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=75",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=73",
"results": [
{
"id": "jvasp-26460",
"created_at": "2022-09-04T14:37:54.458638Z",
"updated_at": "2022-09-04T14:37:54.458666Z",
"structure_string": "Na4 Al4 B4 O14\n1.0\n2.431246 -4.211043 0.000000\n2.431246 4.211043 0.000000\n0.000000 -0.000000 15.269559\nNa Al B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.250000 Na\n0.333334 0.666668 0.363534 Al\n0.666668 0.333334 0.863534 Al\n0.333334 0.666668 0.136466 Al\n0.666668 0.333334 0.636466 Al\n0.666668 0.333334 0.398683 B\n0.333334 0.666668 0.898683 B\n0.666668 0.333334 0.101317 B\n0.333334 0.666668 0.601318 B\n0.040204 0.647065 0.898465 O\n0.606862 0.647065 0.601535 O\n0.393139 0.040204 0.101535 O\n0.647065 0.040204 0.398465 O\n0.352936 0.393140 0.898465 O\n0.606862 0.959798 0.898465 O\n0.959797 0.352937 0.101535 O\n0.040204 0.393139 0.601535 O\n0.352937 0.959797 0.601535 O\n0.959798 0.606862 0.398465 O\n0.393140 0.352936 0.398465 O\n0.666668 0.333334 0.750000 O\n0.647065 0.606862 0.101535 O\n0.333334 0.666668 0.250000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Na-O",
"density": 2.480865744558318,
"density_atomic": 0.08315689745637228,
"volume": 312.6619774822735,
"volume_molar": 7.241901687300776,
"formula_full": "Na4 Al4 B4 O14",
"formula_reduced": "Na2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.413314866666667,
"spacegroup": 163
},
{
"id": "jvasp-85951",
"created_at": "2022-09-04T14:35:56.635537Z",
"updated_at": "2022-09-04T14:35:56.635561Z",
"structure_string": "Pr2 Ta2 Cl2 O7\n1.0\n3.833048 0.000002 -0.983875\n-0.701247 6.382068 -2.731933\n0.011002 0.023103 8.001228\nPr Ta Cl O\n2 2 2 7\ndirect\n0.308595 0.833784 0.617189 Pr\n0.691404 0.166216 0.382811 Pr\n0.965686 0.202712 0.931383 Ta\n0.034313 0.797287 0.068617 Ta\n0.677169 0.566414 0.354335 Cl\n0.322830 0.433585 0.645665 Cl\n0.456497 0.165507 0.912997 O\n0.543502 0.834492 0.087003 O\n0.918709 0.847802 0.837420 O\n-0.000000 0.500000 0.000000 O\n0.826053 0.071552 0.652110 O\n0.081290 0.152197 0.162580 O\n0.173946 0.928448 0.347890 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Pr",
"Ta",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr-Ta",
"density": 7.001064252968598,
"density_atomic": 0.06630650863631202,
"volume": 196.0591843449995,
"volume_molar": 9.082276964741348,
"formula_full": "Pr2 Ta2 Cl2 O7",
"formula_reduced": "Pr2Ta2Cl2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.957950825769231,
"spacegroup": 12
},
{
"id": "jvasp-24284",
"created_at": "2022-09-04T14:38:20.160484Z",
"updated_at": "2022-09-04T14:38:20.160506Z",
"structure_string": "Rb8 Al8 B8 O28\n1.0\n0.000000 8.863194 -0.095884\n7.627686 0.000000 0.000000\n0.000000 -2.761907 -11.499283\nRb Al B O\n8 8 8 28\ndirect\n0.970605 0.357053 0.874696 Rb\n0.029394 0.857054 0.625304 Rb\n0.544204 0.864615 0.144881 Rb\n0.455795 0.364615 0.355119 Rb\n0.544204 0.635386 0.644880 Rb\n0.029394 0.642947 0.125304 Rb\n0.970605 0.142947 0.374696 Rb\n0.455795 0.135385 0.855119 Rb\n0.656474 0.125637 0.621029 Al\n0.814939 0.915130 0.864565 Al\n0.185060 0.084870 