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=-id&page=70",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=68",
"results": [
{
"id": "jvasp-9866",
"created_at": "2022-09-04T14:37:13.853535Z",
"updated_at": "2022-09-04T14:37:13.853557Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.346705 0.012612 0.001852\n3.161759 5.815364 0.008371\n3.167772 1.985229 5.460769\nMg Sn O\n2 4 8\ndirect\n0.645160 0.105233 0.104983 Mg\n0.355344 0.894767 0.895023 Mg\n0.011349 0.000003 0.500004 Sn\n-0.001172 0.526133 0.475157 Sn\n-0.009878 0.499996 0.000003 Sn\n0.500122 0.473880 0.524847 Sn\n0.223238 0.757046 0.757683 O\n0.202051 0.805983 0.261200 O\n0.763237 0.757065 0.756631 O\n0.796585 0.739053 0.194158 O\n0.237971 0.242939 0.242324 O\n0.769244 0.194006 0.738818 O\n0.229808 0.260963 0.805814 O\n0.776949 0.242928 0.243354 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.376415608097826,
"density_atomic": 0.06958151540970926,
"volume": 201.2028613858914,
"volume_molar": 8.654799661290049,
"formula_full": "Mg2 Sn4 O8",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.320108064285714,
"spacegroup": 24
},
{
"id": "jvasp-98655",
"created_at": "2022-09-04T14:36:04.026744Z",
"updated_at": "2022-09-04T14:36:04.026763Z",
"structure_string": "Zn2 Si2 Ag4 O8\n1.0\n5.525459 0.000000 -0.074736\n0.000000 5.487073 0.000000\n-0.042900 0.000000 6.991418\nZn Si Ag O\n2 2 4 8\ndirect\n0.495836 0.808980 0.502225 Zn\n0.995836 0.191019 0.002225 Zn\n0.994392 0.687641 0.254411 Si\n0.494392 0.312359 0.754412 Si\n0.981304 0.199772 0.512347 Ag\n0.481304 0.800228 0.012347 Ag\n0.498569 0.298626 0.243674 Ag\n-0.001431 0.701373 0.743675 Ag\n0.201755 0.289983 0.790895 O\n0.701755 0.710017 0.290895 O\n0.146063 0.795250 0.441915 O\n0.646063 0.204750 0.941915 O\n0.571913 0.600406 0.723727 O\n0.562167 0.156290 0.559803 O\n0.071913 0.399594 0.223727 O\n0.062167 0.843710 0.059803 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-O-Si-Zn",
"density": 5.848110517154472,
"density_atomic": 0.07548865046803503,
"volume": 211.95239152904253,
"volume_molar": 7.977544601290786,
"formula_full": "Zn2 Si2 Ag4 O8",
"formula_reduced": "ZnSi(AgO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.35736094,
"spacegroup": 7
},
{
"id": "jvasp-98653",
"created_at": "2022-09-04T14:36:02.794348Z",
"updated_at": "2022-09-04T14:36:02.794363Z",
"structure_string": "Pd2 Au4 F16\n1.0\n5.103291 0.060537 0.000000\n0.058464 5.543463 0.000000\n0.000000 0.000000 11.022166\nPd Au F\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.273054 0.013166 0.684784 Au\n0.773054 0.513166 0.815217 Au\n0.726944 0.986834 0.315217 Au\n0.226945 0.486834 0.184784 Au\n0.783477 0.195078 0.899209 F\n0.716522 0.304923 0.399209 F\n0.280342 0.319794 0.771256 F\n0.219657 0.180206 0.271256 F\n0.719657 0.680206 0.228744 F\n0.244605 0.176250 0.524755 F\n0.291522 0.851271 0.846236 F\n0.791523 0.351272 0.653765 F\n0.708477 0.148729 0.153764 F\n0.283477 0.695077 0.600791 F\n0.216522 0.804922 0.100791 F\n0.744604 0.676250 0.975246 F\n0.755394 0.823750 0.475245 F\n0.255395 0.323750 0.024755 F\n0.208476 0.648728 0.346236 F\n0.780342 0.819794 0.728744 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pd",
