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=-nelements&page=713",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=711",
"results": [
{
"id": "jvasp-33679",
"created_at": "2022-09-04T14:38:06.942185Z",
"updated_at": "2022-09-04T14:38:06.942207Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n2.435276 4.541183 -0.034427\n-2.435276 4.541183 0.034427\n-1.276408 0.000000 9.488000\nB Cl O F\n2 2 4 8\ndirect\n0.409510 0.450495 0.515608 B\n0.549504 0.590489 0.015608 B\n0.885495 0.672329 0.751278 Cl\n0.327671 0.114504 0.251278 Cl\n0.132769 0.361127 0.809580 O\n0.857591 0.922949 0.818091 O\n0.638873 0.867230 0.309580 O\n0.077051 0.142408 0.318091 O\n0.142826 0.715368 0.564121 F\n0.498311 0.642148 0.863122 F\n0.284631 0.857173 0.064121 F\n0.357852 0.501688 0.363122 F\n0.425660 0.176610 0.560793 F\n0.680982 0.431907 0.562838 F\n0.823389 0.574339 0.060793 F\n0.568093 0.319017 0.062838 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"B",
"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4458351749057092,
"density_atomic": 0.07638794880173169,
"volume": 209.45712315863736,
"volume_molar": 7.883626742787312,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0825843476041666,
"spacegroup": 9
},
{
"id": "jvasp-109797",
"created_at": "2022-09-04T14:38:20.317005Z",
"updated_at": "2022-09-04T14:38:20.317040Z",
"structure_string": "Al1 Ga1 Cu2 Se4\n1.0\n5.153792 0.001181 -4.543013\n-1.050131 5.045671 -4.543013\n-0.000961 -0.001181 6.870265\nAl Ga Cu Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.623588 0.628066 0.498921 Se\n0.129146 0.124669 0.501081 Se\n0.875331 0.376411 0.004477 Se\n0.371934 0.870854 0.995525 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Ga-Se",
"density": 5.017009152947821,
"density_atomic": 0.044790347817565176,
"volume": 178.60991016601764,
"volume_molar": 13.445175251883915,
"formula_full": "Al1 Ga1 Cu2 Se4",
"formula_reduced": "AlGa(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.7947411864583334,
"spacegroup": 82
},
{
"id": "jvasp-109859",
"created_at": "2022-09-04T14:38:18.208318Z",
"updated_at": "2022-09-04T14:38:18.208338Z",
"structure_string": "K2 Ga1 Au1 F6\n1.0\n5.306576 -0.000000 3.063753\n1.768859 5.003088 3.063753\n-0.000000 -0.000000 6.127506\nK Ga Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Au\n0.220914 0.220914 0.779086 F\n0.220915 0.779086 0.779085 F\n0.779086 0.779086 0.220913 F\n0.220915 0.779086 0.220914 F\n0.779086 0.220914 0.779085 F\n0.779086 0.220914 0.220914 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Au",
"F"
],
"chemical_system": "Au-F-Ga-K",
"density": 4.6839119516143235,
"density_atomic": 0.0614700723792898,
"volume": 162.68079104083097,
"volume_molar": 9.796866225960311,
"formula_full": "K2 Ga1 Au1 F6",
"formula_reduced": "K2GaAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-45891",
"created_at": "2022-09-04T14:38:07.882152Z",
"updated_at": "2022-09-04T14:38:07.882177Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.003691 0.012395 0.013947\n-0.047986 5.313935 -0.003771\n0.007367 -0.064235 6.377099\nLi Fe Si O\n3 2 2 8\ndirect\n0.501893 0.176681 0.002317 Li\n0.005479 0.821332 0.501477 Li\n0.998777 0.342552 0.754176 Li\n0.005985 0.829645 0.017207 Fe\n0.501497 0.167351 0.500351 Fe\n0.009980 0.325715 0.252745 Si\n0.503419 0.678181 0.754769 Si\n0.894396 0.185685 0.035140 O\n0.333787 0.279253 0.253255 O\n0.934405 0.624263 0.254129 O\n0.891549 0.188932 0.469407 O\n0.394199 0.827575 0.547872 O\n0.836149 0.684905 0.761863 O\n0.400654 0.379838 0.746472 O\n0.385758 0.827647 0.961501 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.101226140982602,
"density_atomic": 0.08846185835401979,
"volume": 169.56460421587317,
"volume_molar": 6.807612763344519,
"formula_full": "Li3 Fe2 Si2 O8",