0.135435 Al\n0.185060 0.415130 0.635435 Al\n0.343525 0.625637 0.878970 Al\n0.656474 0.374364 0.121029 Al\n0.343525 0.874364 0.378970 Al\n0.814939 0.584871 0.364565 Al\n0.313877 0.390573 0.065318 B\n0.158676 0.917728 0.908745 B\n0.686122 0.890573 0.434682 B\n0.841323 0.082272 0.091255 B\n0.158677 0.582272 0.408745 B\n0.313877 0.109427 0.565317 B\n0.841323 0.417728 0.591255 B\n0.686122 0.609428 0.934682 B\n0.761245 0.322538 0.658404 O\n0.280297 0.541541 0.000770 O\n0.238754 0.822538 0.841595 O\n0.804602 0.686455 0.892999 O\n0.234877 0.969732 0.018009 O\n0.719702 0.041541 0.499230 O\n0.991869 0.033605 0.138985 O\n0.238754 0.677463 0.341595 O\n0.195396 0.186454 0.607000 O\n0.458331 0.185640 0.588131 O\n0.008130 0.966396 0.861015 O\n0.690626 0.524687 0.234716 O\n0.761245 0.177462 0.158404 O\n0.804603 0.813546 0.392999 O\n0.458331 0.314360 0.088132 O\n0.765122 0.469732 0.481991 O\n0.765122 0.030269 0.981991 O\n0.195397 0.313546 0.107000 O\n0.991869 0.466396 0.638985 O\n0.541668 0.814360 0.411868 O\n0.008130 0.533605 0.361015 O\n0.719702 0.458459 -0.000770 O\n0.309373 0.024687 0.265284 O\n0.280297 0.958460 0.500770 O\n0.309373 0.475314 0.765284 O\n0.234877 0.530269 0.518008 O\n0.541668 0.685640 0.911868 O\n0.690626 0.975314 0.734716 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Rb",
"density": 3.0551842634046658,
"density_atomic": 0.06671485445136309,
"volume": 779.4366101466861,
"volume_molar": 9.026686499616515,
"formula_full": "Rb8 Al8 B8 O28",
"formula_reduced": "Rb2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.367445020512821,
"spacegroup": 14
},
{
"id": "jvasp-98644",
"created_at": "2022-09-04T14:35:57.481754Z",
"updated_at": "2022-09-04T14:35:57.481781Z",
"structure_string": "Li12 P12 H12 O42\n1.0\n7.901822 4.562119 4.118941\n-7.901822 4.562119 4.118941\n-0.000000 -9.124238 4.118941\nLi P H O\n12 12 12 42\ndirect\n0.813165 0.186834 0.500000 Li\n0.761098 0.209354 0.761098 Li\n0.761098 0.761098 0.209354 Li\n0.209354 0.761098 0.761098 Li\n0.238902 0.238902 0.790646 Li\n0.790646 0.238902 0.238902 Li\n0.238902 0.790646 0.238902 Li\n0.500000 0.186834 0.813165 Li\n0.813165 0.500000 0.186834 Li\n0.500000 0.813165 0.186834 Li\n0.186834 0.500000 0.813165 Li\n0.186834 0.813165 0.500000 Li\n0.511506 0.698514 0.885113 P\n0.511506 0.885113 0.698514 P\n0.698514 0.511506 0.885113 P\n0.885113 0.698514 0.511506 P\n0.698514 0.885113 0.511506 P\n0.885113 0.511506 0.698514 P\n0.301486 0.114887 0.488494 P\n0.301486 0.488494 0.114887 P\n0.114887 0.301486 0.488494 P\n0.488494 0.301486 0.114887 P\n0.114887 0.488494 0.301486 P\n0.488494 0.114887 0.301486 P\n0.929831 0.028475 0.285528 H\n0.929831 0.285528 0.028475 H\n0.028475 0.929831 0.285528 H\n0.285528 0.028475 0.929831 H\n0.028475 0.285528 0.929831 H\n0.285528 0.929831 0.028475 H\n0.714472 0.971525 0.070169 H\n0.971525 0.070169 0.714472 H\n0.971525 0.714472 0.070169 H\n0.070169 0.971525 0.714472 H\n0.714472 0.070169 0.971525 H\n0.070169 0.714472 0.971525 H\n0.349703 0.657661 0.838203 O\n0.657661 0.838203 0.349703 O\n0.166647 0.448651 0.448651 O\n0.448651 0.448651 0.166647 O\n0.448651 0.166647 0.448651 O\n0.833353 0.551349 