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=658",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=656",
"results": [
{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"As",
"O"
],
"chemical_system": "As-Ba-Mn-O",
"density": 5.746658322751521,
"density_atomic": 0.04401568277640424,
"volume": 159.03422504109224,
"volume_molar": 13.681806983642488,
"formula_full": "Ba2 Mn2 As2 O1",
"formula_reduced": "Ba2Mn2As2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.289596203251232,
"spacegroup": 12
},
{
"id": "jvasp-58166",
"created_at": "2022-09-04T14:37:05.838004Z",
"updated_at": "2022-09-04T14:37:05.838024Z",
"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Ir",
"O"
],
"chemical_system": "Ir-O-Ti-Zn",
"density": 7.455560216247226,
"density_atomic": 0.09616317614798586,
"volume": 207.979819314848,
"volume_molar": 6.262418735766906,
"formula_full": "Ti2 Zn4 Ir2 O12",
"formula_reduced": "TiZn2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.190034123333333,
"spacegroup": 14
},
{
"id": "jvasp-104108",
"created_at": "2022-09-04T14:36:45.211648Z",
"updated_at": "2022-09-04T14:36:45.211670Z",
"structure_string": "H6 C4 N2 O2\n1.0\n3.649728 0.000000 -1.207453\n0.000000 6.906169 0.000000\n-0.169025 0.000000 4.477735\nH C N O\n6 4 2 2\ndirect\n0.293989 0.842976 0.774293 H\n0.706010 0.342976 0.225709 H\n0.865891 0.041770 0.156676 H\n0.134109 0.541770 0.843326 H\n0.355833 0.034293 0.304952 H\n0.644166 0.534293 0.695050 H\n0.109418 0.037678 0.375325 C\n0.890581 0.537678 0.624676 C\n0.137593 0.216457 0.581030 C\n0.862406 0.716457 0.418972 C\n0.095244 0.862716 0.553086 N\n0.904755 0.362716 0.446916 N\n0.373557 0.222110 0.856652 O\n0.626442 0.722110 0.143349 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6999902815298984,
"density_atomic": 0.1256115816194976,
"volume": 111.45469087722165,
"volume_molar": 4.794255977320834,
"formula_full": "H6 C4 N2 O2",
"formula_reduced": "H3C2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 4.402273821428571,
"spacegroup": 4
},
{
"id": "jvasp-106898",
"created_at": "2022-09-04T14:36:51.876954Z",
"updated_at": "2022-09-04T14:36:51.876974Z",
"structure_string": "Na2 Ga1 Hg1 Br6\n1.0\n6.664411 -0.000000 3.847699\n2.221470 6.283267 3.847699\n-0.000000 -0.000000 7.695399\nNa Ga Hg 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 Hg\n0.761100 0.238900 0.238900 Br\n0.238900 0.238900 0.761100 Br\n0.238900 0.761101 0.761100 Br\n0.238900 0.761101 0.238900 Br\n0.761100 0.238900 0.761100 Br\n0.761100 0.761101 0.238900 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ga",
"Hg",
"Br"
],
"chemical_system": "Br-Ga-Hg-Na",
"density": 4.100426694326925,
"density_atomic": 0.031032843407426253,
"volume": 322.2392440393319,
"volume_molar": 19.405700860008476,
"formula_full": "Na2 Ga1 Hg1 Br6",
"formula_reduced": "Na2GaHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47556",
"created_at": "2022-09-04T14:37:03.007395Z",
"updated_at": "2022-09-04T14:37:03.007420Z",
"structure_string": "Li4 Ti4 Co2 O12\n1.0\n5.161769 -0.045473 0.000000\n2.528481 4.394316 -0.000000\n0.000000 -0.000000 10.277608\nLi Ti Co O\n4 4 2 12\ndirect\n0.500000 0.169323 0.750000 Li\n0.500000 0.330678 0.250000 Li\n0.499999 0.669324 0.750000 Li\n0.499999 0.830678 0.250000 Li\n0.323729 0.338136 0.000000 Ti\n0.323729 0.838136 0.500000 Ti\n0.676270 0.161865 0.500000 Ti\n0.676270 0.661866 0.000000 Ti\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.632275 0.363145 0.890286 O\n0.632275 0.004580 0.109714 O\n0.367724 0.636856 0.109714 O\n0.367724 0.495421 0.609714 O\n0.367725 0.136856 0.390286 O\n-0.000000 0.158628 0.598746 O\n0.367724 0.995422 0.890286 O\n-0.000000 0.658628 0.901255 O\n-0.000000 0.341373 0.098745 O\n0.632275 0.504580 0.390286 O\n-0.000001 0.841373 0.401255 O\n0.632274 0.863146 0.609714 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 3.749745954119515,
"density_atomic": 0.09389552584886962,
"volume": 234.3029638644369,
"volume_molar": 6.413661040349239,
"formula_full": "Li4 Ti4 Co2 O12",