"formula_reduced": "Li3Fe2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.7067370800000004,
"spacegroup": 1
},
{
"id": "jvasp-106347",
"created_at": "2022-09-04T14:38:18.202531Z",
"updated_at": "2022-09-04T14:38:18.202555Z",
"structure_string": "Na1 La1 Ru2 O6\n1.0\n4.794105 0.000000 2.767878\n1.598035 4.519926 2.767878\n0.000000 0.000000 5.535756\nNa La Ru O\n1 1 2 6\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ru\n0.750001 0.750001 0.750000 Ru\n0.500001 0.500000 -0.000000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"La",
"Ru",
"O"
],
"chemical_system": "La-Na-O-Ru",
"density": 6.368263040821268,
"density_atomic": 0.08336508441420964,
"volume": 119.95429585740925,
"volume_molar": 7.223816544200034,
"formula_full": "Na1 La1 Ru2 O6",
"formula_reduced": "NaLa(RuO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.7687716,
"spacegroup": 225
},
{
"id": "jvasp-108923",
"created_at": "2022-09-04T14:38:20.102447Z",
"updated_at": "2022-09-04T14:38:20.102467Z",
"structure_string": "Sr1 La1 Al1 O4\n1.0\n3.638187 0.009920 -5.775431\n-0.294905 3.626228 -5.775431\n-0.009121 -0.009920 6.825828\nSr La Al O\n1 1 1 4\ndirect\n0.642528 0.642528 0.000000 Sr\n0.358018 0.358018 0.000000 La\n0.005552 0.005552 0.000000 Al\n0.838868 0.838868 0.000000 O\n0.163368 0.163368 0.000000 O\n0.995834 0.495834 0.500001 O\n0.495833 0.995834 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"La",
"Al",
"O"
],
"chemical_system": "Al-La-O-Sr",
"density": 5.8805373231642575,
"density_atomic": 0.07807570595917589,
"volume": 89.6565700431854,
"volume_molar": 7.713206926555168,
"formula_full": "Sr1 La1 Al1 O4",
"formula_reduced": "SrLaAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5654054442857144,
"spacegroup": 107
},
{
"id": "jvasp-109481",
"created_at": "2022-09-04T14:38:19.412995Z",
"updated_at": "2022-09-04T14:38:19.413019Z",
"structure_string": "Rb2 In1 Ag1 Cl6\n1.0\n6.375164 -0.000000 3.680703\n2.125055 6.010562 3.680703\n-0.000000 -0.000000 7.361405\nRb In Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 Ag\n0.755992 0.244007 0.244007 Cl\n0.244007 0.244007 0.755993 Cl\n0.244007 0.755993 0.755993 Cl\n0.244007 0.755993 0.244007 Cl\n0.755992 0.244007 0.755993 Cl\n0.755992 0.755993 0.244007 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-In-Rb",
"density": 3.569423010804019,
"density_atomic": 0.0354513555113374,
"volume": 282.07666126622394,
"volume_molar": 16.9870535925604,
"formula_full": "Rb2 In1 Ag1 Cl6",
"formula_reduced": "Rb2InAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-46716",
"created_at": "2022-09-04T14:38:18.197426Z",
"updated_at": "2022-09-04T14:38:18.197446Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.989451930365447,
"density_atomic": 0.07629346920902949,
"volume": 170.39466332802996,
"volume_molar": 7.893389594724664,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091887960212202,
"spacegroup": 5
},
{
"id": "jvasp-48224",
"created_at": "2022-09-04T14:38:07.901895Z",
"updated_at": "2022-09-04T14:38:07.901926Z",
"structure_string": "Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 -0.017600 O\n0.257804 0.892515 0.397370 O\n0.784199 0.108712 0.590002 O\n0.263433 0.099151 0.054410 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.916103933695558,
"density_atomic": 0.09606577306146331,
"volume": 208.19069438189928,
"volume_molar": 6.268768332449693,
"formula_full": "Li2 Fe2 C4 O12",
"formula_reduced": "LiFe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.52489065,
"spacegroup": 4
},
{
"id": "jvasp-97811",
"created_at": "2022-09-04T14:38:18.147648Z",
"updated_at": "2022-09-04T14:38:18.147668Z",