"Au",
"F"
],
"chemical_system": "Au-F-Pd",
"density": 6.9487909546129805,
"density_atomic": 0.07056325125494806,
"volume": 311.7770171971393,
"volume_molar": 8.534386742245971,
"formula_full": "Pd2 Au4 F16",
"formula_reduced": "Pd(AuF4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.0420821,
"spacegroup": 14
},
{
"id": "jvasp-98647",
"created_at": "2022-09-04T14:36:01.544439Z",
"updated_at": "2022-09-04T14:36:01.544465Z",
"structure_string": "Ca1 V2 P2 H8 O14\n1.0\n6.344425 0.029146 -0.444981\n-0.114503 6.082203 -1.844057\n0.009673 -0.023519 6.594730\nCa V P H O\n1 2 2 8 14\ndirect\n0.535537 0.469472 0.153661 Ca\n0.832043 0.504602 0.705336 V\n0.320025 0.935345 0.519222 V\n0.330342 0.468336 0.623837 P\n0.830378 0.969095 0.607603 P\n0.709269 -0.002777 -0.012156 H\n0.685924 0.064695 0.241597 H\n0.175918 0.182026 0.975046 H\n0.184051 0.252203 0.230986 H\n0.419923 0.910278 0.100900 H\n0.919702 0.716665 0.202054 H\n0.979698 0.470195 0.092458 H\n0.226463 0.741913 0.017627 H\n0.008401 0.891229 0.452247 O\n0.326080 0.806708 0.143227 O\n0.872426 0.585761 0.080786 O\n0.626236 0.934569 0.456748 O\n0.819090 0.834545 0.769467 O\n0.862741 0.209436 0.744395 O\n0.787079 0.444123 0.447844 O\n0.296547 0.231414 0.472247 O\n0.142445 0.546099 0.761734 O\n0.357359 0.610337 0.471747 O\n0.323479 0.009211 0.776478 O\n0.177004 0.308945 0.105063 O\n0.527147 0.488188 0.782679 O\n0.629083 0.089188 0.107465 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Ca",
"V",
"P",
"H",
"O"
],
"chemical_system": "Ca-H-O-P-V",
"density": 2.8473419929513195,
"density_atomic": 0.10619498940193989,
"volume": 254.24928381326046,
"volume_molar": 5.670833241676459,
"formula_full": "Ca1 V2 P2 H8 O14",
"formula_reduced": "CaV2P2(H4O7)2",
"formula_anonymous": "AB2C2D8E14",
"energy_above_hull": 3.183569215555556,
"spacegroup": 1
},
{
"id": "jvasp-98645",
"created_at": "2022-09-04T14:35:59.933448Z",
"updated_at": "2022-09-04T14:35:59.933467Z",
"structure_string": "Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O",
"density": 2.2154480481035104,
"density_atomic": 0.10449666590592653,
"volume": 497.6235322839216,
"volume_molar": 5.762997994042654,
"formula_full": "Mn4 H24 O12 F12",
"formula_reduced": "MnH6(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.386405276067639,
"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-98642",
"created_at": "2022-09-04T14:35:52.011345Z",
"updated_at": "2022-09-04T14:35:52.011363Z",
