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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=534",
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"results": [
{
"id": "jvasp-118008",
"created_at": "2022-09-04T14:38:47.218332Z",
"updated_at": "2022-09-04T14:38:47.218353Z",
"structure_string": "Cd1 O2\n1.0\n3.988290 -0.189518 0.165144\n1.210326 -3.283803 0.819231\n0.261893 1.051752 -3.307159\nCd O\n1 2\ndirect\n0.881652 0.569727 0.068659 Cd\n0.175090 0.732918 0.643944 O\n0.588204 0.406573 0.493366 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.08167206395774,
"density_atomic": 0.07608490262704458,
"volume": 39.429635793916916,
"volume_molar": 7.9150272288834,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.955238416666667,
"spacegroup": 12
},
{
"id": "jvasp-118939",
"created_at": "2022-09-04T14:38:47.255330Z",
"updated_at": "2022-09-04T14:38:47.255351Z",
"structure_string": "Li1 Au1 S2\n1.0\n3.756623 -1.784641 -0.153174\n3.756623 1.784641 -0.153174\n-2.834180 0.000000 5.861127\nLi Au S\n1 1 2\ndirect\n0.499999 0.499999 0.000001 Li\n0.500000 0.500000 0.500001 Au\n0.122304 0.122304 0.777708 S\n0.877695 0.877695 0.222294 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Au",
"S"
],
"chemical_system": "Au-Li-S",
"density": 5.777414765677749,
"density_atomic": 0.05192168409770548,
"volume": 77.03910359442227,
"volume_molar": 11.598508146745822,
"formula_full": "Li1 Au1 S2",
"formula_reduced": "LiAuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0781343925,
"spacegroup": 12
},
{
"id": "jvasp-117048",
"created_at": "2022-09-04T14:38:47.278946Z",
"updated_at": "2022-09-04T14:38:47.278963Z",
"structure_string": "Li6 Mn3 N6\n1.0\n6.352746 -0.004965 0.331126\n10.650784 4.673099 -0.000000\n0.008414 -0.019178 4.934984\nLi Mn N\n6 3 6\ndirect\n0.706855 0.961816 0.814702 Li\n0.706856 0.331327 0.814702 Li\n0.293146 0.038182 0.185298 Li\n0.293145 0.668672 0.185298 Li\n0.183016 0.908492 0.717048 Li\n0.816985 0.091507 0.282952 Li\n-0.000001 0.500000 0.000000 Mn\n-0.000000 0.404177 0.500000 Mn\n-0.000001 0.595823 0.500000 Mn\n0.597659 0.844944 0.793060 N\n0.597660 0.557394 0.793060 N\n0.402342 0.155055 0.206940 N\n0.402342 0.442605 0.206940 N\n0.534163 0.732918 0.336712 N\n0.465838 0.267081 0.663288 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.288586964253007,
"density_atomic": 0.1022597802188936,
"volume": 146.68523605166703,
"volume_molar": 5.889060926113103,
"formula_full": "Li6 Mn3 N6",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.2865727482758618,
"spacegroup": 12
},
{
"id": "jvasp-117788",
"created_at": "2022-09-04T14:38:47.333658Z",
"updated_at": "2022-09-04T14:38:47.333674Z",
"structure_string": "I1 Br1\n1.0\n5.579311 1.017085 -0.658518\n-3.966680 -4.089688 0.442259\n-0.195577 2.128315 -3.692257\nI Br\n1 1\ndirect\n0.064008 0.578831 0.502940 I\n0.059276 0.076422 -0.003790 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.898984409768416,
"density_atomic": 0.02853110775092172,
"volume": 70.09892561691329,
"volume_molar": 21.107279859491086,
"formula_full": "I1 Br1",
"formula_reduced": "IBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.056896,
"spacegroup": 12
},
{
"id": "jvasp-119277",
"created_at": "2022-09-04T14:38:48.685386Z",
"updated_at": "2022-09-04T14:38:48.685402Z",
"structure_string": "Li8 Fe4 O12\n1.0\n4.896672 -0.069112 0.865263\n-2.404183 8.129993 0.171452\n-0.039525 -0.121182 4.892809\nLi Fe O\n8 4 12\ndirect\n0.000001 0.500001 0.000003 Li\n0.999999 -0.000001 0.499997 Li\n0.500001 0.750001 0.750000 Li\n0.500000 0.249999 0.250000 Li\n0.000069 0.169504 0.008435 Li\n0.000075 0.669505 0.508437 Li\n-0.000071 0.830497 0.991562 Li\n-0.000070 0.330494 0.491564 Li\n0.500010 0.583416 0.250276 Fe\n0.499991 0.916583 0.249722 Fe\n0.500010 0.083419 0.750276 Fe\n0.499992 0.416582 0.749724 Fe\n0.723566 0.466611 0.390884 O\n0.727894 0.609791 0.890354 O\n0.727892 0.109790 0.390354 O\n0.272109 0.390210 0.109645 O\n0.272107 0.890209 0.609645 O\n0.723617 0.287952 0.854780 O\n0.723618 0.787952 0.354781 O\n0.276436 0.533390 0.609116 O\n0.276434 0.033389 0.109116 O\n0.276383 0.712048 0.145218 O\n0.276384 0.212049 0.645219 O\n0.723566 0.966610 0.890883 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.01820445790464,