0.551349 O\n0.551349 0.551349 0.833353 O\n0.551349 0.833353 0.551349 O\n0.577123 0.789749 0.789749 O\n0.789749 0.577123 0.789749 O\n0.422877 0.210250 0.210250 O\n0.210250 0.210250 0.422877 O\n0.210250 0.422877 0.210250 O\n0.747996 0.073351 0.073351 O\n0.073351 0.073351 0.747996 O\n0.073351 0.747996 0.073351 O\n0.252003 0.926649 0.926649 O\n0.838203 0.349703 0.657661 O\n0.789749 0.789749 0.577123 O\n0.349703 0.838203 0.657661 O\n0.219470 0.956405 0.402657 O\n0.838203 0.657661 0.349703 O\n0.956405 0.402657 0.219470 O\n0.402656 0.219470 0.956405 O\n0.926649 0.926649 0.252003 O\n0.956405 0.219470 0.402657 O\n0.219470 0.402656 0.956405 O\n0.402657 0.956405 0.219470 O\n0.043595 0.597343 0.780530 O\n0.597343 0.780530 0.043594 O\n0.657661 0.349703 0.838203 O\n0.780530 0.043595 0.597343 O\n0.780530 0.597343 0.043594 O\n0.597343 0.043595 0.780530 O\n0.161797 0.342339 0.650297 O\n0.342339 0.650297 0.161797 O\n0.650297 0.161797 0.342339 O\n0.161797 0.650297 0.342339 O\n0.650297 0.342339 0.161797 O\n0.342339 0.161797 0.650297 O\n0.043595 0.780530 0.597343 O\n0.926649 0.252003 0.926649 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Li",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P",
"density": 2.1230496666492473,
"density_atomic": 0.08755156819742106,
"volume": 890.9035167036287,
"volume_molar": 6.878392796369568,
"formula_full": "Li12 P12 H12 O42",
"formula_reduced": "Li2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.615270423076923,
"spacegroup": 166
},
{
"id": "jvasp-97443",
"created_at": "2022-09-04T14:36:00.119400Z",
"updated_at": "2022-09-04T14:36:00.119429Z",
"structure_string": "K6 Al6 B6 O21\n1.0\n8.601791 -0.000000 0.000000\n-4.300895 7.449369 -0.000000\n0.000000 -0.000000 8.403165\nK Al B O\n6 6 6 21\ndirect\n0.353923 0.000000 0.500000 K\n-0.000000 0.315251 0.000000 K\n0.315251 0.000000 0.000000 K\n0.646076 0.646077 0.500000 K\n0.684748 0.684749 0.000000 K\n-0.000000 0.353923 0.500000 K\n0.000000 0.000000 0.704846 Al\n0.666667 0.333333 0.225009 Al\n0.333333 0.666667 0.774990 Al\n0.000000 0.000000 0.295154 Al\n0.333333 0.666667 0.186564 Al\n0.666667 0.333333 0.813435 Al\n0.664822 0.998898 0.742084 B\n0.665925 0.001102 0.257916 B\n0.998898 0.664823 0.257916 B\n0.334075 0.335177 0.742084 B\n0.335177 0.334075 0.257916 B\n0.001101 0.665925 0.742084 B\n0.483119 0.884845 0.256475 O\n0.000000 0.000000 0.500000 O\n0.666667 0.333333 0.019228 O\n0.550710 0.820530 0.704225 O\n0.783866 0.940981 0.222482 O\n0.059019 0.842886 0.222482 O\n0.516880 0.401725 0.743525 O\n0.940980 0.783867 0.777517 O\n0.179469 0.730181 0.704225 O\n0.269819 0.449289 0.704225 O\n0.115155 0.598275 0.256475 O\n0.333333 0.666667 0.980771 O\n0.401725 0.516881 0.256475 O\n0.884844 0.483119 0.743525 O\n0.216133 0.157114 0.777517 O\n0.449289 0.269819 0.295775 O\n0.157114 0.216133 0.222482 O\n0.842886 0.059019 0.777517 O\n0.730180 0.179470 0.295775 O\n0.820530 0.550711 0.295775 O\n0.598275 0.115155 0.743525 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"K",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-K-O",
"density": 2.4588795906176077,
"density_atomic": 0.07242914229611001,
