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=-density&page=3831",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3829",
"results": [
{
"id": "jvasp-30154",
"created_at": "2022-09-04T14:36:48.411734Z",
"updated_at": "2022-09-04T14:36:48.411748Z",
"structure_string": "Co2 H12 Se4 O16\n1.0\n6.400488 0.000000 -2.841972\n0.000000 6.718449 0.000000\n-0.056635 0.000000 7.988902\nCo H Se O\n2 12 4 16\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.254489 0.508296 0.239841 H\n0.754490 0.991704 0.739841 H\n0.745512 0.491704 0.760159 H\n0.245511 0.008296 0.260159 H\n0.246654 0.773548 0.639966 H\n0.746654 0.726452 0.139966 H\n0.753347 0.226452 0.360035 H\n0.253347 0.273548 0.860035 H\n0.123148 0.826174 0.425169 H\n0.623149 0.673826 0.925169 H\n0.876853 0.173826 0.574831 H\n0.376852 0.326174 0.074831 H\n0.941215 0.217984 0.112314 Se\n0.441216 0.282016 0.612314 Se\n0.558785 0.717984 0.387687 Se\n0.058786 0.782016 0.887687 Se\n0.804316 0.284070 0.488525 O\n0.695684 0.784070 0.011475 O\n0.195685 0.715930 0.511475 O\n0.113253 0.035791 0.280120 O\n0.613254 0.464209 0.780121 O\n0.886748 0.964209 0.719880 O\n0.386747 0.535791 0.219880 O\n0.532168 0.072033 0.737577 O\n0.967834 0.572033 0.762424 O\n0.467833 0.927967 0.262424 O\n0.722849 0.171249 0.154042 O\n0.222849 0.328751 0.654042 O\n0.277152 0.828751 0.845958 O\n0.777152 0.671249 0.345958 O\n0.032167 0.427967 0.237577 O\n0.304317 0.215930 0.988525 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-O-Se",
"density": 3.4029656707929234,
"density_atomic": 0.09928392343525955,
"volume": 342.4522200935231,
"volume_molar": 6.0655749205226375,
"formula_full": "Co2 H12 Se4 O16",
"formula_reduced": "CoH6(SeO4)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.9528832725490197,
"spacegroup": 14
},
{
"id": "jvasp-113687",
"created_at": "2022-09-04T14:38:46.811070Z",
"updated_at": "2022-09-04T14:38:46.811094Z",
"structure_string": "Al2 S1 O2\n1.0\n3.094106 0.000000 0.000000\n-1.547053 2.679575 0.000000\n-0.000000 -0.000000 6.946680\nAl S O\n2 1 2\ndirect\n0.666669 0.333333 0.251778 Al\n0.333335 0.666666 0.748222 Al\n0.000000 0.000000 0.000000 S\n0.333335 0.666666 0.337958 O\n0.666669 0.333333 0.662042 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"S",
"O"
],
"chemical_system": "Al-O-S",
"density": 3.4029190285494573,
"density_atomic": 0.0868143675324199,
"volume": 57.59415338864046,
"volume_molar": 6.9368019731884765,
"formula_full": "Al2 S1 O2",
"formula_reduced": "Al2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.69109052,
"spacegroup": 164
},
{
"id": "jvasp-86916",
"created_at": "2022-09-04T14:35:52.072390Z",
"updated_at": "2022-09-04T14:35:52.072409Z",
"structure_string": "Li2 Sc2 O4\n1.0\n3.890182 -0.000000 -1.592877\n-0.652220 3.835117 -1.592877\n-0.017142 -0.020304 5.504947\nLi Sc O\n2 2 4\ndirect\n0.875000 0.125001 0.750000 Li\n0.125000 0.875001 0.250000 Li\n0.625000 0.375000 0.250000 Sc\n0.375000 0.625001 0.750000 Sc\n0.144761 0.394761 0.289521 O\n0.394761 0.144761 0.789521 O\n0.605239 0.855240 0.210479 O\n0.855240 0.605241 0.710479 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sc",
