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=-spacegroup&page=4078",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4076",
"results": [
{
"id": "jvasp-86165",
"created_at": "2022-09-04T14:35:52.567361Z",
"updated_at": "2022-09-04T14:35:52.567377Z",
"structure_string": "Os4 N8\n1.0\n4.934389 0.000000 0.000000\n0.000000 4.570926 -1.898545\n0.000000 0.037094 4.985573\nOs N\n4 8\ndirect\n0.497246 0.231632 0.720468 Os\n0.502755 0.768368 0.279530 Os\n0.997246 0.768367 0.779530 Os\n0.002754 0.231633 0.220469 Os\n0.401605 0.806329 0.694100 N\n0.098395 0.806329 0.194101 N\n0.089933 0.323335 0.673075 N\n0.410067 0.323336 0.173076 N\n0.910067 0.676665 0.326923 N\n0.589933 0.676664 0.826923 N\n0.901605 0.193671 0.805897 N\n0.598395 0.193671 0.305898 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Os",
"N"
],
"chemical_system": "N-Os",
"density": 12.851609135184008,
"density_atomic": 0.10638699621339168,
"volume": 112.79574033588023,
"volume_molar": 5.660598545259003,
"formula_full": "Os4 N8",
"formula_reduced": "OsN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.946513833333333,
"spacegroup": 14
},
{
"id": "jvasp-97661",
"created_at": "2022-09-04T14:35:52.578760Z",
"updated_at": "2022-09-04T14:35:52.578779Z",
"structure_string": "Si4 B4 H4 C12 N4 Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Si",
"B",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "B-C-Cl-H-N-Si",
"density": 2.090213003890476,
"density_atomic": 0.07043117666545877,
"volume": 511.13727903477314,
"volume_molar": 8.550390672307781,
"formula_full": "Si4 B4 H4 C12 N4 Cl8",
"formula_reduced": "SiBHC3NCl2",
"formula_anonymous": "ABCDE2F3",
"energy_above_hull": 4.418299174259259,
"spacegroup": 14
},
{
"id": "jvasp-91469",
"created_at": "2022-09-04T14:35:52.918453Z",
"updated_at": "2022-09-04T14:35:52.918479Z",
"structure_string": "Sr4 Zn4 P8 O28\n1.0\n5.355817 0.000000 -0.010257\n0.000000 8.230330 0.000000\n0.010275 0.000000 12.787693\nSr Zn P O\n4 4 8 28\ndirect\n0.712036 0.662628 0.720335 Sr\n0.787963 0.162628 0.779664 Sr\n0.287964 0.337372 0.279664 Sr\n0.212036 0.837372 0.220336 Sr\n0.668668 0.649949 0.394899 Zn\n0.331331 0.350051 0.605101 Zn\n0.831332 0.149949 0.105101 Zn\n0.168668 0.850051 0.894899 Zn\n0.251314 0.467419 0.836886 P\n0.180511 0.699008 0.518700 P\n0.819489 0.300993 0.481299 P\n0.748686 0.532581 0.163113 P\n0.680511 0.800992 0.018700 P\n0.751315 0.032581 0.336886 P\n0.248685 0.967419 0.663113 P\n0.319488 0.199008 0.981299 P\n0.770928 0.111926 0.452578 O\n0.444831 0.380941 0.767611 O\n0.292407 0.681087 0.408914 O\n0.792407 0.818913 0.908914 O\n0.169653 0.144715 0.651510 O\n0.830347 0.855285 0.348490 O\n0.173258 0.099055 0.899437 O\n0.229071 0.888074 0.547422 O\n0.899209 0.666699 0.526736 O\n0.014998 0.555619 0.201281 O\n0.326741 0.599055 0.600563 O\n0.944832 0.119059 0.267611 O\n0.555169 0.619059 0.232388 O\n0.485002 0.055619 0.298719 O\n0.669653 0.355285 0.151510 O\n0.600791 0.166699 0.973263 O\n0.207592 0.181087 0.091086 O\n0.100791 0.333301 0.473264 O\n0.729072 0.611926 0.047422 O\n0.826742 0.900944 0.100563 O\n0.985002 0.444381 0.798718 O\n0.330346 0.644714 0.848490 O\n0.707592 0.318913 0.591086 O\n0.055168 0.880940 0.732388 O\n0.270928 0.388074 0.952578 O\n0.673258 0.400944 0.399437 O\n0.514998 0.944381 0.701281 O\n0.399209 0.833301 0.026736 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Sr-Zn",
