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=2",
"previous": null,
"results": [
{
"id": "jvasp-97912",
"created_at": "2022-09-04T14:36:07.963829Z",
"updated_at": "2022-09-04T14:36:07.963844Z",
"structure_string": "Ba4 H8 C4 S4 N4 Cl4 O4\n1.0\n5.887180 0.000000 0.000000\n0.000000 4.757449 0.000000\n0.000000 0.000000 19.991832\nBa H C S N Cl O\n4 8 4 4 4 4 4\ndirect\n0.762050 0.250000 0.083437 Ba\n0.262050 0.250000 0.416563 Ba\n0.237950 0.750000 0.916563 Ba\n0.737950 0.750000 0.583437 Ba\n0.890515 0.086689 0.244083 H\n0.390515 0.413311 0.255917 H\n0.109485 0.586689 0.755917 H\n0.609485 0.913311 0.744083 H\n0.109485 0.913311 0.755917 H\n0.609485 0.586689 0.744083 H\n0.890515 0.413311 0.244083 H\n0.390515 0.086689 0.255917 H\n0.811566 0.250000 0.853142 C\n0.311566 0.250000 0.646857 C\n0.188434 0.750000 0.146857 C\n0.688434 0.750000 0.353142 C\n0.454519 0.750000 0.170948 S\n0.954519 0.750000 0.329052 S\n0.545481 0.250000 0.829052 S\n0.045481 0.250000 0.670948 S\n0.503820 0.250000 0.629897 N\n0.003820 0.250000 0.870103 N\n-0.003820 0.750000 0.129897 N\n0.496180 0.750000 0.370103 N\n0.262430 0.250000 0.022795 Cl\n0.762430 0.250000 0.477205 Cl\n0.737570 0.750000 0.977204 Cl\n0.237570 0.750000 0.522795 Cl\n0.157853 0.750000 0.782510 O\n0.842147 0.250000 0.217490 O\n0.342147 0.250000 0.282510 O\n0.657853 0.750000 0.717490 O\n",
"nsites": 32,
"nelements": 7,
"elements": [
"Ba",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Ba-C-Cl-H-N-O-S",
"density": 2.9523034161281037,
"density_atomic": 0.05714995975306873,
"volume": 559.930403070524,
"volume_molar": 10.537436572169474,
"formula_full": "Ba4 H8 C4 S4 N4 Cl4 O4",
"formula_reduced": "BaH2CSNClO",
"formula_anonymous": "ABCDEFG2",
"energy_above_hull": 2.8401045984375,
"spacegroup": 62
},
{
"id": "jvasp-48326",
"created_at": "2022-09-04T14:36:05.985542Z",
"updated_at": "2022-09-04T14:36:05.985556Z",
"structure_string": "Na2 Li2 Mn2 P2 C2 O14\n1.0\n0.000000 5.233555 -0.113416\n6.281826 0.000000 0.000000\n0.000000 -0.186901 -8.770643\nNa Li Mn P C O\n2 2 2 2 2 14\ndirect\n0.787718 0.529261 0.236142 Na\n0.212283 0.029260 0.763858 Na\n0.768496 0.066821 0.187565 Li\n0.231505 0.566821 0.812435 Li\n0.227160 0.226494 0.353746 Mn\n0.772841 0.726494 0.646254 Mn\n0.304012 0.728472 0.436207 P\n0.695989 0.228471 0.563793 P\n0.289401 0.270700 0.062819 C\n0.710601 0.770700 0.937181 C\n0.500408 0.764574 0.860998 O\n0.775265 0.423795 0.659822 O\n0.782550 0.034132 0.658882 O\n0.184198 0.727275 0.595997 O\n0.396814 0.223696 0.547669 O\n0.603187 0.723697 0.452331 O\n0.080547 0.236981 0.146584 O\n0.217451 0.534132 0.341118 O\n0.224736 0.923795 0.340178 O\n0.499593 0.264574 0.139002 O\n0.919454 0.736982 0.853417 O\n0.730048 0.807791 0.077911 O\n0.815803 0.227275 0.404003 O\n0.269954 0.307791 0.922089 O\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.761229480638506,
"density_atomic": 0.08319488004732326,
"volume": 288.4792908692004,
"volume_molar": 7.238595399830449,