"O"
],
"chemical_system": "Li-O-Sc",
"density": 3.402904801249805,
"density_atomic": 0.0977059314454022,
"volume": 81.87834537425579,
"volume_molar": 6.16353651299579,
"formula_full": "Li2 Sc2 O4",
"formula_reduced": "LiScO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2152680625000003,
"spacegroup": 141
},
{
"id": "jvasp-122027",
"created_at": "2022-09-04T14:38:51.745074Z",
"updated_at": "2022-09-04T14:38:51.745099Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n4.014286 0.000000 2.317649\n1.338095 9.826797 2.317648\n0.000000 0.000000 4.635298\nLi Fe B O\n4 2 4 12\ndirect\n0.904242 0.287276 0.904242 Li\n0.404241 0.787276 0.404242 Li\n0.595759 0.212724 0.595759 Li\n0.095758 0.712724 0.095759 Li\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.202504 0.392486 0.202505 B\n0.702504 0.892487 0.702506 B\n0.297496 0.107514 0.297496 B\n0.797496 0.607514 0.797496 B\n0.740739 0.884969 0.984227 O\n0.240739 0.384969 0.484226 O\n0.984226 0.884969 0.390067 O\n0.484226 0.384969 0.890067 O\n0.515774 0.615031 0.109934 O\n0.890067 0.384969 0.240739 O\n0.759261 0.615031 0.515775 O\n0.259261 0.115031 0.015774 O\n0.390066 0.884969 0.740740 O\n0.609934 0.115031 0.259261 O\n0.015774 0.115031 0.609934 O\n0.109933 0.615031 0.759262 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.4027040027409354,
"density_atomic": 0.12031637138580967,
"volume": 182.8512591146405,
"volume_molar": 5.005254638779991,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.905649242424242,
"spacegroup": 148
},
{
"id": "jvasp-7651",
"created_at": "2022-09-04T14:36:40.054265Z",
"updated_at": "2022-09-04T14:36:40.054286Z",
"structure_string": "K4 Cu2 Sb2\n1.0\n6.236232 0.000000 -0.000000\n0.000000 6.298375 -1.797228\n0.000000 -0.005598 6.549773\nK Cu Sb\n4 2 2\ndirect\n0.250000 0.012920 0.674545 K\n0.750000 0.987081 0.325455 K\n0.750000 0.325455 0.987080 K\n0.250000 0.674545 0.012920 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.250000 0.246712 0.246712 Sb\n0.750000 0.753288 0.753287 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"Sb"
],
"chemical_system": "Cu-K-Sb",
"density": 3.4024590045257694,
"density_atomic": 0.03110418957910031,
"volume": 257.20007845423504,
"volume_molar": 19.361188449180585,
"formula_full": "K4 Cu2 Sb2",
"formula_reduced": "K2CuSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-112933",
"created_at": "2022-09-04T14:38:45.400246Z",
"updated_at": "2022-09-04T14:38:45.400281Z",
"structure_string": "Na2 Se4 O12\n1.0\n5.121079 0.000000 0.000000\n-0.000000 5.205343 1.543112\n-0.000000 0.499478 10.288281\nNa Se O\n2 4 12\ndirect\n0.179752 -0.002142 0.482921 Na\n0.820248 -0.002142 -0.017079 Na\n0.533543 0.344454 0.685849 Se\n0.466457 0.344454 0.185849 Se\n0.092417 0.655323 0.800863 Se\n-0.092417 0.655323 0.300863 Se\n0.042997 0.372886 0.303104 O\n0.957003 0.372886 0.803104 O\n0.048686 0.913323 0.190937 O\n0.951314 0.913323 0.690937 O\n0.537781 0.098272 0.327150 O\n0.407356 0.654197 0.717777 O\n0.592644 0.654197 0.217777 O\n0.128726 0.671551 0.957168 O\n0.644984 0.343136 0.051229 O\n0.355016 0.343136 0.551229 O\n0.462219 0.098273 0.827150 O\n-0.128726 0.671551 0.457168 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Se",