"formula_reduced": "Li2Ti2CoO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.7214462333333334,
"spacegroup": 64
},
{
"id": "jvasp-101820",
"created_at": "2022-09-04T14:36:45.835402Z",
"updated_at": "2022-09-04T14:36:45.835424Z",
"structure_string": "H4 C6 S2 O4\n1.0\n4.695187 -0.018421 1.222502\n0.708646 5.986678 1.607195\n-0.076656 -0.049045 6.382055\nH C S O\n4 6 2 4\ndirect\n0.609174 0.417149 0.654112 H\n0.533826 0.325544 0.944046 H\n0.609708 0.916157 0.153087 H\n0.533926 0.826190 0.443205 H\n0.079994 0.264833 0.783174 C\n0.597357 0.267716 0.788002 C\n0.376072 0.131241 0.773298 C\n0.080055 0.764325 0.283329 C\n0.597515 0.767352 0.287717 C\n0.376039 0.630644 0.273780 C\n0.026132 0.525718 0.804509 S\n0.026346 0.025400 0.303992 S\n0.421868 0.935571 0.761450 O\n0.421665 0.434778 0.262619 O\n0.879394 0.642070 0.276908 O\n0.879416 0.142659 0.776472 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.880197481370098,
"density_atomic": 0.08870916866454491,
"volume": 180.36467076480275,
"volume_molar": 6.788633971729369,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.3293096250000005,
"spacegroup": 1
},
{
"id": "jvasp-8106",
"created_at": "2022-09-04T14:37:00.640170Z",
"updated_at": "2022-09-04T14:37:00.640186Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n3.723113 -0.000000 -0.000000\n-1.861557 5.567577 0.000000\n0.000000 -0.000000 5.878988\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.859496 0.718996 0.250000 C\n0.140502 0.281004 0.750000 C\n0.246952 0.493905 0.750000 N\n0.753047 0.506095 0.250000 N\n0.358324 0.716650 0.750000 O\n0.641675 0.283350 0.250000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 4.08471953081722,
"density_atomic": 0.06564701201108386,
"volume": 121.86388618341498,
"volume_molar": 9.173518451964302,
"formula_full": "Ag2 C2 N2 O2",
"formula_reduced": "AgCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.4162785025,
"spacegroup": 63
},
{
"id": "jvasp-51753",
"created_at": "2022-09-04T14:37:00.058693Z",
"updated_at": "2022-09-04T14:37:00.058721Z",
"structure_string": "Al4 Ge2 H4 O12\n1.0\n2.496927 4.245657 -0.977912\n-2.496927 4.245657 0.977912\n0.021409 0.000000 9.470470\nAl Ge H O\n4 2 4 12\ndirect\n0.469793 0.297909 0.914227 Al\n0.297909 0.469792 0.585773 Al\n0.530208 0.702091 0.085773 Al\n0.702092 0.530208 0.414227 Al\n0.027447 0.027446 0.750000 Ge\n0.972554 0.972554 0.250000 Ge\n0.920328 0.387266 0.947703 H\n0.387266 0.920328 0.552297 H\n0.079673 0.612735 0.052297 H\n0.612735 0.079672 0.447703 H\n0.484660 0.713078 0.541098 O\n0.713079 0.484660 0.958903 O\n0.356722 0.836549 0.237776 O\n0.836549 0.356722 0.262224 O\n0.643279 0.163452 0.762224 O\n0.069441 0.246557 0.588866 O\n0.753443 0.930560 0.088866 O\n0.930560 0.753443 0.411134 O\n0.246558 0.069441 0.911134 O\n0.286922 0.515341 0.041097 O\n0.163452 0.643279 0.737776 O\n0.515341 0.286922 0.458903 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Al",
"Ge",
"H",
"O"
],
"chemical_system": "Al-Ge-H-O",
"density": 3.7117774095192897,
"density_atomic": 0.10946771827141032,
"volume": 200.9724907707859,
"volume_molar": 5.501293765043061,
"formula_full": "Al4 Ge2 H4 O12",
"formula_reduced": "Al2Ge(HO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.4095993227272725,
"spacegroup": 15
},
{
"id": "jvasp-103822",
"created_at": "2022-09-04T14:36:51.910646Z",
"updated_at": "2022-09-04T14:36:51.910660Z",
"structure_string": "H6 C12 S2 O1\n1.0\n3.713485 0.020907 0.633659\n1.662439 6.003296 0.417887\n-0.094408 -0.084663 10.377345\nH C S O\n6 12 2 1\ndirect\n0.905085 0.855465 0.802186 H\n0.632589 0.737841 0.156351 H\n0.496091 0.799645 0.407333 H\n0.123427 0.122139 0.596054 H\n0.244417 0.137774 0.821809 H\n0.773816 0.841897 0.577033 H\n0.874941 0.687212 0.630654 C\n0.951642 0.695786 0.755901 C\n0.232165 0.353372 0.062940 C\n0.946104 0.480695 0.568769 C\n0.091926 0.498506 0.826099 C\n0.075520 0.283807 0.640768 C\n0.186128 0.530106 0.955911 C\n0.042569 0.422331 0.190479 C\n0.909813 0.481110 0.431268 C\n0.696930 0.653471 0.361399 C\n0.769097 0.620466 0.226511 C\n0.141955 0.291770 0.768255 C\n0.573000 0.121624 0.032045 S\n0.192006 0.271549 0.328167 S\n0.250811 0.706728 0.979834 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6528021063977416,