"density_atomic": 0.12332886853277099,
"volume": 194.6016393852078,
"volume_molar": 4.8829936021020055,
"formula_full": "Li8 Fe4 O12",
"formula_reduced": "Li2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.902226,
"spacegroup": 12
},
{
"id": "jvasp-118751",
"created_at": "2022-09-04T14:38:47.290352Z",
"updated_at": "2022-09-04T14:38:47.290371Z",
"structure_string": "Mo2 Br2\n1.0\n4.595087 -0.390095 0.096238\n-1.709396 -3.138946 0.012800\n-0.443052 3.233339 -7.222891\nMo Br\n2 2\ndirect\n0.877457 -0.037729 0.844405 Mo\n0.533235 0.284844 0.844240 Mo\n0.051760 0.815824 0.537695 Br\n0.358949 0.431350 0.150960 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 5.400143485672216,
"density_atomic": 0.036987812158678704,
"volume": 108.14373077379902,
"volume_molar": 16.281419225784035,
"formula_full": "Mo2 Br2",
"formula_reduced": "MoBr",
"formula_anonymous": "AB",
"energy_above_hull": 2.0129900025,
"spacegroup": 12
},
{
"id": "jvasp-113156",
"created_at": "2022-09-04T14:38:47.322444Z",
"updated_at": "2022-09-04T14:38:47.322469Z",
"structure_string": "Ca2 Fe3 O8\n1.0\n4.704397 -0.015391 -1.451760\n-0.847202 5.046059 -2.798721\n-0.019032 0.059975 6.190390\nCa Fe O\n2 3 8\ndirect\n0.669647 0.724541 0.449083 Ca\n0.330354 0.275460 0.550918 Ca\n0.500000 0.000000 -0.000000 Fe\n0.000002 0.743653 0.000003 Fe\n-0.000002 0.256347 0.999997 Fe\n0.036170 0.397797 0.795588 O\n0.963831 0.602204 0.204413 O\n0.100424 0.903356 0.806708 O\n0.899577 0.096645 0.193293 O\n0.389713 0.320846 0.199201 O\n0.389718 0.878359 0.199206 O\n0.610283 0.121641 0.800794 O\n0.610288 0.679154 0.800800 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.226739659565298,
"density_atomic": 0.0880794331890418,
"volume": 147.59404697914616,
"volume_molar": 6.837170201895931,
"formula_full": "Ca2 Fe3 O8",
"formula_reduced": "Ca2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5546296415384613,
"spacegroup": 12
},
{
"id": "jvasp-113221",
"created_at": "2022-09-04T14:38:47.389357Z",
"updated_at": "2022-09-04T14:38:47.389381Z",
"structure_string": "Li4 Fe4 F12\n1.0\n6.291371 -0.194317 0.507391\n0.981359 6.217398 0.507391\n0.197574 0.163626 5.702810\nLi Fe F\n4 4 12\ndirect\n0.651879 0.651880 0.856688 Li\n0.679207 0.320793 0.500000 Li\n0.320793 0.679207 0.500000 Li\n0.348120 0.348121 0.143312 Li\n0.765395 0.765395 0.247878 Fe\n0.844623 0.155376 -0.000000 Fe\n0.155377 0.844623 -0.000000 Fe\n0.234604 0.234605 0.752122 Fe\n0.713127 0.066057 0.335688 F\n0.066057 0.713128 0.335688 F\n0.224424 0.536700 0.879633 F\n0.536699 0.224425 0.879633 F\n0.775575 0.463300 0.120367 F\n0.627748 0.627749 0.553912 F\n0.286872 0.933944 0.664312 F\n0.933943 0.286873 0.664312 F\n0.372251 0.372252 0.446088 F\n0.851271 0.851272 0.871842 F\n0.463301 0.775575 0.120367 F\n0.148728 0.148728 0.128158 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5665420082933883,
"density_atomic": 0.08965604070764988,
"volume": 223.07476263887153,
"volume_molar": 6.716938103074368,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2978512695,
"spacegroup": 12
},
{
"id": "jvasp-115853",
"created_at": "2022-09-04T14:38:47.699467Z",
"updated_at": "2022-09-04T14:38:47.699491Z",
"structure_string": "Cd1 P2\n1.0\n4.297456 -0.042242 0.033225\n1.602577 -5.559379 -0.316428\n-1.262443 1.776233 -2.516488\nCd P\n1 2\ndirect\n0.066151 0.210930 0.095899 Cd\n0.603723 0.862013 0.018504 P\n0.528625 0.559881 0.178059 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 4.6539542278285335,