"formula_full": "Na2 Li2 Mn2 P2 C2 O14",
"formula_reduced": "NaLiMnPCO7",
"formula_anonymous": "ABCDEF7",
"energy_above_hull": 2.892166353448276,
"spacegroup": 4
},
{
"id": "jvasp-113071",
"created_at": "2022-09-04T14:38:43.830029Z",
"updated_at": "2022-09-04T14:38:43.830059Z",
"structure_string": "Na2 Pr2 Ti2 Nb2 O12 F2\n1.0\n6.494643 -0.006421 -3.440972\n-2.139479 5.920342 -3.793797\n-0.001198 0.006421 7.349876\nNa Pr Ti Nb O F\n2 2 2 2 12 2\ndirect\n-0.000000 -0.000000 0.500000 Na\n-0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.499999 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.183601 0.418435 0.355523 O\n0.562911 0.828076 0.144476 O\n0.183600 0.828076 0.765165 O\n0.562911 0.418435 0.734834 O\n0.181819 0.431819 0.750000 O\n0.577573 0.827573 0.750000 O\n0.437088 0.581565 0.265166 O\n0.437087 0.171923 0.855523 O\n0.816399 0.171923 0.234834 O\n0.818180 0.568180 0.250000 O\n0.422426 0.172426 0.250000 O\n0.816398 0.581565 0.644477 O\n0.118533 0.868533 0.249999 F\n0.881466 0.131467 0.750000 F\n",
"nsites": 22,
"nelements": 6,
"elements": [
"Na",
"Pr",
"Ti",
"Nb",
"O",
"F"
],
"chemical_system": "F-Na-Nb-O-Pr-Ti",
"density": 4.930345309934266,
"density_atomic": 0.07782471714454176,
"volume": 282.68653979352075,
"volume_molar": 7.738082425426924,
"formula_full": "Na2 Pr2 Ti2 Nb2 O12 F2",
"formula_reduced": "NaPrTiNbO6F",
"formula_anonymous": "ABCDEF6",
"energy_above_hull": 2.419955260530303,
"spacegroup": 74
},
{
"id": "jvasp-98257",
"created_at": "2022-09-04T14:35:46.138928Z",
"updated_at": "2022-09-04T14:35:46.138960Z",
"structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.745512 0.000000 0.000000\n0.000000 9.819957 -1.644965\n0.000000 0.181006 12.227003\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.674482 0.149699 0.494784 Li\n0.325517 0.850302 0.505217 Li\n0.174482 0.350302 0.505216 Li\n0.825517 0.649699 0.494784 Li\n0.826527 0.883394 0.369367 Be\n0.326527 0.616607 0.630633 Be\n0.173473 0.116607 0.630633 Be\n0.673472 0.383394 0.369367 Be\n0.916445 0.329392 0.731460 H\n0.413355 0.259391 0.988021 H\n0.242856 0.573498 0.085649 H\n0.535407 0.539397 0.852218 H\n0.762549 0.748084 0.123182 H\n0.938992 0.824171 0.731625 H\n0.237450 0.251917 0.876818 H\n0.964592 0.039397 0.852218 H\n0.586645 0.740610 0.011979 H\n0.088797 0.446203 0.155802 H\n0.913355 0.240610 0.011979 H\n0.416446 0.170608 0.268540 H\n0.911203 0.553797 0.844199 H\n0.767086 0.943863 0.673748 H\n0.737450 0.248083 0.123182 H\n0.267086 0.556137 0.326253 H\n0.438992 0.675830 0.268375 H\n0.257143 0.073497 0.085649 H\n0.035407 0.960604 0.147782 H\n0.742856 0.926503 0.914351 H\n0.583554 0.829392 0.731460 H\n0.411203 0.946204 0.155802 H\n0.232914 0.056137 0.326253 H\n0.061008 0.175830 0.268375 H\n0.588797 0.053797 0.844198 H\n0.083554 0.670608 0.268540 H\n0.561008 0.324171 0.731625 H\n0.732914 0.443863 0.673747 H\n0.262550 0.751917 0.876818 H\n0.757143 0.426503 0.914351 H\n0.086645 0.759391 0.988021 H\n0.464593 0.460603 0.147782 H\n0.234544 