"density_atomic": 0.09075840573649456,
"volume": 231.38352673327933,
"volume_molar": 6.635353178728719,
"formula_full": "H6 C12 S2 O1",
"formula_reduced": "H6C12S2O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.677163976190476,
"spacegroup": 1
},
{
"id": "jvasp-47654",
"created_at": "2022-09-04T14:36:59.613091Z",
"updated_at": "2022-09-04T14:36:59.613116Z",
"structure_string": "Li8 Fe2 Si4 O14\n1.0\n0.000000 5.403579 0.000000\n-6.641914 2.701790 0.063587\n-0.581060 0.000000 7.989488\nLi Fe Si O\n8 2 4 14\ndirect\n0.737189 0.847558 0.876214 Li\n0.415253 0.847558 0.376214 Li\n0.881736 0.585394 0.592850 Li\n0.532871 0.585394 0.092850 Li\n0.126305 0.445188 0.945810 Li\n0.428507 0.445188 0.445810 Li\n0.186858 0.994315 0.023287 Li\n0.818827 0.994315 0.523287 Li\n0.688317 0.299933 0.797369 Fe\n0.011751 0.299933 0.297369 Fe\n0.258155 0.148576 0.669961 Si\n0.593270 0.148576 0.169961 Si\n0.306765 0.726626 0.738622 Si\n0.966610 0.726626 0.238622 Si\n0.578965 0.088738 0.707528 O\n0.214034 0.943384 0.602301 O\n0.842583 0.943384 0.102301 O\n0.427129 0.781420 0.905535 O\n0.791453 0.781420 0.405535 O\n0.045557 0.670887 0.772129 O\n0.283556 0.670887 0.272129 O\n0.539651 0.550033 0.640628 O\n0.910318 0.550033 0.140628 O\n0.148263 0.330690 0.519455 O\n0.521049 0.330690 0.019455 O\n0.080482 0.218234 0.837997 O\n0.701284 0.218234 0.337997 O\n0.332298 0.088738 0.207528 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.9181113973689947,
"density_atomic": 0.09771625641600606,
"volume": 286.5439285843697,
"volume_molar": 6.162885256637364,
"formula_full": "Li8 Fe2 Si4 O14",
"formula_reduced": "Li4FeSi2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.415701942857143,
"spacegroup": 9
},
{
"id": "jvasp-101179",
"created_at": "2022-09-04T14:37:03.639309Z",
"updated_at": "2022-09-04T14:37:03.639328Z",
"structure_string": "K1 Tl1 Co4 Se4\n1.0\n3.860117 -0.000000 0.000000\n0.000000 3.860117 0.000000\n-0.000000 -0.000000 13.307244\nK Tl Co Se\n1 1 4 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.253239 Co\n0.500000 0.000000 0.746760 Co\n0.500000 0.000000 0.253239 Co\n-0.000000 0.500000 0.746760 Co\n0.500000 0.500000 0.152348 Se\n0.000000 0.000000 0.646186 Se\n0.000000 0.000000 0.353814 Se\n0.500000 0.500000 0.847652 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Co",
"Se"
],
"chemical_system": "Co-K-Se-Tl",
"density": 6.658200594192383,
"density_atomic": 0.05043255179651825,
"volume": 198.28463251963342,
"volume_molar": 11.94097967578106,
"formula_full": "K1 Tl1 Co4 Se4",
"formula_reduced": "KTl(CoSe)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.015100766666668,
"spacegroup": 123
},
{
"id": "jvasp-21321",
"created_at": "2022-09-04T14:36:51.920933Z",
"updated_at": "2022-09-04T14:36:51.920959Z",
"structure_string": "Zn4 Ni2 W2 O12\n1.0\n0.000000 5.171336 0.005980\n5.201082 0.000000 0.000000\n0.000000 -5.036947 -7.692705\nZn Ni W O\n4 2 2 12\ndirect\n0.260552 0.965373 0.253543 Zn\n0.739448 0.465374 0.246457 Zn\n0.739448 0.034626 0.746456 Zn\n0.260551 0.534626 0.753543 Zn\n0.500000 0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000001 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.643187 0.079729 0.261293 O\n0.356813 0.579729 0.238707 O\n0.737987 0.673989 0.057131 O\n0.262013 0.173990 0.442869 O\n0.262013 0.326010 0.942868 O\n0.913045 0.185497 0.075111 O\n0.086954 0.814502 0.924888 O\n0.913045 0.314503 0.575111 O\n0.356812 0.920271 0.738706 O\n0.086955 0.685497 0.424888 O\n0.737986 0.826010 0.557131 O\n0.643187 0.420271 0.761293 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Ni",
"W",
"O"
],
"chemical_system": "Ni-O-W-Zn",
"density": 7.539235306256396,
"density_atomic": 0.09673495061173781,
"volume": 206.75050613581644,
"volume_molar": 6.225403250755651,
"formula_full": "Zn4 Ni2 W2 O12",
"formula_reduced": "Zn2NiWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.26359542,
"spacegroup": 14
}
]
}