"volume": 538.4572944486545,
"volume_molar": 8.31452723184247,
"formula_full": "K6 Al6 B6 O21",
"formula_reduced": "K2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3673085589743588,
"spacegroup": 150
},
{
"id": "jvasp-24272",
"created_at": "2022-09-04T14:38:27.115852Z",
"updated_at": "2022-09-04T14:38:27.115871Z",
"structure_string": "Nd2 Ta2 Cl2 O7\n1.0\n-3.945806 -0.000002 -0.000114\n-0.000076 -6.955380 0.012971\n1.972862 3.128729 7.061052\nNd Ta Cl O\n2 2 2 7\ndirect\n0.307954 0.834215 0.615905 Nd\n0.692049 0.165784 0.384095 Nd\n0.965491 0.201845 0.930974 Ta\n0.034512 0.798154 0.069026 Ta\n0.677672 0.565906 0.355343 Cl\n0.322331 0.434093 0.644657 Cl\n0.455481 0.163108 0.910958 O\n0.544522 0.836891 0.089042 O\n0.918068 0.846777 0.836138 O\n0.000000 0.500000 -0.000000 O\n0.824992 0.069779 0.649984 O\n0.081934 0.153222 0.163862 O\n0.175010 0.930221 0.350017 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Nd",
"Ta",
"Cl",
"O"
],
"chemical_system": "Cl-Nd-O-Ta",
"density": 7.134436064866297,
"density_atomic": 0.06702890642737956,
"volume": 193.94617476095118,
"volume_molar": 8.984393571338519,
"formula_full": "Nd2 Ta2 Cl2 O7",
"formula_reduced": "Nd2Ta2Cl2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.947288771923077,
"spacegroup": 12
},
{
"id": "jvasp-97953",
"created_at": "2022-09-04T14:35:43.116032Z",
"updated_at": "2022-09-04T14:35:43.116054Z",
"structure_string": "K8 P8 H8 O28\n1.0\n8.004307 -0.000688 -0.790269\n0.066645 8.084261 -1.066224\n-0.021036 -0.010180 11.188367\nK P H O\n8 8 8 28\ndirect\n0.747805 0.297405 0.945862 K\n0.252195 0.702595 0.054138 K\n0.287426 0.121869 0.929215 K\n0.712575 0.878131 0.070785 K\n0.388744 0.297629 0.567299 K\n0.611256 0.702371 0.432702 K\n0.175317 0.781647 0.548418 K\n0.824683 0.218353 0.451583 K\n0.524526 0.287834 0.217723 P\n0.475474 0.712166 0.782278 P\n0.215156 0.459438 0.286719 P\n0.784845 0.540562 0.713282 P\n0.375825 0.994115 0.297186 P\n0.945721 0.860633 0.804288 P\n0.624175 0.005885 0.702814 P\n0.054279 0.139367 0.195713 P\n0.923142 0.884612 0.333903 H\n0.975211 0.701269 0.318817 H\n0.024789 0.298731 0.681184 H\n0.076859 0.115388 0.666098 H\n0.096881 0.439841 0.862649 H\n0.733245 0.519091 0.178788 H\n0.266756 0.480908 0.821212 H\n0.903120 0.560159 0.137352 H\n0.896719 0.423689 0.777771 O\n0.781953 0.565519 0.112624 O\n0.218047 0.434481 0.887377 O\n0.348427 0.388190 0.192016 O\n0.651574 0.611809 0.807985 O\n0.479405 0.170109 0.316959 O\n0.520595 0.829890 0.683041 O\n0.553459 0.187966 0.099692 O\n0.446542 0.812033 0.900308 O\n0.653536 0.405645 0.283656 O\n0.346464 0.594354 0.716345 O\n0.103281 0.576311 0.222230 O\n0.300517 0.518612 0.409118 O\n0.227338 0.029268 0.191701 O\n0.111418 0.293964 0.300157 O\n0.888582 0.706036 0.699844 O\n0.019393 0.193208 0.073522 O\n0.980608 0.806792 0.926478 O\n0.925017 0.048442 0.248216 O\n0.074983 0.951558 0.751785 O\n0.479551 0.858226 0.238208 O\n0.520450 0.141774 0.761793 O\n0.311072 0.983103 0.416067 O\n0.688928 0.016897 0.583934 O\n0.083279 0.216617 0.626635 O\n0.772663 0.970732 0.808299 O\n0.699483 0.481388 0.590883 O\n0.916721 0.783382 0.373365 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.332440037545095,
