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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=497",
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"results": [
{
"id": "jvasp-30735",
"created_at": "2022-09-04T14:38:07.462415Z",
"updated_at": "2022-09-04T14:38:07.462434Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.247586 0.000338 0.666480\n1.347696 10.024553 1.672961\n0.351042 0.994027 6.535292\nZn Sb O\n2 4 8\ndirect\n0.251629 0.238899 0.266268 Zn\n0.750695 0.739219 0.766791 Zn\n0.616705 0.078079 0.696987 Sb\n0.116205 0.577686 0.197281 Sb\n0.886096 0.400433 0.835782 Sb\n0.385657 0.900033 0.336070 Sb\n0.902494 0.765436 0.437168 O\n0.402965 0.265683 0.936610 O\n0.599336 0.712436 0.096450 O\n0.099868 0.212680 0.595902 O\n0.229059 0.890196 0.659336 O\n0.729380 0.390240 0.159147 O\n0.773344 0.087916 0.373726 O\n0.272893 0.587869 0.873918 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 6.015016392508226,
"density_atomic": 0.06799271701545816,
"volume": 205.9044058618381,
"volume_molar": 8.857037965743986,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6382909428571426,
"spacegroup": 12
},
{
"id": "jvasp-42224",
"created_at": "2022-09-04T14:38:07.843788Z",
"updated_at": "2022-09-04T14:38:07.843808Z",
"structure_string": "Mn8 O12 F4\n1.0\n-4.508995 0.102882 0.000000\n-0.204079 9.089728 -2.946204\n0.000000 0.000000 -5.892410\nMn O F\n8 12 4\ndirect\n0.472556 0.235799 0.632100 Mn\n0.527443 0.264200 0.117900 Mn\n0.500000 0.750000 0.374999 Mn\n0.500000 0.750000 0.874999 Mn\n0.001087 -0.000350 0.494279 Mn\n0.998912 0.500350 0.743929 Mn\n0.001087 -0.000350 0.006071 Mn\n0.998912 0.500350 0.255720 Mn\n0.192656 0.089642 0.705180 O\n0.192821 0.594109 0.452946 O\n0.300684 0.345013 0.328154 O\n0.304941 0.845014 0.078397 O\n0.304941 0.845014 0.576587 O\n0.300684 0.345013 0.826833 O\n0.699315 0.154987 0.421846 O\n0.695059 0.654986 0.671601 O\n0.699315 0.154987 0.923167 O\n0.807179 0.905891 0.297053 O\n0.807343 0.410358 0.044820 O\n0.695059 0.654986 0.173411 O\n0.211289 0.603103 0.948447 F\n0.775792 0.391860 0.554069 F\n0.788711 0.896897 0.801552 F\n0.224207 0.108140 0.195931 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.867083706754284,
"density_atomic": 0.09942833792810431,
"volume": 241.37987720718186,
"volume_molar": 6.056764988221519,
"formula_full": "Mn8 O12 F4",
"formula_reduced": "Mn2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.5534592108764365,
"spacegroup": 12
},
{
"id": "jvasp-11671",
"created_at": "2022-09-04T14:38:07.512959Z",
"updated_at": "2022-09-04T14:38:07.512982Z",
"structure_string": "V2 Zn2 O7\n1.0\n4.953699 0.103614 -0.923485\n-1.258907 5.134564 -1.164272\n0.076520 -0.099624 5.411870\nV Zn O\n2 2 7\ndirect\n0.902035 0.233768 0.233770 V\n0.097965 0.766230 0.766231 V\n0.500000 0.314296 0.685703 Zn\n0.500000 0.685704 0.314297 Zn\n0.224523 0.423050 0.423051 O\n0.775474 0.576949 0.576949 O\n0.289493 0.946495 0.610654 O\n0.710506 0.389345 0.053506 O\n0.000000 0.000000 0.000000 O\n0.710507 0.053506 0.389347 O\n0.289493 0.610653 0.946495 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.147083150171323,