0.016350 0.154687 C\n0.765455 0.983650 0.845314 C\n0.265456 0.516351 0.154687 C\n0.734544 0.483650 0.845314 C\n0.764364 0.887900 0.738589 N\n0.235636 0.112101 0.261411 N\n0.735635 0.387899 0.738589 N\n0.264364 0.612101 0.261411 N\n0.274228 0.780250 0.957422 O\n0.725771 0.219750 0.042578 O\n0.225771 0.280250 0.957422 O\n0.774228 0.719751 0.042578 O\n0.208385 0.675724 0.526647 F\n0.214213 0.472019 0.632977 F\n0.708385 0.824276 0.473354 F\n0.751530 0.280297 0.262957 F\n0.844616 0.111862 0.621616 F\n0.655383 0.611862 0.621617 F\n0.714213 0.027982 0.367023 F\n0.344617 0.388139 0.378384 F\n0.791614 0.324276 0.473354 F\n0.248470 0.719704 0.737043 F\n0.291615 0.175724 0.526646 F\n0.748470 0.780297 0.262957 F\n0.251530 0.219703 0.737043 F\n0.285787 0.972019 0.632977 F\n0.155383 0.888139 0.378384 F\n0.785786 0.527982 0.367024 F\n",
"nsites": 68,
"nelements": 7,
"elements": [
"Li",
"Be",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "Be-C-F-H-Li-N-O",
"density": 1.651551170164124,
"density_atomic": 0.11904758596323928,
"volume": 571.200158741545,
"volume_molar": 5.058599644229307,
"formula_full": "Li4 Be4 H32 C4 N4 O4 F16",
"formula_reduced": "LiBeH8CNOF4",
"formula_anonymous": "ABCDEF4G8",
"energy_above_hull": 2.573200234117647,
"spacegroup": 14
},
{
"id": "jvasp-43394",
"created_at": "2022-09-04T14:38:28.603858Z",
"updated_at": "2022-09-04T14:38:28.603872Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n0.000000 5.002027 0.043131\n6.497842 0.000000 0.000000\n0.000000 -0.771247 -8.616011\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.843434 0.250000 0.896406 Li\n0.156566 0.750000 0.103594 Li\n0.783095 0.750000 0.677963 Sn\n0.216905 0.250000 0.322037 Sn\n0.742513 0.250000 0.584816 P\n0.257487 0.750000 0.415184 P\n0.618689 0.750000 0.949538 C\n0.381311 0.250000 0.050462 C\n0.536740 0.250000 0.182917 O\n0.179962 0.933752 0.305027 O\n0.179962 0.566248 0.305027 O\n0.886283 0.250000 0.437700 O\n0.562510 0.750000 0.465476 O\n0.437490 0.250000 0.534524 O\n0.463260 0.750000 0.817083 O\n0.820038 0.433752 0.694973 O\n0.820038 0.066248 0.694973 O\n0.534153 0.750000 0.079416 O\n0.465847 0.250000 0.920584 O\n0.882471 0.750000 0.927222 O\n0.113717 0.750000 0.562300 O\n0.117529 0.250000 0.072778 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Sn",
"density": 3.3306504572187094,
"density_atomic": 0.07862064373614588,
"volume": 279.82472483732016,
"volume_molar": 7.659744914084591,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.796736518181818,
"spacegroup": 11
},
{
"id": "jvasp-44576",
"created_at": "2022-09-04T14:38:13.287403Z",
"updated_at": "2022-09-04T14:38:13.287434Z",