"density_atomic": 0.07184635017335053,
"volume": 723.766758847661,
"volume_molar": 8.381971729210749,
"formula_full": "K8 P8 H8 O28",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.309973961538461,
"spacegroup": 2
},
{
"id": "jvasp-61253",
"created_at": "2022-09-04T14:35:51.813795Z",
"updated_at": "2022-09-04T14:35:51.813816Z",
"structure_string": "K6 Al6 B6 O21\n1.0\n4.314808 -7.473467 0.000000\n4.314808 7.473467 -0.000000\n0.000000 -0.000000 8.425528\nK Al B O\n6 6 6 21\ndirect\n0.000000 0.314652 0.000000 K\n0.314652 0.000000 0.000000 K\n0.685348 0.685348 0.000000 K\n0.000000 0.354317 0.500000 K\n0.354317 0.000000 0.500000 K\n0.645683 0.645683 0.500000 K\n0.000000 0.000000 0.704873 Al\n0.000000 0.000000 0.295127 Al\n0.666667 0.333333 0.813182 Al\n0.333333 0.666667 0.186818 Al\n0.333333 0.666667 0.775142 Al\n0.666667 0.333333 0.224858 Al\n0.998838 0.664861 0.257973 B\n0.666023 0.001162 0.257973 B\n0.335140 0.333978 0.257973 B\n0.001162 0.666023 0.742028 B\n0.333978 0.335140 0.742028 B\n0.664861 0.998838 0.742028 B\n0.115539 0.599556 0.256564 O\n0.000000 0.000000 0.500000 O\n0.821141 0.550401 0.295363 O\n0.729260 0.178860 0.295363 O\n0.449600 0.270740 0.295363 O\n0.550401 0.821141 0.704638 O\n0.178860 0.729260 0.704638 O\n0.270740 0.449600 0.704638 O\n0.484018 0.884462 0.256564 O\n0.942105 0.784266 0.777255 O\n0.599556 0.115539 0.743437 O\n0.884462 0.484018 0.743437 O\n0.515983 0.400444 0.743437 O\n0.057896 0.842162 0.222745 O\n0.784266 0.942105 0.222745 O\n0.157839 0.215734 0.222745 O\n0.842162 0.057896 0.777255 O\n0.333333 0.666667 0.980974 O\n0.215734 0.157839 0.777255 O\n0.400444 0.515983 0.256564 O\n0.666667 0.333333 0.019026 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"K",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-K-O",
"density": 2.4365639176420815,
"density_atomic": 0.07177180833817841,
"volume": 543.3888444922221,
"volume_molar": 8.390677202425415,
"formula_full": "K6 Al6 B6 O21",
"formula_reduced": "K2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3678993282051284,
"spacegroup": 150
},
{
"id": "jvasp-34597",
"created_at": "2022-09-04T14:37:11.768161Z",
"updated_at": "2022-09-04T14:37:11.768171Z",
"structure_string": "Sr4 Be4 B4 O14\n1.0\n2.358381 -4.084836 0.000000\n2.358381 4.084836 -0.000000\n0.000000 0.000000 15.495386\nSr Be B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.602045 Be\n0.333333 0.666667 0.397955 Be\n0.333333 0.666667 0.102045 Be\n0.333333 0.666667 0.897955 Be\n0.666667 0.333333 0.635758 B\n0.666667 0.333333 0.864243 B\n0.666667 0.333333 0.135758 B\n0.666667 0.333333 0.364242 B\n0.392236 0.025002 0.863229 O\n0.974998 0.607763 0.136771 O\n0.392236 0.367234 0.136771 O\n0.333333 0.666667 0.500000 O\n0.632766 0.025002 0.363229 O\n0.632766 0.025002 0.136771 O\n0.974998 0.367233 0.636771 O\n0.392236 0.367234 0.363229 O\n0.974998 0.607763 0.363229 O\n0.632766 0.607764 0.636771 O\n0.392236 0.025002 0.636771 O\n0.974998 0.367233 0.863229 O\n0.632766 0.607764 0.863229 O\n0.333333 0.666667 0.000000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sr",
"Be",