"density": 3.8528689285355666,
"density_atomic": 0.07805789375628883,
"volume": 563.6841821196987,
"volume_molar": 7.714967020250683,
"formula_full": "Sr4 Zn4 P8 O28",
"formula_reduced": "SrZnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.044862019090909,
"spacegroup": 14
},
{
"id": "jvasp-91356",
"created_at": "2022-09-04T14:35:52.944329Z",
"updated_at": "2022-09-04T14:35:52.944361Z",
"structure_string": "K4 Au4 I16\n1.0\n6.983723 0.000000 0.000000\n0.000000 9.472479 -2.125457\n0.000000 -0.360195 14.219529\nK Au I\n4 4 16\ndirect\n0.066645 0.806386 0.316550 K\n0.566645 0.193614 0.183450 K\n0.933355 0.193614 0.683450 K\n0.433355 0.806386 0.816550 K\n0.000000 0.500000 -0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.298469 0.157571 0.964550 I\n0.798469 0.842430 0.535450 I\n0.701531 0.842430 0.035450 I\n0.073286 0.087499 0.190304 I\n0.155371 0.504847 0.828739 I\n0.655371 0.495154 0.671261 I\n0.844628 0.495153 0.171261 I\n0.344629 0.504847 0.328739 I\n0.700301 0.355629 0.908524 I\n0.200301 0.644372 0.591476 I\n0.299699 0.644372 0.091476 I\n0.799699 0.355628 0.408524 I\n0.426714 0.087500 0.690304 I\n0.926713 0.912501 0.809696 I\n0.573286 0.912501 0.309696 I\n0.201531 0.157571 0.464550 I\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Au",
"I"
],
"chemical_system": "Au-I-K",
"density": 5.281246355725962,
"density_atomic": 0.025659658500490262,
"volume": 935.3203200089919,
"volume_molar": 23.469294261593305,
"formula_full": "K4 Au4 I16",
"formula_reduced": "KAuI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-97929",
"created_at": "2022-09-04T14:35:52.936208Z",
"updated_at": "2022-09-04T14:35:52.936227Z",
"structure_string": "Ca4 Be4 P4 O16 F4\n1.0\n4.740154 0.000000 -0.055337\n0.000000 7.698695 0.000000\n-0.095413 0.000000 9.766301\nCa Be P O F\n4 4 4 16 4\ndirect\n0.004587 0.887737 0.670487 Ca\n0.995413 0.112263 0.329512 Ca\n0.004587 0.612262 0.170487 Ca\n0.995413 0.387737 0.829512 Ca\n0.452939 0.914328 0.161293 Be\n0.547061 0.414329 0.338706 Be\n0.547061 0.085671 0.838706 Be\n0.452939 0.585671 0.661293 Be\n0.476228 0.228576 0.581359 P\n0.523772 0.728576 0.918641 P\n0.476228 0.271424 0.081359 P\n0.523772 0.771423 0.418641 P\n0.336892 0.108873 0.146649 O\n0.315411 0.845456 0.306103 O\n0.684588 0.154543 0.693897 O\n0.654612 0.217299 0.957033 O\n0.654612 0.282701 0.457033 O\n0.345387 0.782701 0.042966 O\n0.246779 0.099370 0.539040 O\n0.753221 0.599370 0.960960 O\n0.663107 0.608872 0.353351 O\n0.315412 0.654543 0.806103 O\n0.345388 0.717299 0.542966 O\n0.684588 0.345456 0.193897 O\n0.663107 0.891127 0.853351 O\n0.336893 0.391127 0.646649 O\n0.246779 0.400629 0.039040 O\n0.753221 0.900629 0.460960 O\n0.214525 0.407454 0.326491 F\n0.214525 0.092546 0.826491 F\n0.785475 0.592546 0.673509 F\n0.785474 0.907453 0.173509 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ca",