"structure_string": "Na6 Ga2 P4 H4 O18\n1.0\n7.677393 3.590018 -0.867649\n-7.677393 3.590018 0.867649\n0.020146 -0.000000 7.036580\nNa Ga P H O\n6 2 4 4 18\ndirect\n0.234250 0.234250 -0.000000 Na\n0.765750 0.765750 0.000000 Na\n0.386679 0.613322 0.288456 Na\n0.613322 0.386679 0.711544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.881474 0.118527 0.300773 P\n0.118527 0.881473 0.699227 P\n0.619271 0.380730 0.226740 P\n0.380730 0.619271 0.773261 P\n0.942331 0.057670 0.611930 H\n0.057670 0.942331 0.388070 H\n0.812252 0.187749 0.813792 H\n0.187749 0.812251 0.186208 H\n0.651691 0.991252 0.237879 O\n0.116541 0.883459 0.470315 O\n0.883459 0.116541 0.529685 O\n0.026561 0.973440 0.760958 O\n0.973440 0.026560 0.239042 O\n0.348310 0.008748 0.762121 O\n0.991253 0.651691 0.762121 O\n0.008748 0.348309 0.237879 O\n0.520466 0.479535 0.219802 O\n0.176380 0.467604 0.886061 O\n0.467604 0.176380 0.113939 O\n0.823621 0.532397 0.113939 O\n0.332929 0.667071 0.571232 O\n0.667071 0.332929 0.428768 O\n0.479535 0.520466 0.780199 O\n0.759471 0.240529 0.878970 O\n0.532397 0.823620 0.886061 O\n0.240530 0.759471 0.121030 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Na",
"Ga",
"P",
"H",
"O"
],
"chemical_system": "Ga-H-Na-O-P",
"density": 2.9670725531530495,
"density_atomic": 0.08762668754468603,
"volume": 388.00964583605185,
"volume_molar": 6.8724961866542715,
"formula_full": "Na6 Ga2 P4 H4 O18",
"formula_reduced": "Na3GaP2H2O9",
"formula_anonymous": "AB2C2D3E9",
"energy_above_hull": 2.103684225,
"spacegroup": 12
},
{
"id": "jvasp-98641",
"created_at": "2022-09-04T14:35:49.165629Z",
"updated_at": "2022-09-04T14:35:49.165646Z",
"structure_string": "Ga2 H24 N6 O6 F12\n1.0\n5.857995 0.256518 1.238357\n2.321830 7.100714 0.443519\n0.728323 -0.177731 10.344862\nGa H N O F\n2 24 6 6 12\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.054558 0.196734 0.496817 H\n0.326416 0.879053 0.616553 H\n0.673585 0.120947 0.383447 H\n0.056262 0.051433 0.690030 H\n0.943738 0.948566 0.309970 H\n0.322421 0.105281 0.638436 H\n0.677580 0.894719 0.361564 H\n0.968656 0.465671 0.343474 H\n0.031344 0.534329 0.656527 H\n0.336861 0.364660 0.102314 H\n0.663139 0.635339 0.897686 H\n0.945442 0.803266 0.503183 H\n0.787598 0.790057 0.806281 H\n0.379659 0.315945 0.257073 H\n0.620341 0.684055 0.742927 H\n0.739632 0.451358 0.063162 H\n0.260368 0.548641 0.936838 H\n0.439864 0.835006 0.139067 H\n0.560136 0.164994 0.860934 H\n0.587386 0.682389 0.243238 H\n0.412614 0.317610 0.756762 H\n0.761339 0.742656 0.096939 H\n0.212403 0.209943 0.193719 H\n0.238661 0.257343 0.903061 H\n0.774605 0.974362 0.382907 N\n0.255771 0.331525 0.199139 N\n0.225395 0.025638 0.617093 N\n0.597723 0.717210 0.142838 N\n0.402277 0.282790 0.857162 N\n0.744229 0.668475 0.800861 N\n0.415528 0.431498 -0.069519 O\n0.584473 0.568502 0.069519 O\n-0.036631 0.505567 0.752087 O\n0.036631 0.494433 0.247913 O\n0.801306 0.928099 0.514923 O\n0.198694 0.071901 0.485078 O\n0.149305 0.608766 0.512089 F\n0.850695 0.391234 0.487911 F\n0.441477 0.292026 0.600964 F\n0.558524 0.707974 0.399036 F\n0.035420 0.732318 0.994255 F\n0.145469 0.976100 0.154278 F\n0.314642 -0.050004 0.877719 F\n0.685358 0.050004 0.122281 F\n0.854532 0.023900 0.845722 F\n0.561861 0.355204 0.340393 F\n0.964581 0.267682 0.005745 F\n0.438140 0.644796 0.659608 F\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Ga",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-Ga-H-N-O",
