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=-volume_molar&page=4052",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4050",
"results": [
{
"id": "jvasp-47966",
"created_at": "2022-09-04T14:38:14.989306Z",
"updated_at": "2022-09-04T14:38:14.989335Z",
"structure_string": "Fe2 O2 F2\n1.0\n4.797968 -0.333029 0.000000\n-0.333029 4.797968 0.000000\n0.000000 0.000000 2.875666\nFe O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.305346 0.305346 0.000000 O\n0.694654 0.694654 0.000000 O\n0.198390 0.801611 0.500001 F\n0.801611 0.198390 0.500001 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.579455960925001,
"density_atomic": 0.09107423187853092,
"volume": 65.88032505179316,
"volume_molar": 6.612343179607547,
"formula_full": "Fe2 O2 F2",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1143097608333334,
"spacegroup": 65
},
{
"id": "jvasp-52207",
"created_at": "2022-09-04T14:38:19.622547Z",
"updated_at": "2022-09-04T14:38:19.622568Z",
"structure_string": "Li1 Ti1 P2 O7\n1.0\n3.288623 4.134178 0.023121\n-3.288623 4.134178 -0.023121\n-1.096202 0.000000 4.434063\nLi Ti P O\n1 1 2 7\ndirect\n0.749915 0.749915 0.000000 Li\n0.125461 0.125461 0.000000 Ti\n0.252456 0.668437 0.588899 P\n0.668437 0.252456 0.411101 P\n0.071822 0.814109 0.289925 O\n0.346262 0.844794 0.799335 O\n0.129263 0.466152 0.745320 O\n0.526178 0.526178 0.500000 O\n0.466152 0.129263 0.254680 O\n0.844795 0.346262 0.200664 O\n0.814110 0.071822 0.710074 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.1450198741145075,
"density_atomic": 0.09107587774926383,
"volume": 120.7784132510204,
"volume_molar": 6.612223685155401,
"formula_full": "Li1 Ti1 P2 O7",
"formula_reduced": "LiTiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.777812166666666,
"spacegroup": 5
},
{
"id": "jvasp-39190",
"created_at": "2022-09-04T14:38:20.547735Z",
"updated_at": "2022-09-04T14:38:20.547750Z",
"structure_string": "Na2 Cr1 H2 F8\n1.0\n2.279072 0.000000 -4.880965\n-3.686394 -3.961936 -0.008642\n-3.686394 3.961936 -0.008642\nNa Cr H F\n2 1 2 8\ndirect\n0.499999 0.735376 0.264621 Na\n0.499999 0.264621 0.735376 Na\n0.000000 0.000000 0.000000 Cr\n0.780531 0.344272 0.344272 H\n0.219469 0.655728 0.655728 H\n0.776779 0.674231 0.001021 F\n0.776912 0.140879 0.140879 F\n0.223221 0.998980 0.325770 F\n0.733172 0.459442 0.459442 F\n0.266828 0.540557 0.540557 F\n0.776779 0.001021 0.674231 F\n0.223088 0.859120 0.859120 F\n0.223221 0.325770 0.998980 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H-Na",
"density": 2.931520800563455,
"density_atomic": 0.09108006414135321,
"volume": 142.7315639548127,
"volume_molar": 6.611919761775573,
"formula_full": "Na2 Cr1 H2 F8",
"formula_reduced": "Na2CrH2F8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.5055052046153843,
"spacegroup": 12
},
{
"id": "jvasp-48594",
"created_at": "2022-09-04T14:36:59.038680Z",
"updated_at": "2022-09-04T14:36:59.038702Z",
