285094 K\n0.689732 0.606921 0.137908 Ge\n0.314261 0.106942 0.369604 Ge\n0.689732 0.393079 0.637908 Ge\n0.314261 0.893058 0.869604 Ge\n0.751612 0.337727 0.807434 O\n0.751612 0.662273 0.307434 O\n0.492583 0.547757 0.569042 O\n0.502646 0.750092 0.003714 O\n0.502647 0.249909 0.503714 O\n0.510984 0.047929 0.938303 O\n0.510984 0.952071 0.438303 O\n0.042912 0.910929 0.868741 O\n0.042912 0.089072 0.368741 O\n0.252011 0.837849 0.699959 O\n0.252011 0.162151 0.199959 O\n0.492583 0.452243 0.069042 O\n0.961337 0.411381 0.639110 O\n0.961336 0.588620 0.139110 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"K",
"Ge",
"O"
],
"chemical_system": "Ge-K-O",
"density": 2.9558928117960077,
"density_atomic": 0.05428556883300841,
"volume": 552.63305966794,
"volume_molar": 11.093446913166046,
"formula_full": "K12 Ge4 O14",
"formula_reduced": "K6Ge2O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 0.9443116266666663,
"spacegroup": 14
},
{
"id": "jvasp-32393",
"created_at": "2022-09-04T14:37:53.093506Z",
"updated_at": "2022-09-04T14:37:53.093516Z",
"structure_string": "Ru2 C8 O8 F12\n1.0\n5.221149 0.032605 0.675638\n0.479267 8.743712 0.750646\n0.408832 -0.374453 8.245902\nRu C O F\n2 8 8 12\ndirect\n0.322336 0.536095 0.440133 Ru\n0.677664 0.463905 0.559868 Ru\n0.978068 0.702620 0.098762 C\n0.021932 0.297380 0.901238 C\n0.799906 0.624392 0.241867 C\n0.200095 0.375608 0.758134 C\n0.537419 0.233415 0.361101 C\n0.462582 0.766585 0.638899 C\n0.458514 0.923994 0.715854 C\n0.541487 0.076005 0.284147 C\n0.561031 0.629280 0.241128 O\n0.291021 0.743971 0.554382 O\n0.708979 0.256028 0.445619 O\n0.088760 0.437133 0.643287 O\n0.357141 0.328232 0.331054 O\n0.911240 0.562867 0.356713 O\n0.438970 0.370719 0.758872 O\n0.642859 0.671767 0.668946 O\n0.846917 0.760627 -0.017502 F\n0.153084 0.239372 0.017503 F\n0.645617 0.084114 0.121966 F\n0.314372 0.031720 0.642918 F\n0.170702 0.602061 0.027142 F\n0.829298 0.397939 0.972858 F\n0.090485 0.815625 0.159808 F\n0.299658 0.029989 0.298732 F\n0.700343 0.970011 0.701269 F\n0.685628 0.968279 0.357083 F\n0.354383 0.915886 0.878035 F\n0.909515 0.184375 0.840193 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ru",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Ru",
"density": 2.894896623182805,
"density_atomic": 0.07994542018780812,
"volume": 375.256017537013,
"volume_molar": 7.532815195483069,
"formula_full": "Ru2 C8 O8 F12",
"formula_reduced": "RuC4(O2F3)2",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 3.009001079666666,
"spacegroup": 2
}
]
}