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=-elements&page=58",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=56",
"results": [
{
"id": "jvasp-116862",
"created_at": "2022-09-04T14:38:49.924648Z",
"updated_at": "2022-09-04T14:38:49.924658Z",
"structure_string": "Li4 Co1 Cu3 P4 O16\n1.0\n6.006822 -0.000000 0.000000\n0.000000 4.711337 0.076051\n-0.000000 0.027930 10.012451\nLi Co Cu P O\n4 1 3 4 16\ndirect\n0.250102 0.004757 0.004038 Li\n0.749897 0.004757 0.004038 Li\n0.749337 0.493767 0.496320 Li\n0.250662 0.493767 0.496320 Li\n-0.000000 0.021522 0.718463 Co\n0.500000 0.972292 0.282892 Cu\n0.500000 0.548433 0.783848 Cu\n-0.000000 0.464891 0.218246 Cu\n0.500000 0.072826 0.596964 P\n0.500000 0.427186 0.093399 P\n-0.000000 0.582937 0.905289 P\n-0.000000 0.915516 0.405273 P\n0.709834 0.201988 0.666851 O\n-0.000000 0.242324 0.403042 O\n-0.000000 0.258368 0.902247 O\n0.294853 0.284461 0.163751 O\n0.705146 0.284461 0.163751 O\n0.500000 0.310433 0.947916 O\n-0.000000 0.703568 0.048723 O\n0.206176 0.780406 0.335676 O\n0.201157 0.729217 0.830942 O\n0.500000 0.752769 0.094678 O\n0.500000 0.745650 0.599586 O\n0.793824 0.780406 0.335676 O\n0.290166 0.201988 0.666851 O\n-0.000000 0.788542 0.551050 O\n0.798842 0.729217 0.830942 O\n0.500000 0.203563 0.453226 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-Li-O-P",
"density": 3.8516827894670698,
"density_atomic": 0.09882077395636021,
"volume": 283.34123361920797,
"volume_molar": 6.094002828453267,
"formula_full": "Li4 Co1 Cu3 P4 O16",
"formula_reduced": "Li4CoCu3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.4636353660714283,
"spacegroup": 6
},
{
"id": "jvasp-117096",
"created_at": "2022-09-04T14:38:50.404173Z",
"updated_at": "2022-09-04T14:38:50.404209Z",
"structure_string": "Li5 Co2 Cu2 P4 O16\n1.0\n4.750243 0.038932 0.237008\n0.130634 6.098937 0.254181\n-0.039186 0.035005 10.209116\nLi Co Cu P O\n5 2 2 4 16\ndirect\n0.001687 0.500839 0.001051 Li\n0.100648 0.971589 0.128473 Li\n0.501359 0.000973 0.500765 Li\n0.501386 0.500912 0.501098 Li\n0.902545 0.030228 0.873716 Li\n0.539059 0.727737 0.218542 Co\n0.464038 0.274045 0.783542 Co\n0.058866 0.273440 0.296213 Cu\n0.943947 0.728415 0.705929 Cu\n0.411857 0.757986 0.906808 P\n0.919854 0.247578 0.600175 P\n0.591287 0.243831 0.095288 P\n0.083096 0.754252 0.401933 P\n0.196230 0.774689 0.540855 O\n0.294055 0.981531 0.849205 O\n0.281976 0.567548 0.833080 O\n0.759563 0.452826 0.658982 O\n0.795510 0.056483 0.690416 O\n0.242032 0.259260 0.600562 O\n0.806603 0.227028 0.461279 O\n0.266727 0.254760 0.103456 O\n0.207651 0.945449 0.311815 O\n0.243380 0.549059 0.343066 O\n0.721181 0.434248 0.169044 O\n0.709100 0.020281 0.152894 O\n0.736421 0.747060 0.898642 O\n0.292778 0.731905 0.051869 O\n0.760919 0.742618 0.401464 O\n0.710387 0.269950 0.950238 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-Li-O-P",
"density": 3.7033269363586783,
"density_atomic": 0.09806047552524069,
"volume": 295.73586957097126,
"volume_molar": 6.141251842542723,
"formula_full": "Li5 Co2 Cu2 P4 O16",
