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=451",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=449",
"results": [
{
"id": "jvasp-43184",
"created_at": "2022-09-04T14:36:58.531698Z",
"updated_at": "2022-09-04T14:36:58.531726Z",
"structure_string": "Li6 Fe2 O2 F6\n1.0\n-2.922712 0.011436 -0.007288\n1.427157 4.905855 -0.033081\n-0.039383 -1.850009 -9.911652\nLi Fe O F\n6 2 2 6\ndirect\n0.756327 0.507918 0.131914 Li\n0.498201 0.001483 0.249991 Li\n0.498132 0.001386 0.749966 Li\n0.989026 -0.002302 0.496339 Li\n0.240043 0.495010 0.368078 Li\n0.007330 0.005157 0.003631 Li\n0.718534 0.487463 0.646454 Fe\n0.277815 0.515354 0.853522 Fe\n0.904770 0.776689 0.821003 O\n0.091553 0.226121 0.678971 O\n0.871493 0.749139 0.311387 F\n0.610945 0.244330 0.428161 F\n0.633930 0.268349 0.951498 F\n0.124931 0.253809 0.188610 F\n0.385463 0.758602 0.071829 F\n0.362437 0.734529 0.548495 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.4886027057218305,
"density_atomic": 0.11229982752797828,
"volume": 142.47573083773236,
"volume_molar": 5.362555662429357,
"formula_full": "Li6 Fe2 O2 F6",
"formula_reduced": "Li3FeOF3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 0.7718524809375,
"spacegroup": 2
},
{
"id": "jvasp-44740",
"created_at": "2022-09-04T14:38:10.525073Z",
"updated_at": "2022-09-04T14:38:10.525088Z",
"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.172132058221911,
"density_atomic": 0.1019365584734009,
"volume": 88.29020848637381,
"volume_molar": 5.907734035940996,
"formula_full": "Li3 Fe1 O1 F4",
"formula_reduced": "Li3FeOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.67477557,
"spacegroup": 8
},
{
"id": "jvasp-44787",
"created_at": "2022-09-04T14:38:11.286512Z",
"updated_at": "2022-09-04T14:38:11.286528Z",
"structure_string": "Li1 Fe3 O2 F6\n1.0\n-4.913011 0.524666 -0.055888\n0.463589 4.351086 -0.693555\n-0.028788 -0.891450 -5.573652\nLi Fe O F\n1 3 2 6\ndirect\n-0.227652 0.999023 0.656767 Li\n0.272344 0.499082 0.920585 Fe\n0.772326 0.499044 0.156803 Fe\n0.272286 0.499006 0.393038 Fe\n0.444762 0.288305 0.156700 O\n0.099888 0.709786 0.156921 O\n0.947376 0.258216 0.917203 F\n0.947337 0.258170 0.396135 F\n0.433017 0.272942 0.656682 F\n0.597302 0.739943 -0.082507 F\n0.111584 0.725121 0.656941 F\n0.597270 0.739832 0.396432 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.306516232455239,
"density_atomic": 0.09711299220842019,
"volume": 123.5674004797016,
"volume_molar": 6.201168991967121,
"formula_full": "Li1 Fe3 O2 F6",
"formula_reduced": "LiFe3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3511537662499995,
"spacegroup": 10
},
{
"id": "jvasp-44773",
"created_at": "2022-09-04T14:38:11.830620Z",
"updated_at": "2022-09-04T14:38:11.830653Z",