"O"
],
"chemical_system": "Na-O-Se",
"density": 3.40215320643021,
"density_atomic": 0.0665908636160218,
"volume": 270.3073518282047,
"volume_molar": 9.043494006512732,
"formula_full": "Na2 Se4 O12",
"formula_reduced": "Na(SeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.087014081481482,
"spacegroup": 7
},
{
"id": "jvasp-47083",
"created_at": "2022-09-04T14:38:02.280092Z",
"updated_at": "2022-09-04T14:38:02.280112Z",
"structure_string": "Li2 V2 F6\n1.0\n0.000000 3.208042 0.001107\n5.490986 0.000000 0.000000\n0.000000 -1.601449 -6.366841\nLi V F\n2 2 6\ndirect\n0.938086 0.750001 0.875646 Li\n0.061912 0.250000 0.124354 Li\n0.668540 0.750001 0.336986 V\n0.331459 0.250000 0.663014 V\n0.835379 0.000165 0.670851 F\n0.835379 0.499835 0.670851 F\n0.509704 0.750001 0.018897 F\n0.490295 0.250000 0.981102 F\n0.164620 0.500166 0.329148 F\n0.164620 -0.000165 0.329148 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.402030254215825,
"density_atomic": 0.08917093289500232,
"volume": 112.14416711076555,
"volume_molar": 6.753479597539927,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4336170095,
"spacegroup": 63
},
{
"id": "jvasp-43880",
"created_at": "2022-09-04T14:36:43.627845Z",
"updated_at": "2022-09-04T14:36:43.627867Z",
"structure_string": "Li4 V4 F12\n1.0\n4.866560 -0.000000 0.000000\n0.000000 5.313602 0.000000\n0.000000 0.000000 8.673626\nLi V F\n4 4 12\ndirect\n0.000000 0.250000 0.196348 Li\n0.000000 0.750000 0.803652 Li\n0.500000 0.750000 0.696348 Li\n0.500000 0.250000 0.303652 Li\n0.000000 0.750000 0.404930 V\n0.000000 0.250000 0.595071 V\n0.500000 0.750000 0.095070 V\n0.500000 0.250000 0.904930 V\n0.250000 0.551197 0.250000 F\n0.250000 0.051197 0.750000 F\n0.279900 0.586242 0.912808 F\n0.279900 0.086242 0.087192 F\n0.720100 0.413758 0.087192 F\n0.779900 0.413758 0.412808 F\n0.750000 0.948803 0.250000 F\n0.750000 0.448803 0.750000 F\n0.220100 0.086242 0.412808 F\n0.779900 0.913758 0.587193 F\n0.720100 0.913758 0.912808 F\n0.220100 0.586242 0.587193 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4019902238134416,
"density_atomic": 0.0891698836543848,
"volume": 224.29097336852394,
"volume_molar": 6.753559064113313,
"formula_full": "Li4 V4 F12",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4219610095000001,
"spacegroup": 52
},
{
"id": "jvasp-21556",
"created_at": "2022-09-04T14:36:48.212932Z",
"updated_at": "2022-09-04T14:36:48.212946Z",
"structure_string": "Na20 Sn4 As12\n1.0\n0.000000 8.587215 -0.004956\n7.629628 0.000000 0.000000\n0.000000 -8.463847 -13.656540\nNa Sn As\n20 4 12\ndirect\n0.992739 0.159992 0.417440 Na\n0.747668 0.975193 0.913863 Na\n0.007261 0.659992 0.082560 Na\n0.007260 0.840008 0.582560 Na\n0.685530 0.640832 0.756312 Na\n0.314469 0.140832 0.743689 Na\n0.314469 0.359168 0.243689 Na\n0.685530 0.859169 0.256312 Na\n0.252331 0.475193 0.586138 Na\n0.252331 0.024807 0.086138 Na\n0.992739 0.340008 0.917440 Na\n0.590089 0.460856 0.911278 