"density_atomic": 0.07969830393152813,
"volume": 138.02050303919293,
"volume_molar": 7.5561717915275235,
"formula_full": "V2 Zn2 O7",
"formula_reduced": "V2Zn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.2717712454545453,
"spacegroup": 12
},
{
"id": "jvasp-44993",
"created_at": "2022-09-04T14:38:07.563870Z",
"updated_at": "2022-09-04T14:38:07.563897Z",
"structure_string": "Li2 Hf1 O3\n1.0\n-7.688784 -2.088574 0.098676\n7.688686 -2.088794 -0.101846\n-2.488380 4.175892 2.004329\nLi Hf O\n2 1 3\ndirect\n0.952693 0.268230 0.609006 Li\n0.050223 0.734688 0.390996 Li\n0.501445 0.501445 0.500001 Hf\n0.604468 0.319350 0.460473 O\n0.001456 0.001455 0.499997 O\n0.398416 0.683535 0.539527 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Hf",
"O"
],
"chemical_system": "Hf-Li-O",
"density": 6.3123380948379735,
"density_atomic": 0.09488810645819139,
"volume": 63.23237151585123,
"volume_molar": 6.346570697617846,
"formula_full": "Li2 Hf1 O3",
"formula_reduced": "Li2HfO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1011439166666674,
"spacegroup": 12
},
{
"id": "jvasp-48312",
"created_at": "2022-09-04T14:38:07.865036Z",
"updated_at": "2022-09-04T14:38:07.865051Z",
"structure_string": "Li1 Mn2 F6\n1.0\n4.359874 0.030756 0.028479\n-0.055094 5.212425 0.011843\n-0.031554 -2.285252 4.685274\nLi Mn F\n1 2 6\ndirect\n0.006560 -0.000346 0.000278 Li\n0.505299 0.327280 0.676079 Mn\n0.505321 0.675535 0.327806 Mn\n0.261618 0.989564 0.329498 F\n0.749170 0.012962 0.673920 F\n0.261618 0.328995 -0.009835 F\n0.735889 0.361171 0.361669 F\n0.749192 0.673474 0.013490 F\n0.274350 0.642434 0.642973 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.595036225704465,
"density_atomic": 0.08442027230358334,
"volume": 106.60946422483859,
"volume_molar": 7.133524443446247,
"formula_full": "Li1 Mn2 F6",
"formula_reduced": "LiMn2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8006362419731801,
"spacegroup": 12
},
{
"id": "jvasp-108761",
"created_at": "2022-09-04T14:38:07.901201Z",
"updated_at": "2022-09-04T14:38:07.901234Z",
"structure_string": "Li1 Ti2 Te4\n1.0\n7.215722 -0.004668 3.361133\n6.185601 3.715509 3.361133\n0.035556 0.009845 6.695615\nLi Ti Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750602 0.750602 0.237123 Ti\n0.249398 0.249399 0.762877 Ti\n0.125135 0.125135 0.215083 Te\n0.630868 0.630869 0.699617 Te\n0.874865 0.874866 0.784917 Te\n0.369132 0.369132 0.300383 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Te"
],
"chemical_system": "Li-Te-Ti",
"density": 5.680218227458106,
"density_atomic": 0.03905713266331877,
"volume": 179.22462614809868,
"volume_molar": 15.418798947460383,
"formula_full": "Li1 Ti2 Te4",
"formula_reduced": "Li(TiTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.837748247619048,
"spacegroup": 12
},
{
"id": "jvasp-11471",
"created_at": "2022-09-04T14:38:07.646821Z",
"updated_at": "2022-09-04T14:38:07.646850Z",