"density_atomic": 0.04822265092172837,
"volume": 62.211428502124235,
"volume_molar": 12.488199310682269,
"formula_full": "Cd1 P2",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4773408333333335,
"spacegroup": 12
},
{
"id": "jvasp-119361",
"created_at": "2022-09-04T14:38:50.765613Z",
"updated_at": "2022-09-04T14:38:50.765640Z",
"structure_string": "Mn9 Cd1 O10\n1.0\n8.326968 -0.015726 0.898087\n-6.732119 4.900736 0.898087\n-0.007796 -0.023878 5.443738\nMn Cd O\n9 1 10\ndirect\n0.298386 0.701614 0.500001 Mn\n0.601717 0.398283 0.000001 Mn\n0.101865 0.898135 0.500001 Mn\n0.398283 0.601717 0.000001 Mn\n0.202136 0.797864 0.000000 Mn\n0.701613 0.298386 0.500001 Mn\n0.898134 0.101864 0.500001 Mn\n0.797864 0.202136 0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500001 Cd\n0.346970 0.135782 0.758051 O\n0.548277 0.947481 0.748518 O\n0.947480 0.548276 0.748518 O\n0.135782 0.346970 0.758051 O\n0.451723 0.052519 0.251484 O\n0.237302 0.237303 0.236745 O\n0.762697 0.762697 0.763257 O\n0.864217 0.653029 0.241950 O\n0.052519 0.451723 0.251484 O\n0.653030 0.864217 0.241950 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"O"
],
"chemical_system": "Cd-Mn-O",
"density": 5.737740670867791,
"density_atomic": 0.09011827320791053,
"volume": 221.9305728801338,
"volume_molar": 6.682485744158023,
"formula_full": "Mn9 Cd1 O10",
"formula_reduced": "Mn9CdO10",
"formula_anonymous": "AB9C10",
"energy_above_hull": 3.75033349612069,
"spacegroup": 12
},
{
"id": "jvasp-117026",
"created_at": "2022-09-04T14:38:47.785042Z",
"updated_at": "2022-09-04T14:38:47.785057Z",
"structure_string": "Dy2 Ga3 Fe14 C2\n1.0\n6.389223 0.013853 0.737914\n0.751448 6.344895 0.737914\n0.013885 0.012365 6.468169\nDy Ga Fe C\n2 3 14 2\ndirect\n0.348536 0.348535 0.336644 Dy\n0.651464 0.651463 0.663355 Dy\n0.000000 -0.000000 0.500000 Ga\n0.000000 0.500000 -0.000000 Ga\n0.500000 -0.000000 -0.000000 Ga\n0.296846 0.703153 -0.000001 Fe\n0.997752 0.283850 0.716870 Fe\n0.716149 0.002248 0.283129 Fe\n0.002249 0.716148 0.283129 Fe\n0.283852 0.997750 0.716870 Fe\n0.703154 0.296845 -0.000001 Fe\n0.846642 0.350540 0.346560 Fe\n0.347509 0.347507 0.845755 Fe\n0.153359 0.649458 0.653440 Fe\n0.649460 0.153357 0.653440 Fe\n0.652492 0.652491 0.154244 Fe\n0.908734 0.908731 0.905178 Fe\n0.091267 0.091267 0.094821 Fe\n0.350541 0.846641 0.346559 Fe\n0.500000 -0.000001 0.500000 C\n0.000001 0.499999 0.500000 C\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Dy",
"Ga",
"Fe",
"C"
],
"chemical_system": "C-Dy-Fe-Ga",
"density": 8.492018420802815,
"density_atomic": 0.08014376019719315,
"volume": 262.0291330021158,
"volume_molar": 7.5141729626643,
"formula_full": "Dy2 Ga3 Fe14 C2",
"formula_reduced": "Dy2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
"energy_above_hull": 3.7118769988095233,
"spacegroup": 12
},
{
"id": "jvasp-119330",
"created_at": "2022-09-04T14:38:47.964984Z",
"updated_at": "2022-09-04T14:38:47.965008Z",
"structure_string": "Li2 Ti4 V1 O8\n1.0\n5.105781 -0.001087 2.947798\n1.783838 4.784027 2.947798\n0.019382 0.013456 5.871954\nLi Ti V O\n2 4 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n-0.000000 0.500001 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 V\n0.251899 0.746876 0.752642 O\n0.740195 0.740196 0.745348 O\n0.249807 0.249808 0.757655 O\n0.746875 0.251900 0.752642 O\n0.253125 0.748101 0.247358 O\n0.750193 0.750193 0.242345 O\n0.259804 0.259805 0.254652 O\n0.748100 0.253125 0.247358 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.461284953132835,
"density_atomic": 0.10486891414998392,
"volume": 143.03571388702417,
"volume_molar": 5.742541351564976,
"formula_full": "Li2 Ti4 V1 O8",
"formula_reduced": "Li2Ti4VO8",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.152535035555556,
"spacegroup": 12
}
]
}