"structure_string": "Li6 Fe4 O2 F10\n1.0\n5.088848 0.041801 -0.015513\n-1.633570 4.819771 -0.013455\n-1.701794 -2.396033 8.880943\nLi Fe O F\n6 4 2 10\ndirect\n0.791564 0.541550 0.083336 Li\n0.876908 0.126993 0.253693 Li\n0.541750 0.791497 0.583334 Li\n0.468273 0.218339 0.436935 Li\n0.114998 0.864945 0.729722 Li\n0.206587 0.456493 0.912970 Li\n0.291571 0.041522 0.083330 Fe\n0.041576 0.291715 0.583331 Fe\n0.364718 0.614853 0.229430 Fe\n0.718773 0.968606 0.937240 Fe\n0.544534 0.788895 0.083297 O\n0.038965 0.294527 0.083368 O\n0.118492 0.887752 0.254083 F\n0.800696 0.532595 0.583311 F\n0.635498 0.366361 0.253918 F\n0.676794 0.965778 0.418766 F\n0.367566 0.656444 0.747882 F\n0.241845 0.453020 0.418758 F\n0.282496 0.050849 0.583356 F\n0.445726 0.214812 0.912703 F\n0.880356 0.091417 0.747924 F\n0.966992 0.697698 0.912640 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.708276487197029,
"density_atomic": 0.10088087802759951,
"volume": 218.07899009345584,
"volume_molar": 5.969556250642895,
"formula_full": "Li6 Fe4 O2 F10",
"formula_reduced": "Li3Fe2OF5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.9534569011363634,
"spacegroup": 22
},
{
"id": "jvasp-42542",
"created_at": "2022-09-04T14:38:11.837587Z",
"updated_at": "2022-09-04T14:38:11.837604Z",
"structure_string": "Li1 Fe3 O3 F4\n1.0\n4.030445 2.326979 2.100034\n-4.030445 2.326979 2.100034\n-0.000000 -4.653958 2.100034\nLi Fe O F\n1 3 3 4\ndirect\n0.926377 0.926377 0.926377 Li\n0.172638 0.529746 0.529746 Fe\n0.529745 0.529745 0.172638 Fe\n0.529746 0.172638 0.529746 Fe\n0.397955 0.767810 0.397955 O\n0.397955 0.397955 0.767810 O\n0.767810 0.397955 0.397955 O\n0.203320 0.828649 0.828649 F\n0.230078 0.230078 0.230078 F\n0.828649 0.828649 0.203320 F\n0.828649 0.203320 0.828649 F\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.19395301700024,
"density_atomic": 0.09308284434120824,
"volume": 118.17430030047164,
"volume_molar": 6.469657005672277,
"formula_full": "Li1 Fe3 O3 F4",
"formula_reduced": "LiFe3O3F4",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.7823125572727272,
"spacegroup": 160
},
{
"id": "jvasp-120752",
"created_at": "2022-09-04T14:38:54.403483Z",
"updated_at": "2022-09-04T14:38:54.403510Z",
"structure_string": "Li16 Fe2 O10 F2\n1.0\n5.544615 0.000000 0.000000\n-2.772308 4.801777 0.000000\n-0.000000 -0.000000 10.827450\nLi Fe O F\n16 2 10 2\ndirect\n0.972850 0.686265 0.776083 Li\n0.713414 0.027149 0.776083 Li\n0.666666 0.333334 0.430298 Li\n0.666666 0.333334 0.918347 Li\n0.388580 0.016335 0.623076 Li\n0.686264 0.713415 0.276083 Li\n0.286585 0.972852 0.276083 Li\n0.627754 0.611420 0.623076 Li\n0.611419 0.983665 0.123076 Li\n0.313735 0.286586 0.776083 Li\n0.333333 0.666667 0.930299 Li\n0.333333 0.666667 0.418347 Li\n0.027149 0.313735 0.276083 Li\n0.983664 0.372245 0.623076 Li\n0.016335 0.627755 0.123076 Li\n0.372245 0.388581 0.123076 Li\n0.000000 0.000000 0.493780 Fe\n0.000000 0.000000 0.993780 Fe\n0.673405 0.998671 0.949777 O\n0.666666 0.333334 0.713694 O\n0.674734 0.673406 0.449777 O\n0.326594 0.001329 0.449777 O\n0.325265 0.326595 0.949777 O\n0.998670 0.325265 0.449777 O\n0.000000 0.000000 0.175900 O\n0.333333 0.666667 0.213694 O\n0.001329 0.674735 0.949777 O\n0.000000 0.000000 0.675900 O\n0.333333 0.666667 0.706878 F\n0.666666 0.333334 0.206878 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.4235949232597354,
"density_atomic": 0.10406907279887072,
"volume": 288.2700805644685,
"volume_molar": 5.786676673519231,
"formula_full": "Li16 Fe2 O10 F2",
"formula_reduced": "Li8FeO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.5877835521666666,