"structure_string": "Mn2 P2 O7\n1.0\n4.525589 -0.007082 -0.617852\n-0.928102 5.179916 -1.361012\n-0.008300 0.009282 5.435541\nMn P O\n2 2 7\ndirect\n0.500000 0.308077 0.691923 Mn\n0.500001 0.691924 0.308077 Mn\n0.908834 0.216992 0.216992 P\n0.091167 0.783009 0.783009 P\n0.275155 0.922683 0.625909 O\n0.724846 0.374092 0.077318 O\n0.724846 0.077318 0.374092 O\n0.275155 0.625909 0.922683 O\n0.000000 0.000000 0.000000 O\n0.790670 0.624962 0.624962 O\n0.209331 0.375039 0.375039 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.6987090674609697,
"density_atomic": 0.0863279962464419,
"volume": 127.42100452092188,
"volume_molar": 6.975883863687164,
"formula_full": "Mn2 P2 O7",
"formula_reduced": "Mn2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.2554281802507834,
"spacegroup": 12
},
{
"id": "jvasp-45795",
"created_at": "2022-09-04T14:38:07.692112Z",
"updated_at": "2022-09-04T14:38:07.692132Z",
"structure_string": "Li3 Mn1 Fe3 O8\n1.0\n5.629781 -0.001021 -0.009302\n-2.813734 4.859440 -0.012111\n-2.806476 -1.628647 4.793410\nLi Mn Fe O\n3 1 3 8\ndirect\n0.999999 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n-0.000000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 0.000001 Fe\n0.500000 -0.000001 0.000000 Fe\n0.015327 0.256025 0.774574 O\n0.520833 0.257099 0.784529 O\n0.519912 0.762670 0.781652 O\n0.024465 0.762672 0.781642 O\n0.975534 0.237327 0.218358 O\n0.480087 0.237329 0.218348 O\n0.479167 0.742900 0.215472 O\n0.984673 0.743975 0.225426 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.7121312638514175,
"density_atomic": 0.11464228476616703,
"volume": 130.84177474825384,
"volume_molar": 5.252983898814655,
"formula_full": "Li3 Mn1 Fe3 O8",
"formula_reduced": "Li3MnFe3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.853972116091954,
"spacegroup": 12
},
{
"id": "jvasp-30229",
"created_at": "2022-09-04T14:38:07.696004Z",
"updated_at": "2022-09-04T14:38:07.696018Z",
"structure_string": "Fe1 Co2 O6\n1.0\n5.490232 -2.786453 -0.050868\n0.000000 -1.471979 2.406583\n-3.064170 -3.864810 -2.363898\nFe Co O\n1 2 6\ndirect\n0.333333 0.333332 0.333333 Fe\n0.000291 -0.000145 -0.001070 Co\n0.666376 0.666810 0.667737 Co\n0.018756 0.490622 0.231635 O\n0.345726 0.827135 0.564251 O\n0.686150 0.156923 0.895492 O\n0.320941 0.839528 0.102416 O\n0.647910 0.176044 0.435033 O\n0.980516 0.509740 0.771176 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O",
"density": 4.924482255784697,
"density_atomic": 0.09896018499219321,
"volume": 90.94566669120509,
"volume_molar": 6.085417848072006,
"formula_full": "Fe1 Co2 O6",
"formula_reduced": "Fe(CoO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.0943998111111117,
"spacegroup": 12
},
{
"id": "jvasp-49992",
"created_at": "2022-09-04T14:38:07.746391Z",
"updated_at": "2022-09-04T14:38:07.746403Z",