"Be",
"P",
"O",
"F"
],
"chemical_system": "Be-Ca-F-O-P",
"density": 3.0392487708469917,
"density_atomic": 0.08979658940560538,
"volume": 356.3609733044322,
"volume_molar": 6.706424820655916,
"formula_full": "Ca4 Be4 P4 O16 F4",
"formula_reduced": "CaBePO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.6291682878125,
"spacegroup": 14
},
{
"id": "jvasp-98559",
"created_at": "2022-09-04T14:35:53.076549Z",
"updated_at": "2022-09-04T14:35:53.076576Z",
"structure_string": "K4 Ni2 H24 C8 O28\n1.0\n6.628831 0.000000 0.000000\n0.000000 8.436481 -1.681406\n0.000000 0.004726 11.767578\nK Ni H C O\n4 2 24 8 28\ndirect\n0.660507 0.559785 0.877565 K\n0.160507 0.940216 0.622435 K\n0.839493 0.059785 0.377565 K\n0.339493 0.440215 0.122435 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.996243 0.286098 0.227891 H\n0.918087 0.825556 0.149819 H\n0.004553 0.679615 0.266947 H\n0.076399 0.600883 0.656684 H\n-0.004553 0.320385 0.733053 H\n0.785566 0.398234 0.614771 H\n0.915204 0.576427 0.149552 H\n0.503757 0.786099 0.727891 H\n0.496243 0.213902 0.272109 H\n0.418087 0.674444 0.350180 H\n0.495447 0.179615 0.766947 H\n0.081913 0.174444 0.850181 H\n0.504553 0.820385 0.233052 H\n0.581913 0.325556 0.649820 H\n0.423601 0.100882 0.156684 H\n0.415204 0.923573 0.350448 H\n0.584796 0.076427 0.649552 H\n0.214434 0.601766 0.385229 H\n0.714434 0.898234 0.114771 H\n0.576399 0.899118 0.843316 H\n0.084796 0.423573 0.850448 H\n0.285566 0.101767 0.885229 H\n0.923601 0.399118 0.343316 H\n0.003757 0.713902 0.772109 H\n0.690675 0.799361 0.543509 C\n0.671795 0.186450 0.957737 C\n0.190675 0.700639 0.956491 C\n0.828205 0.686449 0.457737 C\n0.171795 0.313551 0.542263 C\n0.309325 0.200639 0.456491 C\n0.328205 0.813551 0.042262 C\n0.809325 0.299361 0.043509 C\n0.482056 0.812165 0.812325 O\n0.232766 0.456483 0.571866 O\n0.515097 0.838473 0.318581 O\n0.012974 0.258965 0.579013 O\n0.517944 0.187836 0.187674 O\n0.767234 0.543517 0.428133 O\n0.267234 0.956483 0.071866 O\n0.243696 0.558581 0.924852 O\n0.487026 0.758965 0.079013 O\n0.732766 0.043517 0.928134 O\n0.145412 0.072076 0.862049 O\n0.854588 0.927925 0.137951 O\n0.028043 0.762077 0.925980 O\n0.971957 0.237923 0.074020 O\n0.987026 0.741035 0.420986 O\n0.015097 0.661527 0.181418 O\n0.756304 0.441419 0.075148 O\n0.354588 0.572075 0.362049 O\n0.256304 0.058581 0.424852 O\n0.645412 0.427925 0.637951 O\n0.743696 0.941419 0.575148 O\n0.512973 0.241035 0.920987 O\n0.484903 0.161527 0.681419 O\n0.982056 0.687836 0.687674 O\n0.528043 0.737924 0.574019 O\n0.471957 0.262077 0.425980 O\n0.984903 0.338473 0.818582 O\n0.017944 0.312164 0.312325 O\n",
"nsites": 66,
"nelements": 5,
"elements": [
"K",
"Ni",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-Ni-O",
"density": 2.1245226431985786,
"density_atomic": 0.10028219001919961,
"volume": 658.142786743727,
"volume_molar": 6.005194699923313,
"formula_full": "K4 Ni2 H24 C8 O28",
"formula_reduced": "K2NiH12(C2O7)2",
"formula_anonymous": "AB2C4D12E14",
"energy_above_hull": 3.4026035575757576,
"spacegroup": 14
},
{
"id": "jvasp-98812",