"spacegroup": 173
},
{
"id": "jvasp-119725",
"created_at": "2022-09-04T14:38:50.465405Z",
"updated_at": "2022-09-04T14:38:50.465431Z",
"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6683123358993717,
"density_atomic": 0.1105875271654498,
"volume": 126.59655531545276,
"volume_molar": 5.445587684577019,
"formula_full": "Li7 Fe1 O5 F1",
"formula_reduced": "Li7FeO5F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 1.63263094875,
"spacegroup": 1
},
{
"id": "jvasp-42547",
"created_at": "2022-09-04T14:36:10.365500Z",
"updated_at": "2022-09-04T14:36:10.365530Z",
"structure_string": "Li2 Fe5 O5 F7\n1.0\n5.776555 0.028227 0.053096\n-0.936005 5.911708 0.027370\n-0.989841 -1.181900 5.668269\nLi Fe O F\n2 5 5 7\ndirect\n0.863377 0.674621 0.403599 Li\n0.318819 0.600829 0.123344 Li\n0.652755 0.396337 0.841045 Fe\n0.147017 0.352294 0.593149 Fe\n0.629330 0.153261 0.342587 Fe\n0.988569 0.008454 0.025999 Fe\n0.407473 0.887750 0.703770 Fe\n0.841393 0.416923 0.605536 O\n0.393525 0.589845 0.780371 O\n0.961678 0.115266 0.342325 O\n0.399824 0.182551 0.574427 O\n0.681792 0.071716 0.913239 O\n0.132699 0.278896 0.904254 F\n0.159707 0.537453 0.360558 F\n0.566894 0.414246 0.181383 F\n0.064459 0.862759 0.695015 F\n0.596737 0.829466 0.442580 F\n0.873945 0.681800 0.047806 F\n0.319994 0.945543 0.119023 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.325809470791523,
"density_atomic": 0.09780064355995771,
"volume": 194.27275024373282,
"volume_molar": 6.157567620000438,
"formula_full": "Li2 Fe5 O5 F7",
"formula_reduced": "Li2Fe5O5F7",
"formula_anonymous": "A2B5C5D7",
"energy_above_hull": 1.8609819461842108,
"spacegroup": 1
},
{
"id": "jvasp-42757",
"created_at": "2022-09-04T14:35:59.799098Z",
"updated_at": "2022-09-04T14:35:59.799121Z",
"structure_string": "Li5 Fe7 O3 F13\n1.0\n6.055639 0.115214 0.018189\n-2.926141 5.237106 -0.003743\n-2.979342 -1.790494 9.711324\nLi Fe O F\n5 7 3 13\ndirect\n0.474777 0.731807 0.258415 Li\n0.870398 0.179251 0.566153 Li\n0.095355 0.806726 0.436507 Li\n0.030174 0.768166 0.745514 Li\n0.123759 0.319442 0.930186 Li\n0.932414 0.697367 0.075173 Fe\n0.515439 0.020403 0.013363 Fe\n0.958704 0.247887 0.245402 Fe\n0.512934 0.240885 0.241746 Fe\n0.482627 0.491867 0.521723 Fe\n0.491277 0.281994 0.732806 Fe\n0.487649 0.711007 0.731259 Fe\n0.229603 0.368375 0.621029 O\n0.299059 0.893566 0.133325 O\n0.742522 0.379154 0.121583 O\n0.732487 0.093068 0.374156 F\n0.750427 0.871082 0.133263 F\n0.235248 0.610601 0.372216 F\n0.237850 0.367972 0.133575 F\n0.238533 0.134578 0.368526 F\n0.700459 0.592207 0.375056 F\n0.770132 0.868799 0.631448 F\n0.786811 0.647641 0.866934 F\n0.772481 0.397811 0.632824 F\n0.264968 0.126136 0.868896 F\n0.265244 0.887102 0.630387 F\n0.722699 0.111057 0.865720 F\n0.275981 0.654061 0.872816 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.84012898993408,
"density_atomic": 0.08985909297378779,
"volume": 311.59896092171437,
"volume_molar": 6.701760011929656,
"formula_full": "Li5 Fe7 O3 F13",
"formula_reduced": "Li5Fe7O3F13",
"formula_anonymous": "A3B5C7D13",
"energy_above_hull": 1.426704381160714,
"spacegroup": 1
},
{
"id": "jvasp-42642",