"structure_string": "Li5 Mn1 O1 F5\n1.0\n3.223243 -0.000060 0.000051\n-1.611673 2.791500 -0.000000\n0.000184 0.000106 14.643029\nLi Mn O F\n5 1 1 5\ndirect\n0.333387 0.666744 0.338543 Li\n0.333362 0.666732 0.657778 Li\n0.666664 0.333382 0.178831 Li\n0.666713 0.333408 0.498187 Li\n0.666607 0.333355 0.818785 Li\n0.333230 0.666666 0.991820 Mn\n0.666583 0.333343 0.952937 O\n0.333402 0.666752 0.465728 F\n0.333348 0.666725 0.146933 F\n0.333301 0.666702 0.785066 F\n0.666710 0.333406 0.306040 F\n0.666691 0.333397 0.625353 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.5287022314936096,
"density_atomic": 0.09108027030377297,
"volume": 131.7519146570089,
"volume_molar": 6.611904795533457,
"formula_full": "Li5 Mn1 O1 F5",
"formula_reduced": "Li5MnOF5",
"formula_anonymous": "ABC5D5",
"energy_above_hull": 0.7221151794899423,
"spacegroup": 156
},
{
"id": "jvasp-85689",
"created_at": "2022-09-04T14:35:47.933735Z",
"updated_at": "2022-09-04T14:35:47.933761Z",
"structure_string": "K2 H6 Pb1 O6\n1.0\n3.353541 1.936168 4.227054\n-3.353541 1.936168 4.227054\n0.000000 -3.872335 4.227054\nK H Pb O\n2 6 1 6\ndirect\n0.709518 0.709518 0.709517 K\n0.290481 0.290481 0.290481 K\n0.632721 0.195241 0.747368 H\n0.195241 0.747369 0.632720 H\n0.747369 0.632721 0.195240 H\n0.367278 0.804759 0.252630 H\n0.804759 0.252631 0.367277 H\n0.252631 0.367278 0.804758 H\n0.000000 0.000000 0.000000 Pb\n0.813248 0.207577 0.684339 O\n0.207577 0.684340 0.813247 O\n0.684340 0.813248 0.207575 O\n0.186752 0.792423 0.315658 O\n0.792423 0.315659 0.186751 O\n0.315659 0.186752 0.792422 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"K",
"H",
"Pb",
"O"
],
"chemical_system": "H-K-O-Pb",
"density": 3.90677716828629,
"density_atomic": 0.0910868386193485,
"volume": 164.67801745414542,
"volume_molar": 6.611428007910671,
"formula_full": "K2 H6 Pb1 O6",
"formula_reduced": "K2H6PbO6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.2600371880000005,
"spacegroup": 148
},
{
"id": "jvasp-52200",
"created_at": "2022-09-04T14:38:34.273640Z",
"updated_at": "2022-09-04T14:38:34.273664Z",
"structure_string": "Li6 Cu2 F8\n1.0\n5.089990 0.000000 0.000000\n0.000000 5.476952 0.000000\n0.000000 0.000000 6.300765\nLi Cu F\n6 2 8\ndirect\n0.504804 0.824873 0.000000 Li\n0.504345 0.336813 0.249100 Li\n0.004345 0.663186 0.250900 Li\n0.004804 0.175126 0.500000 Li\n0.004345 0.663186 0.749101 Li\n0.504345 0.336813 0.750900 Li\n-0.000647 0.157863 0.000000 Cu\n0.499353 0.842136 0.500000 Cu\n0.138299 0.798561 0.000000 F\n0.588043 0.159457 0.000000 F\n0.638039 0.653245 0.230830 F\n0.138039 0.346755 0.269171 F\n0.088043 0.840543 0.500000 F\n0.638299 0.201439 0.500000 F\n0.138039 0.346755 0.730830 F\n0.638039 0.653245 0.769171 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.0320270454601808,
"density_atomic": 0.09109002824727311,
"volume": 175.65040112367052,
"volume_molar": 6.611196500732538,
"formula_full": "Li6 Cu2 F8",
"formula_reduced": "Li3CuF4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.1351075353124999,
"spacegroup": 31
},
{
"id": "jvasp-36420",
"created_at": "2022-09-04T14:37:27.302438Z",
"updated_at": "2022-09-04T14:37:27.302489Z",
"structure_string": "Ta1 C1\n1.0\n2.800141 0.000000 0.000000\n-0.000000 2.800141 0.000000\n-0.000000 -0.000000 2.800141\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.593971374329142,
"density_atomic": 0.09109410930987634,
"volume": 21.955316487003202,