"created_at": "2022-09-04T14:35:53.023437Z",
"updated_at": "2022-09-04T14:35:53.023457Z",
"structure_string": "Fe4 Se8 N4 Cl24\n1.0\n9.508113 0.124086 0.000000\n-3.790954 9.377265 0.000000\n0.000000 0.000000 11.402775\nFe Se N Cl\n4 8 4 24\ndirect\n0.328000 0.011930 0.806252 Fe\n0.328000 0.511929 0.693748 Fe\n0.672000 0.488071 0.306252 Fe\n0.672000 0.988070 0.193748 Fe\n0.719571 0.368562 0.677656 Se\n0.280429 0.631438 0.322344 Se\n0.779606 0.445211 0.959371 Se\n0.719571 0.868561 0.822344 Se\n0.779606 0.945210 0.540630 Se\n0.220394 0.054790 0.459370 Se\n0.280429 0.131438 0.177656 Se\n0.220394 0.554789 0.040630 Se\n0.719439 0.858162 0.671357 N\n0.719439 0.358163 0.828644 N\n0.280561 0.641837 0.171357 N\n0.280561 0.141838 0.328644 N\n0.879271 0.081675 0.874773 Cl\n0.367387 0.350119 0.583514 Cl\n0.508543 0.572283 0.830242 Cl\n0.667440 0.302380 0.407596 Cl\n0.508542 0.072284 0.669759 Cl\n0.491458 0.427716 0.169758 Cl\n0.111118 0.424661 0.786194 Cl\n0.491458 0.927716 0.330242 Cl\n0.931965 0.166343 0.582254 Cl\n0.120729 0.918325 0.125228 Cl\n0.931965 0.666343 0.917746 Cl\n0.632613 0.149881 0.083514 Cl\n0.120729 0.418325 0.374773 Cl\n0.068035 0.333657 0.082254 Cl\n0.888882 0.575339 0.213806 Cl\n0.367387 0.850119 0.916486 Cl\n0.888882 0.075340 0.286194 Cl\n0.068035 0.833657 0.417746 Cl\n0.879271 0.581675 0.625228 Cl\n0.632613 0.649881 0.416486 Cl\n0.332560 0.697620 0.592404 Cl\n0.332560 0.197621 0.907597 Cl\n0.667440 0.802379 0.092404 Cl\n0.111118 0.924660 0.713807 Cl\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Fe",
"Se",
"N",
"Cl"
],
"chemical_system": "Cl-Fe-N-Se",
"density": 2.8627173794190846,
"density_atomic": 0.0391375485531619,
"volume": 1022.0364197227785,
"volume_molar": 15.38711795354253,
"formula_full": "Fe4 Se8 N4 Cl24",
"formula_reduced": "FeSe2NCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4030609888333332,
"spacegroup": 14
},
{
"id": "jvasp-98783",
"created_at": "2022-09-04T14:35:53.269939Z",
"updated_at": "2022-09-04T14:35:53.269954Z",
"structure_string": "K4 Mn4 F16\n1.0\n5.708375 0.000000 -0.055295\n0.000000 7.697022 0.000000\n0.017428 0.000000 7.754918\nK Mn F\n4 4 16\ndirect\n0.517560 0.694658 0.252514 K\n0.482439 0.194658 0.247486 K\n0.482439 0.305342 0.747486 K\n0.517561 0.805342 0.752514 K\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.293470 0.578628 0.556195 F\n0.901895 0.480174 0.766228 F\n0.098104 0.519825 0.233772 F\n0.901895 0.019826 0.266227 F\n0.706530 0.421372 0.443805 F\n0.098104 0.980174 0.733772 F\n0.877725 0.731076 0.499133 F\n0.705611 0.435154 0.066612 F\n0.122274 0.268924 0.500867 F\n0.877726 0.768924 0.999133 F\n0.293470 0.921372 0.056194 F\n0.294389 0.935154 0.433387 F\n0.294389 0.564846 0.933387 F\n0.706530 0.078628 0.943805 F\n0.122274 0.231076 0.000866 F\n0.705611 0.064846 0.566613 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Mn",
"F"
],
"chemical_system": "F-K-Mn",
"density": 3.3144589785557756,
"density_atomic": 0.07043513546883855,
"volume": 340.73903372583027,
"volume_molar": 8.549910098013905,
"formula_full": "K4 Mn4 F16",