"B",
"O"
],
"chemical_system": "B-Be-O-Sr",
"density": 3.63621312666643,
"density_atomic": 0.08708680561912234,
"volume": 298.5526890687902,
"volume_molar": 6.91510122249526,
"formula_full": "Sr4 Be4 B4 O14",
"formula_reduced": "Sr2Be2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.449089575897436,
"spacegroup": 188
},
{
"id": "jvasp-46787",
"created_at": "2022-09-04T14:38:07.518738Z",
"updated_at": "2022-09-04T14:38:07.518773Z",
"structure_string": "Li4 Si4 Ni4 O14\n1.0\n5.015066 0.000000 0.000000\n-2.507533 4.112912 0.000000\n0.000000 0.000000 13.057951\nLi Si Ni O\n4 4 4 14\ndirect\n0.341689 0.594450 0.583241 Li\n0.341689 0.594450 0.916759 Li\n0.747239 0.405549 0.416759 Li\n0.747239 0.405549 0.083241 Li\n0.398683 0.702607 0.363633 Si\n0.398683 0.702607 0.136367 Si\n0.696076 0.297393 0.636367 Si\n0.696076 0.297393 0.863632 Si\n0.014176 0.996356 0.750000 Ni\n0.017819 0.003643 0.250000 Ni\n0.040040 0.000000 0.000000 Ni\n0.040040 0.000000 0.500000 Ni\n0.327909 0.193188 0.864917 O\n0.752618 0.027729 0.130255 O\n0.752618 0.027729 0.369745 O\n0.848825 0.487234 0.750000 O\n0.327909 0.193188 0.635083 O\n0.367973 0.446906 0.449333 O\n0.134721 0.806812 0.135083 O\n0.724889 0.972271 0.630255 O\n0.724889 0.972271 0.869745 O\n0.361590 0.512765 0.250000 O\n0.134721 0.806812 0.364917 O\n0.921069 0.553094 0.949333 O\n0.367973 0.446906 0.050667 O\n0.921069 0.553094 0.550667 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.6921677177869157,
"density_atomic": 0.0965322086880852,
"volume": 269.3401544764316,
"volume_molar": 6.238478163758521,
"formula_full": "Li4 Si4 Ni4 O14",
"formula_reduced": "Li2Si2Ni2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3571551153846158,
"spacegroup": 40
},
{
"id": "jvasp-28390",
"created_at": "2022-09-04T14:36:51.947464Z",
"updated_at": "2022-09-04T14:36:51.947485Z",
"structure_string": "K2 Mg2 Si2 O7\n1.0\n5.115816 -0.000003 0.000002\n-2.557911 4.430432 -0.000002\n0.000001 -0.000003 6.632863\nK Mg Si O\n2 2 2 7\ndirect\n0.333337 0.666669 0.500000 K\n0.666664 0.333332 0.500000 K\n0.666667 0.333334 -0.000000 Mg\n0.333333 0.666666 0.000000 Mg\n0.000000 0.000001 0.758045 Si\n0.000000 -0.000001 0.241955 Si\n0.000000 0.000000 0.500000 O\n0.688085 0.000001 0.180777 O\n0.311916 0.311916 0.180777 O\n-0.000000 0.688085 0.180778 O\n0.311916 0.000001 0.819222 O\n0.688085 0.688085 0.819222 O\n0.000000 0.311915 0.819222 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Mg",
"Si",
"O"
],
"chemical_system": "K-Mg-O-Si",
"density": 3.258142540646234,
"density_atomic": 0.08647319013682288,
"volume": 150.33561245318518,
"volume_molar": 6.964170918722232,
"formula_full": "K2 Mg2 Si2 O7",
"formula_reduced": "K2Mg2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 1.635114292307692,
"spacegroup": 162
},
{
"id": "jvasp-48148",
"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.671755621846919,
"density_atomic": 0.09584502191550322,
"volume": 271.2712614633397,
"volume_molar": 6.283206617980752,
"formula_full": "Li4 Co4 Si4 O14",
"formula_reduced": "Li2Co2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.780621807692308,
"spacegroup": 40
}
]
}