"density": 2.2721796807509005,
"density_atomic": 0.1196824120230143,
"volume": 417.77232890648344,
"volume_molar": 5.0317675406157205,
"formula_full": "Ga2 H24 N6 O6 F12",
"formula_reduced": "GaH12N3(OF2)3",
"formula_anonymous": "AB3C3D6E12",
"energy_above_hull": 2.6260529708,
"spacegroup": 2
},
{
"id": "jvasp-9864",
"created_at": "2022-09-04T14:37:07.795038Z",
"updated_at": "2022-09-04T14:37:07.795060Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n5.883901 0.003293 -0.002351\n-0.003565 5.883957 -0.021315\n-2.937508 -2.922888 5.545204\nMg Ag O\n2 4 8\ndirect\n0.124995 0.375018 0.250007 Mg\n0.875005 0.624977 0.749992 Mg\n0.500000 -0.000002 0.500001 Ag\n-0.000001 -0.000004 0.500000 Ag\n0.500000 0.000000 -0.000001 Ag\n0.499999 0.500003 -0.000000 Ag\n0.252446 0.734842 0.969696 O\n0.765125 0.782732 0.530271 O\n0.765167 0.247547 0.530318 O\n0.282754 0.265136 0.030290 O\n0.234832 0.752448 0.469681 O\n0.234875 0.217263 0.469727 O\n0.717246 0.734870 0.969709 O\n0.747555 0.265163 0.030304 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 5.2708132039766165,
"density_atomic": 0.0730797869072326,
"volume": 191.5714398260573,
"volume_molar": 8.240501258774191,
"formula_full": "Mg2 Ag4 O8",
"formula_reduced": "Mg(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2223539385714286,
"spacegroup": 141
},
{
"id": "jvasp-98639",
"created_at": "2022-09-04T14:35:47.269117Z",
"updated_at": "2022-09-04T14:35:47.269144Z",
"structure_string": "Li8 B8 H16 O8 F32\n1.0\n5.044995 0.000000 0.000000\n0.000000 10.128727 0.000000\n0.000000 0.000000 13.125799\nLi B H O F\n8 8 16 8 32\ndirect\n0.041266 0.750000 0.000000 Li\n0.458734 0.750000 0.500000 Li\n0.958735 0.250000 0.000000 Li\n0.541266 0.250000 0.500000 Li\n0.250000 0.864505 0.250000 Li\n0.250000 0.635496 0.750000 Li\n0.750001 0.135495 0.750000 Li\n0.750001 0.364505 0.250000 Li\n0.023666 0.124893 0.375338 B\n0.023666 0.375107 0.624662 B\n0.476334 0.124893 0.124662 B\n0.476334 0.375107 0.875338 B\n0.976335 0.875107 0.624662 B\n0.976335 0.624893 0.375338 B\n0.523667 0.875107 0.875338 B\n0.523667 0.624893 0.124662 B\n0.530362 0.032817 0.600003 H\n0.530362 0.467183 0.399997 H\n0.969639 0.032817 0.899997 H\n0.969639 0.467183 0.100003 H\n0.469639 0.967183 0.399997 H\n0.469639 0.532818 0.600003 H\n0.030361 0.967183 0.100003 H\n0.030361 0.532818 0.899997 H\n0.818287 0.874125 0.147223 H\n0.318287 0.374125 0.352777 H\n0.181714 0.125875 0.852777 H\n0.181714 0.374125 0.147223 H\n0.681714 0.874125 0.352777 H\n0.681714 0.625875 0.647223 H\n0.818287 0.625875 0.852777 H\n0.318287 0.125875 0.647223 H\n0.997387 0.123480 0.876001 O\n0.502614 0.123480 0.623999 O\n0.502614 0.376520 0.376001 O\n0.997387 0.376520 0.123999 O\n0.497387 0.876520 0.376001 O\n0.497387 0.623480 0.623999 O\n0.002614 0.876520 0.123999 O\n0.002614 0.623480 0.876001 O\n0.772848 0.873838 0.926088 F\n0.727154 0.626162 0.426088 F\n0.727154 0.873838 0.573912 F\n0.227153 0.373838 0.926088 F\n0.227153 0.126162 0.073912 F\n0.272847 