"structure_string": "Na2 Cr2 As2 C2 O14\n1.0\n0.000000 5.286901 -0.240196\n6.404150 0.000000 0.000000\n0.000000 -0.011710 -8.766140\nNa Cr As C O\n2 2 2 2 14\ndirect\n0.840932 0.525623 0.176037 Na\n0.159067 0.025623 0.823964 Na\n0.231978 0.238258 0.328207 Cr\n0.768021 0.738258 0.671794 Cr\n0.294134 0.744296 0.433239 As\n0.705866 0.244296 0.566762 As\n0.372276 0.253605 0.065098 C\n0.627724 0.753605 0.934903 C\n0.482040 0.764710 0.814209 O\n0.774869 0.452659 0.683181 O\n0.787243 0.040266 0.679772 O\n0.112591 0.755367 0.599606 O\n0.390314 0.236160 0.525579 O\n0.609686 0.736160 0.474421 O\n0.517960 0.264710 0.185791 O\n0.212757 0.540266 0.320229 O\n0.225130 0.952659 0.316820 O\n0.869320 0.744911 0.887284 O\n0.130680 0.244911 0.112717 O\n0.548803 0.746293 0.069035 O\n0.887409 0.255367 0.400394 O\n0.451197 0.246293 0.930966 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Cr",
"As",
"C",
"O"
],
"chemical_system": "As-C-Cr-Na-O",
"density": 3.064755564393397,
"density_atomic": 0.07411826568950977,
"volume": 296.8229193618833,
"volume_molar": 8.125042732688138,
"formula_full": "Na2 Cr2 As2 C2 O14",
"formula_reduced": "NaCrAsCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.082259331818181,
"spacegroup": 4
},
{
"id": "jvasp-44434",
"created_at": "2022-09-04T14:38:05.645123Z",
"updated_at": "2022-09-04T14:38:05.645145Z",
"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n0.000000 5.385802 -0.202287\n6.401461 0.000000 0.000000\n0.000000 -0.174690 -8.485385\nNa V Si C O\n2 2 2 2 14\ndirect\n0.851357 0.518100 0.164283 Na\n0.148642 0.018100 0.835718 Na\n0.228023 0.234099 0.337711 V\n0.771976 0.734099 0.662289 V\n0.276453 0.738682 0.433795 Si\n0.723547 0.238682 0.566206 Si\n0.380975 0.258216 0.063095 C\n0.619024 0.758216 0.936906 C\n0.475651 0.769874 0.813742 O\n0.768518 0.454548 0.666737 O\n0.786409 0.038039 0.672142 O\n0.086450 0.749323 0.588179 O\n0.435662 0.244302 0.501805 O\n0.564338 0.744302 0.498196 O\n0.524348 0.269874 0.186259 O\n0.213590 0.538039 0.327859 O\n0.231482 0.954548 0.333264 O\n0.857366 0.739076 0.888298 O\n0.142634 0.239076 0.111703 O\n0.554117 0.757889 0.076907 O\n0.913550 0.249323 0.411822 O\n0.445882 0.257889 0.923094 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"V",
"Si",
"C",
"O"
],
"chemical_system": "C-Na-O-Si-V",
"density": 2.563867176734446,
"density_atomic": 0.07514255497247885,
"volume": 292.77684273654995,
"volume_molar": 8.014287991944943,
"formula_full": "Na2 V2 Si2 C2 O14",
"formula_reduced": "NaVSiCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.069495118181817,
"spacegroup": 4
},
{
"id": "jvasp-119385",
"created_at": "2022-09-04T14:38:32.091648Z",
"updated_at": "2022-09-04T14:38:32.091684Z",
"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.279620 -0.000000 0.000000\n0.000000 4.803628 -0.058555\n-0.000000 -0.455336 9.038945\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.608119 0.973030 0.888606 Na\n0.108119 0.026969 0.111394 Na\n0.242195 0.259909 0.664656 Cr\n0.742195 0.740090 0.335344 Cr\n0.234763 0.443043 0.917469 C\n0.734763 0.556956 0.082531 C\n0.743777 0.292797 0.578649 S\n0.243777 0.707203 0.421351 S\n0.748077 0.408386 0.199633 O\n0.427856 0.762872 0.325130 O\n0.056652 0.772037 0.328314 O\n0.745716 0.121213 0.438936 O\n0.238597 0.408291 0.458180 O\n0.738597 0.591709 0.541820 O\n0.248077 0.591614 0.800367 O\n0.556652 0.227962 0.671686 O\n0.927856 0.237128 0.674870 O\n0.745299 0.830508 0.122771 O\n0.245299 0.169492 0.877229 O\n0.711099 0.464635 0.952088 O\n0.245716 0.878787 0.561064 O\n0.211099 0.535364 0.047912 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Cr",