"formula_reduced": "Li5Co2Cu2(PO4)4",
"formula_anonymous": "A2B2C4D5E16",
"energy_above_hull": 2.575305886206897,
"spacegroup": 2
},
{
"id": "jvasp-59276",
"created_at": "2022-09-04T14:38:08.886513Z",
"updated_at": "2022-09-04T14:38:08.886543Z",
"structure_string": "Li2 Ca2 Ta4 O12 F2\n1.0\n7.369841 0.038108 0.013081\n3.717923 6.439632 0.000000\n3.706601 2.153081 5.995125\nLi Ca Ta O F\n2 2 4 12 2\ndirect\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n-0.000000 0.500000 0.000000 Ta\n0.677933 0.065998 0.074828 O\n0.074828 0.681239 0.677934 O\n0.074828 0.065998 0.677934 O\n0.324969 0.925030 0.324970 O\n0.677933 0.681239 0.074828 O\n0.675030 0.074970 0.675031 O\n0.925172 0.318760 0.322066 O\n0.322066 0.934001 0.925173 O\n0.925171 0.934002 0.322066 O\n0.934586 0.315413 0.934587 O\n0.065413 0.684586 0.065414 O\n0.322066 0.318759 0.925173 O\n0.632614 0.617385 0.632615 F\n0.367385 0.382614 0.367386 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Ta",
"O",
"F"
],
"chemical_system": "Ca-F-Li-O-Ta",
"density": 6.138104748218685,
"density_atomic": 0.07761069226992987,
"volume": 283.46609670074884,
"volume_molar": 7.759421522816733,
"formula_full": "Li2 Ca2 Ta4 O12 F2",
"formula_reduced": "LiCaTa2O6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 2.7906309184090903,
"spacegroup": 74
},
{
"id": "jvasp-59282",
"created_at": "2022-09-04T14:38:08.963815Z",
"updated_at": "2022-09-04T14:38:08.963829Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n0.000000 5.529126 0.005841\n5.728677 0.000000 0.000000\n0.000000 -5.446725 -7.837636\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.500260 0.264049 0.001530 Li\n0.500260 0.735952 0.501531 Li\n0.263462 0.694887 0.750452 Ca\n0.263462 0.305113 0.250452 Ca\n0.734139 0.192072 0.748039 Pr\n0.734139 0.807928 0.248039 Pr\n0.999382 0.743671 0.999236 Te\n0.999382 0.256329 0.499235 Te\n0.669040 0.064827 0.454239 O\n0.330148 0.555434 0.044923 O\n0.763469 0.535858 0.450694 O\n0.149099 0.284410 0.739547 O\n0.854505 0.224320 0.260097 O\n0.763469 0.464142 0.950694 O\n0.669040 0.935174 0.954239 O\n0.330147 0.444567 0.544923 O\n0.236499 0.027832 0.051247 O\n0.149100 0.715591 0.239547 O\n0.236499 0.972169 0.551247 O\n0.854505 0.775680 0.760097 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Pr",
"Te",
"O"
],
"chemical_system": "Ca-Li-O-Pr-Te",
"density": 5.509298423793157,
"density_atomic": 0.08062190102934466,
"volume": 248.0715505916987,
"volume_molar": 7.469608981073354,
"formula_full": "Li2 Ca2 Pr2 Te2 O12",
"formula_reduced": "LiCaPrTeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.8250459036666664,
"spacegroup": 7
},
{
"id": "jvasp-35174",
"created_at": "2022-09-04T14:37:29.538253Z",
"updated_at": "2022-09-04T14:37:29.538260Z",