"structure_string": "Ga12 N4 O12\n1.0\n5.911761 0.002232 0.000895\n2.953931 5.161741 0.007435\n2.953769 1.682867 9.733867\nGa N O\n12 4 12\ndirect\n0.249772 0.251092 0.250254 Ga\n0.810870 0.319975 0.059168 Ga\n0.749785 0.751100 0.250249 Ga\n0.001097 0.492743 0.505958 Ga\n0.498423 0.009482 0.994544 Ga\n0.688672 0.182226 0.441338 Ga\n0.749783 0.251084 0.750254 Ga\n0.249790 0.751088 0.250251 Ga\n0.302083 0.842789 0.553940 Ga\n0.249761 0.251132 0.750245 Ga\n0.197450 0.659422 0.946563 Ga\n0.749745 0.751104 0.750257 Ga\n0.396129 0.343121 0.865513 N\n0.380874 0.886356 0.352813 N\n0.103409 0.159098 0.634984 N\n0.118696 0.615829 0.147690 N\n0.621755 0.118756 0.123321 O\n0.137055 0.118753 0.123319 O\n0.877798 0.383436 0.377179 O\n0.615484 0.649321 0.120618 O\n0.636065 0.629483 0.627258 O\n0.362491 0.383438 0.377184 O\n0.626813 0.112278 0.634987 O\n0.884075 0.852882 0.379883 O\n0.108069 0.629495 0.627263 O\n0.872711 0.389929 0.865519 O\n0.863458 0.872726 0.873246 O\n0.391441 0.872733 0.873243 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 6.066998756788951,
"density_atomic": 0.09431373875482843,
"volume": 296.8814551269873,
"volume_molar": 6.38522111360122,
"formula_full": "Ga12 N4 O12",
"formula_reduced": "Ga3NO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.5829343892857142,
"spacegroup": 12
},
{
"id": "jvasp-29730",
"created_at": "2022-09-04T14:38:07.803479Z",
"updated_at": "2022-09-04T14:38:07.803498Z",
"structure_string": "Ta3 Te6\n1.0\n3.690441 0.000062 -0.000025\n-1.845241 6.978399 -2.718339\n0.000062 -0.031892 9.534985\nTa Te\n3 6\ndirect\n0.363027 0.720783 0.709039 Ta\n0.640836 0.276376 0.289518 Ta\n0.001914 0.998577 0.999274 Ta\n0.354194 0.703130 0.985539 Te\n0.649647 0.294032 0.013019 Te\n0.706422 0.407618 0.619882 Te\n0.996017 0.986757 0.692089 Te\n0.007855 0.010403 0.306467 Te\n0.297377 0.589546 0.378672 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.859604194956038,
"density_atomic": 0.03669887164762764,
"volume": 245.23914757967214,
"volume_molar": 16.409607406524433,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4111582444444446,
"spacegroup": 12
},
{
"id": "jvasp-53374",
"created_at": "2022-09-04T14:38:07.975335Z",
"updated_at": "2022-09-04T14:38:07.975367Z",
"structure_string": "Ba9 Nd2 S12\n1.0\n7.709106 -0.000236 -0.000150\n-3.854283 6.676394 0.000389\n-1.284314 -2.225412 14.430361\nBa Nd S\n9 2 12\ndirect\n0.758761 0.759152 0.238505 Ba\n0.500444 0.500830 0.500189 Ba\n0.242096 0.242497 0.761866 Ba\n0.600321 0.921581 0.762137 Ba\n0.079681 0.400928 0.238229 Ba\n0.830944 0.170332 0.500190 Ba\n0.400544 0.080072 0.238234 Ba\n0.169943 0.831327 0.500190 Ba\n0.921179 0.600731 0.762142 Ba\n0.333784 0.667462 0.000190 Nd\n0.667056 0.334183 0.000189 Nd\n0.964127 0.329319 0.891353 S\n0.789408 0.456950 0.367211 S\n0.211468 0.544707 0.633163 S\n0.036717 0.672327 0.109020 S\n0.599537 0.599941 0.891384 S\n0.401317 0.401716 0.108993 S\n0.876555 0.876950 0.626622 S\n0.671927 0.037114 0.109018 S\n0.124320 0.124709 0.373751 S\n0.544315 0.211867 0.633163 S\n0.456562 0.789791 0.367211 S\n0.328919 0.964533 0.891355 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"S"
],
"chemical_system": "Ba-Nd-S",
"density": 4.268587826797002,
"density_atomic": 0.030967770661346965,
"volume": 742.7076443932693,
"volume_molar": 19.446478165496924,
"formula_full": "Ba9 Nd2 S12",
"formula_reduced": "Ba9(NdS6)2",
"formula_anonymous": "A2B9C12",
"energy_above_hull": 1.2213215969565216,
"spacegroup": 12
}
]
}