"C",
"S",
"O"
],
"chemical_system": "C-Cr-Na-O-S",
"density": 2.816081409882046,
"density_atomic": 0.08073632349705469,
"volume": 272.49197197841903,
"volume_molar": 7.4590227782909775,
"formula_full": "Na2 Cr2 C2 S2 O14",
"formula_reduced": "NaCrCSO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.0269537181818174,
"spacegroup": 4
},
{
"id": "jvasp-111931",
"created_at": "2022-09-04T14:38:52.464187Z",
"updated_at": "2022-09-04T14:38:52.464214Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.748492 0.000000 0.000000\n0.000000 4.968647 0.371817\n0.000000 -0.048168 8.305137\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477584 0.798132 0.810994 Li\n0.977584 0.201868 0.189006 Li\n0.250904 0.229997 0.659383 Mn\n0.750904 0.770003 0.340617 Mn\n0.249906 0.299867 0.939010 C\n0.749906 0.700133 0.060990 C\n0.756664 0.253775 0.589555 S\n0.256664 0.746225 0.410445 S\n0.777144 0.508719 0.179331 O\n0.435128 0.794203 0.314593 O\n0.081107 0.841337 0.319937 O\n0.770142 0.122094 0.433124 O\n0.233861 0.449251 0.456457 O\n0.733861 0.550749 0.543544 O\n0.277144 0.491281 0.820669 O\n0.581107 0.158663 0.680063 O\n0.935128 0.205797 0.685408 O\n0.760736 0.939392 0.122523 O\n0.260736 0.060608 0.877478 O\n0.708976 0.660924 0.920386 O\n0.270142 0.877906 0.566877 O\n0.208976 0.339076 0.079615 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.5981063381516227,
"density_atomic": 0.07896643842539888,
"volume": 278.59937004483015,
"volume_molar": 7.626202827533158,
"formula_full": "Li2 Mn2 C2 S2 O14",
"formula_reduced": "LiMnCSO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.127061067398119,
"spacegroup": 4
},
{
"id": "jvasp-45963",
"created_at": "2022-09-04T14:38:04.932949Z",
"updated_at": "2022-09-04T14:38:04.932972Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n0.000000 5.030571 -0.055922\n6.214715 0.000000 0.000000\n0.000000 -0.583514 -8.499137\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.776090 0.466363 0.179960 Li\n0.223911 0.966363 0.820040 Li\n0.213885 0.252500 0.337633 Ge\n0.786116 0.752500 0.662367 Ge\n0.271439 0.757555 0.428555 P\n0.728562 0.257555 0.571445 P\n0.286101 0.249928 0.062911 C\n0.713900 0.749927 0.937089 C\n0.524024 0.767223 0.819815 O\n0.796710 0.452496 0.675538 O\n0.811544 0.061120 0.671620 O\n0.127776 0.764766 0.584451 O\n0.423367 0.250687 0.525788 O\n0.576633 0.750686 0.474213 O\n0.475976 0.267223 0.180185 O\n0.188456 0.561120 0.328381 O\n0.203290 0.952496 0.324462 O\n0.952014 0.757770 0.876111 O\n0.047987 0.257770 0.123889 O\n0.670925 0.721739 0.076154 O\n0.872224 0.264766 0.415550 O\n0.329076 0.221740 0.923847 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Ge",
"P",
"C",