"structure_string": "Li2 Ca2 Mg2 Si2 N6\n1.0\n-5.533322 0.000000 0.676214\n-2.766661 -4.938711 0.338107\n0.014741 0.000000 6.008632\nLi Ca Mg Si N\n2 2 2 2 6\ndirect\n0.680378 0.000000 0.091204 Li\n0.319622 0.000000 0.908795 Li\n0.319664 0.360672 0.500000 Ca\n0.680335 0.639328 0.500000 Ca\n0.235530 0.528941 0.000000 Mg\n0.764470 0.471059 -0.000000 Mg\n0.130207 0.000000 0.320670 Si\n0.869792 0.000000 0.679329 Si\n0.807340 0.000000 0.389109 N\n0.192659 0.000000 0.610890 N\n0.607915 0.290725 0.810574 N\n0.898640 0.709275 0.810574 N\n0.392085 0.709275 0.189425 N\n0.101359 0.290725 0.189425 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Mg",
"Si",
"N"
],
"chemical_system": "Ca-Li-Mg-N-Si",
"density": 2.859657727526712,
"density_atomic": 0.08523592625997121,
"volume": 164.2499895795082,
"volume_molar": 7.065261121973797,
"formula_full": "Li2 Ca2 Mg2 Si2 N6",
"formula_reduced": "LiCaMgSiN3",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 2.7637654028571426,
"spacegroup": 12
},
{
"id": "jvasp-35164",
"created_at": "2022-09-04T14:37:30.115888Z",
"updated_at": "2022-09-04T14:37:30.115925Z",
"structure_string": "Li4 Ca2 Mg1 Si2 N6\n1.0\n-0.022028 0.000000 -5.621906\n-2.930408 -4.903149 0.241172\n-2.930408 4.903149 0.241172\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.625653 0.988358 0.332416 Li\n0.625653 0.332416 0.988358 Li\n0.374349 0.011643 0.667585 Li\n0.374349 0.667585 0.011643 Li\n0.000000 0.322235 0.677765 Ca\n0.000000 0.677765 0.322235 Ca\n0.000000 0.000000 0.000000 Mg\n0.367998 0.319813 0.319813 Si\n0.632003 0.680188 0.680188 Si\n0.311345 0.623190 0.623190 N\n0.688656 0.376811 0.376811 N\n0.253009 0.031066 0.320787 N\n0.253009 0.320787 0.031066 N\n0.746992 0.968935 0.679214 N\n0.746992 0.679214 0.968935 N\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Mg",
"Si",
"N"
],
"chemical_system": "Ca-Li-Mg-N-Si",
"density": 2.799349534155022,
"density_atomic": 0.0928184852285476,
"volume": 161.6057400965486,
"volume_molar": 6.488083429902612,
"formula_full": "Li4 Ca2 Mg1 Si2 N6",
"formula_reduced": "Li4Ca2Mg(SiN3)2",
"formula_anonymous": "AB2C2D4E6",
"energy_above_hull": 3.091970439333333,
"spacegroup": 12
},
{
"id": "jvasp-45075",
"created_at": "2022-09-04T14:38:02.167326Z",
"updated_at": "2022-09-04T14:38:02.167341Z",
"structure_string": "Li6 Be2 P2 C2 O14\n1.0\n0.000000 4.703187 0.007407\n6.855676 0.000000 0.000000\n0.000000 -0.030831 -8.064378\nLi Be P C O\n6 2 2 2 14\ndirect\n0.057482 0.527023 0.038490 Li\n0.396319 0.238601 0.808006 Li\n0.441648 0.401721 0.443123 Li\n0.558353 0.901722 0.556877 Li\n0.603682 0.738601 0.191994 Li\n0.942519 0.027022 0.961509 Li\n0.046868 0.689302 0.712505 Be\n0.953133 0.189302 0.287495 Be\n0.049664 0.768670 0.360011 P\n0.950336 0.268670 0.639989 P\n0.543616 0.713980 0.870169 C\n0.456385 0.213979 0.129831 C\n0.937279 0.600898 0.253639 O\n0.931831 0.954602 0.270127 O\n0.609053 0.261817 0.257271 O\n0.374589 0.766007 0.376240 O\n0.922770 0.766497 0.538770 O\n0.077231 0.266497 0.461230 O\n0.430072 0.638413 0.998653 O\n0.390948 0.761817 0.742729 O\n0.068170 0.454602 0.729873 O\n0.062722 0.100898 0.746361 O\n0.820475 0.747076 0.870925 O\n0.179526 0.247075 0.129075 O\n0.625412 0.266007 0.623760 O\n0.569928 0.138413 0.001347 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Be",
"P",
"C",
"O"
],
"chemical_system": "Be-C-Li-O-P",