"structure_string": "V8 Cd4 P8 O36\n1.0\n6.363770 0.000000 0.000000\n-0.000000 7.273818 0.000000\n0.000000 0.000000 14.408958\nV Cd P O\n8 4 8 36\ndirect\n0.000000 0.500000 0.500000 V\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.845899 0.619572 V\n0.250000 0.654101 0.119572 V\n0.749999 0.345899 0.880429 V\n0.500001 0.000000 0.000000 V\n0.749999 0.154101 0.380429 V\n0.250000 0.129999 0.220849 Cd\n0.749999 0.870001 0.779151 Cd\n0.749999 0.629998 0.279151 Cd\n0.250000 0.370001 0.720849 Cd\n0.749999 0.634458 0.067963 P\n0.749999 0.865541 0.567963 P\n0.250000 0.134458 0.432037 P\n0.250000 0.365541 0.932037 P\n0.250000 0.883182 0.807501 P\n0.749999 0.116817 0.192499 P\n0.749999 0.383183 0.692499 P\n0.250000 0.616817 0.307501 P\n0.749999 0.491713 0.992720 O\n0.749999 0.957754 0.264916 O\n0.250000 0.508286 0.007280 O\n0.250000 0.991714 0.507280 O\n0.749999 0.008286 0.492720 O\n0.749999 0.542245 0.764916 O\n0.250000 0.457755 0.235084 O\n0.250000 0.042245 0.735084 O\n0.048649 0.612852 0.369164 O\n0.059414 0.123840 0.365523 O\n0.548648 0.387147 0.630836 O\n0.951350 0.112853 0.130836 O\n0.451351 0.887147 0.869164 O\n0.951350 0.387147 0.630836 O\n0.451351 0.612852 0.369164 O\n0.048649 0.887147 0.869164 O\n0.548648 0.112853 0.130836 O\n0.250000 0.328668 0.478337 O\n0.749999 0.671333 0.521663 O\n0.749999 0.828667 0.021663 O\n0.250000 0.171332 0.978337 O\n0.440586 0.376161 0.865523 O\n0.749999 0.131738 0.946768 O\n0.250000 0.631738 0.553232 O\n0.749999 0.368262 0.446768 O\n0.749999 0.208430 0.754835 O\n0.250000 0.791571 0.245165 O\n0.250000 0.708430 0.745165 O\n0.749999 0.291570 0.254835 O\n0.440586 0.123840 0.365523 O\n0.940585 0.876161 0.634478 O\n0.559415 0.623840 0.134477 O\n0.059414 0.376161 0.865523 O\n0.559415 0.876161 0.634478 O\n0.250000 0.868263 0.053232 O\n0.940585 0.623840 0.134477 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"V",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P-V",
"density": 4.184976178570542,
"density_atomic": 0.08396118246757724,
"volume": 666.9748847525482,
"volume_molar": 7.172529713151112,
"formula_full": "V8 Cd4 P8 O36",
"formula_reduced": "V2CdP2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.881858617857143,
"spacegroup": 62
},
{
"id": "jvasp-109855",
"created_at": "2022-09-04T14:38:19.399525Z",
"updated_at": "2022-09-04T14:38:19.399544Z",
"structure_string": "K2 Ag1 Pd1 F6\n1.0\n5.291097 -0.000000 3.054816\n1.763699 4.988494 3.054816\n-0.000000 -0.000000 6.109632\nK Ag Pd F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.759889 0.240111 0.240112 F\n0.240112 0.240111 0.759888 F\n0.240112 0.759888 0.759889 F\n0.240112 0.759888 0.240112 F\n0.759889 0.240111 0.759889 F\n0.759889 0.759888 0.240112 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Pd",
"F"
],
"chemical_system": "Ag-F-K-Pd",
"density": 4.185553924605765,
"density_atomic": 0.062011147815765784,
"volume": 161.26132723280423,
"volume_molar": 9.711384117403686,
"formula_full": "K2 Ag1 Pd1 F6",
"formula_reduced": "K2AgPdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109231",
"created_at": "2022-09-04T14:38:20.135762Z",
"updated_at": "2022-09-04T14:38:20.135788Z",
"structure_string": "Na2 Ga1 Ag1 Br6\n1.0\n6.516091 -0.000000 3.762067\n2.172030 6.143430 3.762067\n-0.000000 -0.000000 7.524134\nNa Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.758977 0.241023 0.241023 Br\n0.241023 0.241023 0.758977 Br\n0.241023 0.758977 0.758977 Br\n0.241023 0.758977 0.241023 Br\n0.758977 0.241023 0.758977 Br\n0.758977 0.758977 0.241024 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ga",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Ga-Na",
"density": 3.875668254679964,
"density_atomic": 0.03320056110892213,
"volume": 301.19972873930305,
"volume_molar": 18.138671633419005,
"formula_full": "Na2 Ga1 Ag1 Br6",
"formula_reduced": "Na2GaAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}