"created_at": "2022-09-04T14:36:00.562702Z",
"updated_at": "2022-09-04T14:36:00.562726Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n4.734953 4.304569 0.120532\n-4.734953 4.304569 -0.120532\n-0.881063 0.000000 4.915511\nLi Fe O F\n4 4 4 8\ndirect\n0.226510 0.598540 0.691456 Li\n0.401460 0.773490 0.191457 Li\n0.598540 0.226510 0.808543 Li\n0.773490 0.401460 0.308543 Li\n0.070828 0.070827 0.750000 Fe\n0.752268 0.752268 0.750000 Fe\n0.247732 0.247732 0.250000 Fe\n0.929173 0.929172 0.250000 Fe\n0.984457 0.190780 0.385182 O\n0.809221 0.015543 0.885181 O\n0.190780 0.984457 0.114818 O\n0.015543 0.809220 0.614818 O\n0.472370 0.715804 0.864590 F\n0.128010 0.350865 0.893176 F\n0.284196 0.527630 0.364590 F\n0.649135 0.871991 0.393176 F\n0.350866 0.128009 0.606823 F\n0.715804 0.472369 0.635410 F\n0.871991 0.649135 0.106823 F\n0.527631 0.284196 0.135410 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.853582742578108,
"density_atomic": 0.09935939056779114,
"volume": 201.289479391023,
"volume_molar": 6.060967891999299,
"formula_full": "Li4 Fe4 O4 F8",
"formula_reduced": "LiFeOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8888999129999998,
"spacegroup": 15
},
{
"id": "jvasp-42298",
"created_at": "2022-09-04T14:35:53.604527Z",
"updated_at": "2022-09-04T14:35:53.604556Z",
"structure_string": "Li6 Fe1 O3 F3\n1.0\n4.092048 2.362545 2.480597\n-4.092048 2.362545 2.480597\n0.000000 -4.725090 2.480597\nLi Fe O F\n6 1 3 3\ndirect\n0.999430 0.661452 0.358420 Li\n0.999430 0.358421 0.661451 Li\n0.358421 0.661452 0.999429 Li\n0.661452 0.358421 0.999429 Li\n0.358421 0.999430 0.661451 Li\n0.661452 0.999430 0.358420 Li\n0.928498 0.928498 0.928496 Fe\n0.105761 0.729286 0.729285 O\n0.729286 0.729286 0.105760 O\n0.729286 0.105761 0.729285 O\n0.288452 0.891675 0.288451 F\n0.288452 0.288452 0.891674 F\n0.891675 0.288452 0.288451 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.3367508766308642,
"density_atomic": 0.09034727934176609,
"volume": 143.8892249408368,
"volume_molar": 6.665547434161708,
"formula_full": "Li6 Fe1 O3 F3",
"formula_reduced": "Li6Fe(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 1.1784043728846156,
"spacegroup": 160
},
{
"id": "jvasp-117433",
"created_at": "2022-09-04T14:38:49.880863Z",
"updated_at": "2022-09-04T14:38:49.880885Z",
"structure_string": "Li3 Fe2 Ni1 O6\n1.0\n6.295700 -0.011370 1.453403\n5.664729 2.747146 1.453403\n-0.017642 -0.004035 5.728151\nLi Fe Ni O\n3 2 1 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.165086 0.165086 0.157890 Li\n0.834915 0.834914 0.842109 Li\n0.169824 0.169822 0.661794 Fe\n0.830177 0.830178 0.338205 Fe\n0.499999 0.500001 -0.000000 Ni\n0.669956 0.669955 0.889378 O\n0.328252 0.328251 0.571363 O\n0.330044 0.330045 0.110621 O\n0.986372 0.986374 0.244638 O\n0.013629 0.013626 0.755361 O\n0.671748 0.671748 0.428636 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.792457436362719,
"density_atomic": 0.12058734780326123,
"volume": 99.51292750528066,
"volume_molar": 4.994007140637298,
"formula_full": "Li3 Fe2 Ni1 O6",
"formula_reduced": "Li3Fe2NiO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.344200366666666,
"spacegroup": 12
}
]
}