"O"
],
"chemical_system": "C-Ge-Li-O-P",
"density": 2.9294812525422396,
"density_atomic": 0.08273285683872127,
"volume": 265.9161165301787,
"volume_molar": 7.279019473169541,
"formula_full": "Li2 Ge2 P2 C2 O14",
"formula_reduced": "LiGePCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.841468722727272,
"spacegroup": 4
},
{
"id": "jvasp-45961",
"created_at": "2022-09-04T14:38:01.169381Z",
"updated_at": "2022-09-04T14:38:01.169399Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n0.000000 4.949509 -0.048855\n6.007036 0.000000 0.000000\n0.000000 -0.609168 -8.426658\nLi Si P C O\n2 2 2 2 14\ndirect\n0.777067 0.469727 0.181778 Li\n0.222933 0.969727 0.818222 Li\n0.215204 0.252823 0.336607 Si\n0.784795 0.752823 0.663393 Si\n0.267912 0.757555 0.432121 P\n0.732088 0.257555 0.567878 P\n0.290241 0.248624 0.071358 C\n0.709759 0.748624 0.928642 C\n0.523558 0.764293 0.806866 O\n0.790662 0.460664 0.672182 O\n0.801334 0.053865 0.671587 O\n0.099481 0.761600 0.579594 O\n0.428062 0.253850 0.509498 O\n0.571938 0.753850 0.490502 O\n0.476442 0.264292 0.193133 O\n0.198666 0.553865 0.328413 O\n0.209338 0.960664 0.327818 O\n0.949977 0.754707 0.865638 O\n0.050023 0.254707 0.134361 O\n0.664981 0.724445 0.068852 O\n0.900519 0.261600 0.420406 O\n0.335019 0.224445 0.931147 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Si",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Si",
"density": 2.516869196930665,
"density_atomic": 0.08774758575186285,
"volume": 250.71914869786542,
"volume_molar": 6.863027294026893,
"formula_full": "Li2 Si2 P2 C2 O14",
"formula_reduced": "LiSiPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.072069872727272,
"spacegroup": 4
},
{
"id": "jvasp-44547",
"created_at": "2022-09-04T14:38:31.643123Z",
"updated_at": "2022-09-04T14:38:31.643149Z",
"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n0.000000 5.031248 -0.450114\n6.529754 0.000000 0.000000\n0.000000 0.576698 -9.586142\nK Sn P C O\n2 2 2 2 14\ndirect\n0.914792 0.649640 0.147400 K\n0.085209 0.149641 0.852600 K\n0.268707 0.229500 0.342992 Sn\n0.731294 0.729500 0.657007 Sn\n0.306238 0.732123 0.431608 P\n0.693763 0.232123 0.568392 P\n0.464857 0.241024 0.083212 C\n0.535143 0.741023 0.916788 C\n0.389737 0.743136 0.811071 O\n0.744700 0.416320 0.660524 O\n0.746832 0.045446 0.657721 O\n0.127363 0.734646 0.576174 O\n0.398664 0.230228 0.538270 O\n0.601336 0.730228 0.461729 O\n0.610263 0.243137 0.188928 O\n0.253169 0.545445 0.342278 O\n0.255301 0.916319 0.339476 O\n0.798976 0.739424 0.870105 O\n0.201025 0.239424 0.129894 O\n0.438114 0.740660 0.043087 O\n0.872638 0.234647 0.423825 O\n0.561886 0.240660 -0.043088 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Sn",
"density": 3.3163264943441657,
"density_atomic": 0.07023442071438518,
"volume": 313.23672604156656,
"volume_molar": 8.574343888290326,
"formula_full": "K2 Sn2 P2 C2 O14",
"formula_reduced": "KSnPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.61550179090909,
"spacegroup": 4
}
]
}