0.373838 0.573912 F\n0.505051 0.738766 0.186812 F\n0.772848 0.626162 0.073912 F\n0.505051 0.761234 0.813188 F\n0.994950 0.738766 0.313188 F\n0.994950 0.761234 0.686812 F\n0.494950 0.261234 0.813188 F\n0.494950 0.238766 0.186812 F\n0.272847 0.126162 0.426088 F\n0.006302 0.010159 0.314545 F\n0.006302 0.489841 0.685455 F\n0.493698 0.010159 0.185455 F\n0.493698 0.489841 0.814545 F\n0.993699 0.989841 0.685455 F\n0.993699 0.510159 0.314545 F\n0.506303 0.989841 0.814545 F\n0.506303 0.510159 0.185455 F\n0.817647 0.124712 0.447977 F\n0.817647 0.375288 0.552023 F\n0.682354 0.124712 0.052023 F\n0.682354 0.375288 0.947977 F\n0.182354 0.875288 0.552023 F\n0.182354 0.624712 0.447977 F\n0.317647 0.875288 0.947977 F\n0.317647 0.624712 0.052023 F\n0.005051 0.261234 0.686812 F\n0.005051 0.238766 0.313188 F\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Li",
"B",
"H",
"O",
"F"
],
"chemical_system": "B-F-H-Li-O",
"density": 2.213541107190401,
"density_atomic": 0.10734730384274586,
"volume": 670.7201524639456,
"volume_molar": 5.609959956536863,
"formula_full": "Li8 B8 H16 O8 F32",
"formula_reduced": "LiBH2OF4",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.328285245925926,
"spacegroup": 52
},
{
"id": "jvasp-98638",
"created_at": "2022-09-04T14:35:42.192579Z",
"updated_at": "2022-09-04T14:35:42.192589Z",
"structure_string": "Al4 P8 H20 O36\n1.0\n7.249898 0.000000 -2.790608\n0.000000 9.133445 0.000000\n0.007526 0.000000 9.339998\nAl P H O\n4 8 20 36\ndirect\n0.129632 0.281921 0.936020 Al\n0.870369 0.781921 0.563980 Al\n0.870369 0.718078 0.063980 Al\n0.129631 0.218078 0.436020 Al\n0.378857 0.399913 0.267222 P\n0.621144 0.600087 0.732779 P\n0.378857 0.100087 0.767222 P\n0.621143 0.899912 0.232778 P\n0.134838 0.880732 0.366689 P\n0.134838 0.619267 0.866689 P\n0.865163 0.119268 0.633311 P\n0.865162 0.380732 0.133311 P\n0.552474 0.356392 0.069757 H\n0.626406 0.296159 0.423260 H\n0.373594 0.796159 0.076740 H\n0.373594 0.703840 0.576740 H\n0.626407 0.203840 0.923260 H\n0.235070 0.621344 0.242940 H\n0.764931 0.121344 0.257060 H\n0.764931 0.378656 0.757060 H\n0.447527 0.856392 0.430243 H\n0.235070 0.878655 0.742940 H\n0.552474 0.143607 0.569757 H\n0.447527 0.643607 0.930243 H\n0.118772 0.089541 0.138783 H\n0.881229 0.910459 0.861217 H\n0.118772 0.410459 0.638783 H\n0.881229 0.589541 0.361217 H\n0.741911 0.534096 0.436288 H\n0.741911 0.965903 0.936288 H\n0.258090 0.465903 0.563713 H\n0.258090 0.034096 0.063712 H\n0.654826 0.155856 0.529085 O\n0.341950 0.137755 0.598989 O\n0.118141 0.456975 0.820034 O\n0.881860 0.956975 0.679967 O\n0.881860 0.543024 0.179967 O\n0.118141 0.043024 0.320034 O\n0.345175 0.655856 0.970916 O\n0.647027 0.067581 0.207570 O\n0.654826 0.344144 0.029084 O\n0.352974 0.932418 0.792431 O\n0.647027 0.432418 0.707570 O\n0.352974 0.567581 0.292430 O\n0.594380 0.112997 0.856195 O\n0.405621 0.612996 0.643805 O\n0.658051 0.637755 0.901011 O\n0.345175 0.844144 0.470916 O\n0.658051 0.862244 0.401011 O\n0.846424 0.602061 0.453205 O\n0.281479 0.301764 