"formula_reduced": "KMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1264014838649424,
"spacegroup": 14
},
{
"id": "jvasp-48459",
"created_at": "2022-09-04T14:35:53.764350Z",
"updated_at": "2022-09-04T14:35:53.764377Z",
"structure_string": "V6 O8 F4\n1.0\n0.000000 4.635741 0.021210\n4.637521 0.000000 0.000000\n0.000000 -4.399789 -8.944361\nV O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 V\n0.610365 0.987600 0.653688 V\n0.389634 0.012399 0.346312 V\n0.389634 0.487601 0.846312 V\n0.610366 0.512399 0.153688 V\n-0.000000 0.500000 0.500000 V\n0.291255 0.197728 0.499577 O\n0.637124 0.185956 0.830389 O\n0.362875 0.685956 0.669610 O\n0.708745 0.697728 0.000422 O\n0.291255 0.302271 0.999577 O\n0.362876 0.814044 0.169611 O\n0.708745 0.802271 0.500422 O\n0.637124 0.314044 0.330389 O\n0.033054 0.707113 0.329112 F\n0.033054 0.792887 0.829111 F\n0.966945 0.292887 0.670888 F\n0.966945 0.207113 0.170888 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.410978144179004,
"density_atomic": 0.09382026825321307,
"volume": 191.85619840074963,
"volume_molar": 6.418805735821117,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6481663516666667,
"spacegroup": 14
},
{
"id": "jvasp-91262",
"created_at": "2022-09-04T14:35:53.730151Z",
"updated_at": "2022-09-04T14:35:53.730175Z",
"structure_string": "K4 W4 O14\n1.0\n3.899232 0.002712 0.000000\n-0.037211 6.075912 0.000000\n0.000000 0.000000 13.691078\nK W O\n4 4 14\ndirect\n0.009146 0.330117 0.331231 K\n0.990852 0.169884 0.831230 K\n0.990853 0.669883 0.668769 K\n0.009147 0.830116 0.168770 K\n0.461329 0.716503 0.932685 W\n0.538671 0.283497 0.067315 W\n0.461328 0.216503 0.567314 W\n0.538672 0.783496 0.432686 W\n0.010097 0.275842 0.055912 O\n0.010095 0.775842 0.444089 O\n0.989903 0.724157 0.944088 O\n0.496112 0.812613 0.809622 O\n0.500001 0.500000 0.500000 O\n0.502846 0.088716 0.416938 O\n0.497154 0.411282 0.916937 O\n0.497154 0.911281 0.583062 O\n0.502846 0.588718 0.083063 O\n0.496112 0.312613 0.690379 O\n0.503887 0.187387 0.190378 O\n0.503887 0.687386 0.309621 O\n0.500001 0.000001 0.000000 O\n0.989905 0.224158 0.555911 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"W",
"O"
],
"chemical_system": "K-O-W",
"density": 5.711943765569201,
"density_atomic": 0.06782544237622147,
"volume": 324.36205691026726,
"volume_molar": 8.878881654167092,
"formula_full": "K4 W4 O14",
"formula_reduced": "K2W2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.1792927727272726,
"spacegroup": 14
},
{
"id": "jvasp-95486",
"created_at": "2022-09-04T14:35:53.855932Z",
"updated_at": "2022-09-04T14:35:53.855961Z",
"structure_string": "Sr8 Si8 O24\n1.0\n6.114413 0.000000 0.000000\n0.000000 7.462506 -0.832849\n0.000000 -0.025375 12.165794\nSr Si O\n8 8 24\ndirect\n0.408112 0.584198 0.840683 Sr\n0.091888 0.084198 0.340683 Sr\n0.598893 0.910390 0.125606 Sr\n0.901107 0.410389 0.625606 Sr\n0.908112 0.915801 0.659317 Sr\n0.591887 0.415802 0.159317 Sr\n0.401107 0.089610 0.874394 Sr\n0.098893 0.589611 0.374394 Sr\n0.850757 0.331619 0.881390 Si\n0.088145 0.248527 0.092302 Si\n0.588144 0.251473 0.407698 Si\n0.411854 0.748527 0.592302 