"density": 2.3605138908790892,
"density_atomic": 0.09999137841661208,
"volume": 260.0224180495994,
"volume_molar": 6.022660008654817,
"formula_full": "Li6 Be2 P2 C2 O14",
"formula_reduced": "Li3BePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.639553546153846,
"spacegroup": 4
},
{
"id": "jvasp-91487",
"created_at": "2022-09-04T14:36:05.496143Z",
"updated_at": "2022-09-04T14:36:05.496162Z",
"structure_string": "Li8 Be6 As6 Cl2 O24\n1.0\n8.279692 -0.000000 0.000000\n-0.000000 8.279692 -0.000000\n-0.000000 -0.000000 8.279692\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.830509 0.830509 0.169491 Li\n0.330509 0.330509 0.669491 Li\n0.169491 0.169491 0.169491 Li\n0.669491 0.669491 0.669491 Li\n0.830509 0.169491 0.830509 Li\n0.330509 0.669491 0.330509 Li\n0.169491 0.830509 0.830509 Li\n0.669491 0.330509 0.330509 Li\n0.750000 0.000000 0.500000 Be\n0.000000 0.500000 0.750000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.750000 As\n0.750000 0.500000 0.000000 As\n0.000000 0.750000 0.500000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.250000 0.500000 As\n0.500000 0.000000 0.250000 As\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.097607 0.634068 0.358555 O\n0.597607 0.141445 0.865932 O\n0.634068 0.641445 0.902393 O\n0.641445 0.902393 0.634068 O\n0.858555 0.134068 0.597607 O\n0.634068 0.358555 0.097607 O\n0.641445 0.097607 0.365932 O\n0.402393 0.858555 0.865932 O\n0.902393 0.634068 0.641445 O\n0.402393 0.141445 0.134068 O\n0.365932 0.358555 0.902393 O\n0.097607 0.365932 0.641445 O\n0.902393 0.365932 0.358555 O\n0.858555 0.865932 0.402393 O\n0.358555 0.097607 0.634068 O\n0.865932 0.402393 0.858555 O\n0.865932 0.597607 0.141445 O\n0.358555 0.902393 0.365932 O\n0.141445 0.134068 0.402393 O\n0.134068 0.402393 0.141445 O\n0.597607 0.858555 0.134068 O\n0.365932 0.641445 0.097607 O\n0.134068 0.597607 0.858555 O\n0.141445 0.865932 0.597607 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Be",
"As",
"Cl",
"O"
],
"chemical_system": "As-Be-Cl-Li-O",
"density": 2.966566275520509,
"density_atomic": 0.08104295855030896,
"volume": 567.6002063947927,
"volume_molar": 7.430800735466291,
"formula_full": "Li8 Be6 As6 Cl2 O24",
"formula_reduced": "Li4Be3As3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.359265200760869,
"spacegroup": 218
},
{
"id": "jvasp-63672",
"created_at": "2022-09-04T14:36:00.205730Z",
"updated_at": "2022-09-04T14:36:00.205758Z",
"structure_string": "Li8 Be6 As6 Cl2 O24\n1.0\n8.280110 0.000000 -0.000000\n0.000000 8.280110 0.000000\n0.000000 0.000000 8.280110\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.169530 0.169530 0.169530 Li\n0.830470 0.830470 0.169530 Li\n0.830470 0.169530 0.830470 Li\n0.169530 0.830470 0.830470 Li\n0.669530 0.669530 0.669530 Li\n0.330470 0.330470 0.669530 Li\n0.669530 0.330470 0.330470 Li\n0.330470 0.669530 0.330470 Li\n0.000000 0.500000 0.750000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.000000 0.250000 As\n0.500000 0.000000 0.750000 As\n0.000000 0.750000 0.500000 As\n0.000000 0.250000 0.500000 As\n0.750000 