0.343080 O\n0.153576 0.102062 0.046795 O\n0.405621 0.887003 0.143805 O\n0.846425 0.897938 0.953205 O\n0.153577 0.397938 0.546796 O\n0.969470 0.348002 0.028212 O\n0.030530 0.848001 0.471788 O\n0.030530 0.651998 0.971788 O\n0.969471 0.151998 0.528212 O\n0.914500 0.219344 0.773433 O\n0.085501 0.719344 0.726568 O\n0.085500 0.780655 0.226568 O\n0.914500 0.280655 0.273432 O\n0.281479 0.198236 0.843080 O\n0.718522 0.698236 0.656920 O\n0.718522 0.801763 0.156920 O\n0.341950 0.362244 0.098989 O\n0.594380 0.387003 0.356195 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-H-O-P",
"density": 2.554884132003556,
"density_atomic": 0.10991600513442178,
"volume": 618.6542161611442,
"volume_molar": 5.478857016896878,
"formula_full": "Al4 P8 H20 O36",
"formula_reduced": "AlP2H5O9",
"formula_anonymous": "AB2C5D9",
"energy_above_hull": 2.9973161941176474,
"spacegroup": 14
},
{
"id": "jvasp-98637",
"created_at": "2022-09-04T14:36:20.046298Z",
"updated_at": "2022-09-04T14:36:20.046318Z",
"structure_string": "K8 P8 H8 O28\n1.0\n11.259768 0.062741 1.105393\n1.098459 7.699045 0.331774\n0.015304 0.145022 8.283445\nK P H O\n8 8 8 28\ndirect\n0.930068 0.383603 0.710326 K\n0.069932 0.616396 0.289673 K\n0.049828 0.817139 0.756489 K\n0.950172 0.182860 0.243510 K\n0.560841 0.210516 0.570728 K\n0.439159 0.789483 0.429270 K\n0.566407 0.651252 0.815006 K\n0.433594 0.348747 0.184993 K\n0.700844 0.978752 0.207016 P\n0.299156 0.021247 0.792982 P\n0.715918 0.490058 0.377469 P\n0.284082 0.509941 0.622530 P\n0.780929 0.804964 0.517263 P\n0.187455 0.352379 0.940318 P\n0.219071 0.195035 0.482735 P\n0.812545 0.647620 0.059680 P\n0.460697 0.835814 0.103136 H\n0.349185 0.775437 0.038147 H\n0.650816 0.224562 0.961852 H\n0.539303 0.164185 0.896863 H\n0.838410 0.077589 0.908898 H\n0.194631 0.972227 0.259480 H\n0.805370 0.027772 0.740519 H\n0.161590 0.922410 0.091100 H\n0.070361 0.284579 0.967358 O\n0.132123 0.925016 0.207330 O\n0.867877 0.074983 0.792669 O\n0.756972 0.113032 0.100092 O\n0.243028 0.886967 0.899907 O\n0.575037 0.024979 0.282883 O\n0.424963 0.975020 0.717116 O\n0.596704 0.479005 0.319323 O\n0.403296 0.520994 0.680676 O\n0.775403 0.344423 0.480450 O\n0.224597 0.655577 0.519548 O\n0.929640 0.715420 0.032640 O\n0.769422 0.545343 0.937128 O\n0.691202 0.669916 0.479411 O\n0.903317 0.712636 0.544907 O\n0.096683 0.287363 0.455092 O\n0.709550 0.918747 0.642393 O\n0.290450 0.081252 0.357605 O\n0.795191 0.914830 0.342733 O\n0.204809 0.085169 0.657266 O\n0.701425 0.803986 0.108320 O\n0.298575 0.196013 0.891679 O\n0.817609 0.533493 0.234480 O\n0.182391 0.466506 0.765519 O\n0.579127 0.266409 0.902565 O\n0.308798 0.330083 0.520588 O\n0.230578 0.454656 0.062870 O\n0.420873 0.733590 0.097433 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.3543840368040594,
"density_atomic": 0.0725222930613069,
"volume": 717.0209021940559,
"volume_molar": 8.303847693989995,
"formula_full": "K8 P8 H8 O28",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.310743192307692,
"spacegroup": 2
}
]
}