Na\n0.409910 0.960857 0.588723 Na\n0.409910 0.539144 0.088723 Na\n0.590090 0.039144 0.411278 Na\n0.907415 0.003883 0.741478 Na\n0.092584 0.503883 0.758522 Na\n0.747668 0.524808 0.413863 Na\n0.092584 0.996118 0.258522 Na\n0.907415 0.496117 0.241478 Na\n0.662139 0.147890 0.090857 Sn\n0.337861 0.647890 0.409143 Sn\n0.337861 0.852111 0.909143 Sn\n0.662139 0.352111 0.590857 Sn\n0.637266 0.248647 0.240541 As\n0.362734 0.751354 0.759460 As\n0.669947 0.709837 0.571609 As\n0.330052 0.209837 0.928392 As\n0.330052 0.290163 0.428392 As\n0.669947 0.790163 0.071609 As\n0.056796 0.769373 0.416617 As\n0.943203 0.269373 0.083383 As\n0.943203 0.230627 0.583383 As\n0.056796 0.730627 0.916617 As\n0.362734 0.748647 0.259460 As\n0.637266 0.251353 0.740541 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Sn",
"As"
],
"chemical_system": "As-Na-Sn",
"density": 3.401922410737238,
"density_atomic": 0.040220809292930496,
"volume": 895.0590660125685,
"volume_molar": 14.972699122338385,
"formula_full": "Na20 Sn4 As12",
"formula_reduced": "Na5SnAs3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.451604661111111,
"spacegroup": 14
},
{
"id": "jvasp-94748",
"created_at": "2022-09-04T14:36:15.640159Z",
"updated_at": "2022-09-04T14:36:15.640179Z",
"structure_string": "Hf1 Mg6 Al1\n1.0\n6.359629 -0.016674 0.000000\n-3.194255 5.499261 0.000000\n0.000000 0.000000 4.910848\nHf Mg Al\n1 6 1\ndirect\n0.324062 0.175939 0.750000 Hf\n0.170449 0.835932 0.250000 Mg\n0.664068 0.329553 0.250000 Mg\n0.670077 0.829924 0.250000 Mg\n0.328120 0.668115 0.750000 Mg\n0.831885 0.171881 0.750000 Mg\n0.832842 0.667159 0.750000 Mg\n0.178502 0.321498 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Al"
],
"chemical_system": "Al-Hf-Mg",
"density": 3.401719018109113,
"density_atomic": 0.04665081933142769,
"volume": 171.486805905048,
"volume_molar": 12.908971045537477,
"formula_full": "Hf1 Mg6 Al1",
"formula_reduced": "HfMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3062000125,
"spacegroup": 38
},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.401677288989236,
"density_atomic": 0.0388773435140143,
"volume": 514.4384413196983,
"volume_molar": 15.490103529911119,
"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.35994645075,
"spacegroup": 11
},
{
"id": "jvasp-102823",
"created_at": "2022-09-04T14:36:42.977506Z",
"updated_at": "2022-09-04T14:36:42.977539Z",
"structure_string": "Na2 Sr2 N2\n1.0\n4.012021 -0.000000 0.000000\n-2.006010 3.474509 0.000000\n0.000000 0.000000 8.728032\nNa Sr N\n2 2 2\ndirect\n0.666667 0.333333 0.729605 Na\n0.333333 0.666667 0.229605 Na\n0.000001 0.000001 0.499034 Sr\n0.999999 0.999999 -0.000966 Sr\n0.333333 0.666667 0.616000 N\n0.666667 0.333333 0.116000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Sr",
"N"
],
"chemical_system": "N-Na-Sr",
"density": 3.401586874782118,
"density_atomic": 0.04931491421497011,
"volume": 121.66704729212792,
"volume_molar": 12.211601410779519,
"formula_full": "Na2 Sr2 N2",
"formula_reduced": "NaSrN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0527161866666663,
"spacegroup": 186
}
]
}