0.500000 0.000000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.641448 0.097586 0.365924 O\n0.641448 0.902414 0.634076 O\n0.634076 0.358552 0.097586 O\n0.365924 0.358552 0.902414 O\n0.365924 0.641448 0.097586 O\n0.634076 0.641448 0.902414 O\n0.097586 0.634076 0.358552 O\n0.902414 0.365924 0.358552 O\n0.097586 0.365924 0.641448 O\n0.902414 0.634076 0.641448 O\n0.597586 0.858552 0.134076 O\n0.134076 0.402414 0.141448 O\n0.597586 0.141448 0.865924 O\n0.402414 0.141448 0.134076 O\n0.858552 0.134076 0.597586 O\n0.858552 0.865924 0.402414 O\n0.141448 0.865924 0.597586 O\n0.141448 0.134076 0.402414 O\n0.134076 0.597586 0.858552 O\n0.865924 0.402414 0.858552 O\n0.865924 0.597586 0.141448 O\n0.358552 0.902414 0.365924 O\n0.402414 0.858552 0.865924 O\n0.358552 0.097586 0.634076 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Be",
"As",
"Cl",
"O"
],
"chemical_system": "As-Be-Cl-Li-O",
"density": 2.966117019856718,
"density_atomic": 0.08103068543561757,
"volume": 567.6861765725654,
"volume_molar": 7.431926223535224,
"formula_full": "Li8 Be6 As6 Cl2 O24",
"formula_reduced": "Li4Be3As3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.359265635543478,
"spacegroup": 218
},
{
"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-52911",
"created_at": "2022-09-04T14:37:00.310560Z",
"updated_at": "2022-09-04T14:37:00.310585Z",
"structure_string": "Li2 As2 H4 O2 F12\n1.0\n-3.718174 5.299984 3.059206\n3.718174 -5.299984 3.059206\n3.718174 5.299984 -3.059206\nLi As H O F\n2 2 4 2 12\ndirect\n-0.000001 -0.000001 0.500000 Li\n0.000001 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.194521 0.518596 0.675924 H\n0.805479 0.481404 0.324075 H\n0.657329 0.481404 0.175925 H\n0.342671 0.518596 0.824074 H\n0.171772 0.421771 0.749999 O\n0.828229 0.578229 0.250000 O\n0.084872 0.136543 0.285851 F\n0.915128 0.200980 0.051671 F\n0.350693 0.799021 0.214148 F\n0.649308 0.863457 0.448328 F\n0.915128 0.863457 0.714148 F\n0.243068 0.715622 0.527445 F\n0.688178 0.715622 0.972554 F\n0.311823 0.284378 0.027446 F\n0.756932 0.284378 0.472554 F\n0.350692 0.136543 0.551671 F\n0.084872 0.799020 0.948328 F\n0.649307 0.200979 0.785851 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"As",
"H",
"O",
"F"
],
"chemical_system": "As-F-H-Li-O",
"density": 2.945455914693974,
"density_atomic": 0.09123252586969033,
"volume": 241.1420684704394,
"volume_molar": 6.600870361302472,
"formula_full": "Li2 As2 H4 O2 F12",
"formula_reduced": "LiAsH2OF6",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 0.8786424495454546,
"spacegroup": 74
},
{
"id": "jvasp-52817",
"created_at": "2022-09-04T14:36:12.927248Z",
"updated_at": "2022-09-04T14:36:12.927271Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Li-N-O-Si",
"density": 3.061523048029216,
"density_atomic": 0.09400842318179208,
"volume": 308.48299565582795,
"volume_molar": 6.405958696227119,
"formula_full": "Li1 Al3 Si9 N14 O2",
"formula_reduced": "LiAl3Si9(N7O)2",
"formula_anonymous": "AB2C3D9E14",
"energy_above_hull": 4.866287527586207,
"spacegroup": 1
}
]
}