Si\n0.350757 0.168380 0.618610 Si\n0.911855 0.751472 0.907697 Si\n0.149243 0.668381 0.118610 Si\n0.649242 0.831620 0.381390 Si\n0.616941 0.657030 0.648037 O\n0.129105 0.148315 0.546671 O\n0.370895 0.648316 0.046671 O\n0.439388 0.773619 0.457551 O\n0.883059 0.157030 0.148037 O\n0.676092 0.701240 0.267830 O\n0.587199 0.037203 0.343732 O\n0.825673 0.344656 0.399307 O\n0.116941 0.842970 0.851962 O\n0.176092 0.798761 0.232170 O\n0.870894 0.851684 0.453329 O\n0.412800 0.962797 0.656267 O\n0.087199 0.462797 0.156267 O\n0.823907 0.201239 0.767829 O\n0.674326 0.844656 0.899307 O\n0.174326 0.655344 0.600692 O\n0.939388 0.726382 0.042449 O\n0.912800 0.537203 0.843732 O\n0.323908 0.298760 0.732170 O\n0.325673 0.155344 0.100693 O\n0.060612 0.273618 0.957551 O\n0.560612 0.226381 0.542449 O\n0.629105 0.351684 0.953329 O\n0.383059 0.342970 0.351963 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 3.9184902035737474,
"density_atomic": 0.07207442342707289,
"volume": 554.9818936876162,
"volume_molar": 8.35544770759545,
"formula_full": "Sr8 Si8 O24",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4497330819999994,
"spacegroup": 14
},
{
"id": "jvasp-98802",
"created_at": "2022-09-04T14:35:54.243597Z",
"updated_at": "2022-09-04T14:35:54.243628Z",
"structure_string": "K8 Cr4 S4 O28\n1.0\n7.300568 0.000000 0.000000\n0.000000 7.334285 0.149349\n0.000000 0.265582 12.640072\nK Cr S O\n8 4 4 28\ndirect\n0.128656 0.132850 0.148250 K\n0.331530 0.850301 0.356471 K\n0.628656 0.367150 0.351750 K\n0.168470 0.350301 0.856471 K\n0.668470 0.149699 0.643529 K\n0.831530 0.649700 0.143529 K\n0.871344 0.867150 0.851750 K\n0.371344 0.632851 0.648250 K\n0.165809 0.352322 0.407002 Cr\n0.834191 0.647678 0.592998 Cr\n0.665809 0.147678 0.092998 Cr\n0.334191 0.852323 0.907002 Cr\n0.688028 0.381856 0.887274 S\n0.188028 0.118144 0.612726 S\n0.811972 0.881856 0.387274 S\n0.311972 0.618145 0.112726 S\n0.200437 0.011898 0.949145 O\n0.799564 -0.011899 0.050855 O\n0.927465 0.778062 0.480376 O\n0.045161 0.048729 0.684319 O\n0.999516 0.437666 0.336403 O\n0.295992 0.976731 0.562779 O\n0.210956 0.715395 0.838234 O\n0.195036 0.756732 0.159216 O\n0.000484 0.562335 0.663597 O\n0.572536 0.278061 0.980376 O\n0.499516 0.062334 0.163597 O\n0.795992 0.523270 0.937221 O\n0.804965 0.243268 0.840784 O\n0.289044 0.215395 0.338235 O\n0.545161 0.451271 0.815681 O\n0.204008 0.476731 0.062779 O\n0.072536 0.221939 0.519624 O\n0.500484 0.937666 0.836402 O\n0.700437 0.488102 0.550855 O\n0.954839 0.951271 0.315681 O\n0.304965 0.256732 0.659216 O\n0.299563 0.511899 0.449145 O\n0.695036 0.743269 0.340784 O\n0.427464 0.721939 0.019624 O\n0.454839 0.548730 0.184319 O\n0.789044 0.284605 0.161765 O\n0.704008 0.023270 0.437221 O\n0.710956 0.784605 0.661765 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-K-O-S",
"density": 2.6926700560127768,
"density_atomic": 0.06503910401677566,
"volume": 676.5160846719382,
"volume_molar": 9.25926156431475,
"formula_full": "K8 Cr4 S4 O28",
"formula_reduced": "K2CrSO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.2107143545454537,
"spacegroup": 14
}
]
}