"volume_molar": 6.6109003157541,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy_above_hull": 4.4381846,
"spacegroup": 221
},
{
"id": "jvasp-103814",
"created_at": "2022-09-04T14:36:52.971144Z",
"updated_at": "2022-09-04T14:36:52.971175Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n4.167958 0.067750 0.135451\n1.943747 6.206531 0.178332\n-0.101585 -0.242082 6.816741\nH C S N O\n6 4 2 2 2\ndirect\n0.895900 0.967169 0.157218 H\n0.895902 0.467169 0.657214 H\n0.657599 0.869176 0.332894 H\n0.657601 0.369179 0.832893 H\n0.171987 0.777864 0.537813 H\n0.171994 0.277865 0.037810 H\n0.915717 0.852149 0.276744 C\n0.915719 0.352151 0.776743 C\n0.080203 0.124435 0.699983 C\n0.080203 0.624434 0.199982 C\n0.364186 0.933689 0.817170 S\n0.364186 0.433688 0.317168 S\n0.138099 0.890562 0.427996 N\n0.138102 0.390566 0.927992 N\n0.960141 0.098782 0.523448 O\n0.960141 0.598783 0.023447 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.685031646154789,
"density_atomic": 0.0910944057089019,
"volume": 175.64196039797483,
"volume_molar": 6.610878805493437,
"formula_full": "H6 C4 S2 N2 O2",
"formula_reduced": "H3C2SNO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.25771459375,
"spacegroup": 1
},
{
"id": "jvasp-99807",
"created_at": "2022-09-04T14:36:22.454418Z",
"updated_at": "2022-09-04T14:36:22.454437Z",
"structure_string": "Li1 La1 O3\n1.0\n3.800334 0.000000 0.000000\n-0.000000 3.800334 0.000000\n-0.000000 -0.000000 3.800334\nLi La O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"La",
"O"
],
"chemical_system": "La-Li-O",
"density": 5.864590061942096,
"density_atomic": 0.09109713170064815,
"volume": 54.886470151775654,
"volume_molar": 6.61068098147063,
"formula_full": "Li1 La1 O3",
"formula_reduced": "LiLaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6401050999999998,
"spacegroup": 221
},
{
"id": "jvasp-48750",
"created_at": "2022-09-04T14:35:50.857550Z",
"updated_at": "2022-09-04T14:35:50.857581Z",
"structure_string": "Li2 V2 F6\n1.0\n5.189718 0.000299 -0.000202\n2.594457 4.494406 0.000125\n2.594484 1.497885 4.706417\nLi V F\n2 2 6\ndirect\n0.202276 0.202275 0.393192 Li\n0.702269 0.702279 0.893193 Li\n0.493773 0.493767 0.518683 V\n0.993766 0.993776 0.018684 V\n0.403128 0.079647 0.741176 F\n0.276041 0.579661 0.241175 F\n0.903131 0.276044 0.241175 F\n0.776047 0.403125 0.741173 F\n0.079655 0.776037 0.741178 F\n0.579645 0.903129 0.241177 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4755254323123936,
"density_atomic": 0.09109732187582752,
"volume": 109.77271114106681,
"volume_molar": 6.6106671809832465,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4188570095,
"spacegroup": 161
},
{
"id": "jvasp-48502",
"created_at": "2022-09-04T14:36:15.802443Z",
"updated_at": "2022-09-04T14:36:15.802464Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n-0.000000 5.844617 -0.000000\n-5.061556 2.922308 -0.000194\n-0.000079 -0.000000 5.194767\nLi Co O F\n2 4 2 6\ndirect\n0.666676 0.666650 0.028029 Li\n0.333325 0.333351 0.971973 Li\n0.500000 0.500001 0.500001 Co\n-0.000000 0.500001 0.500001 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.666663 0.666675 0.672819 O\n0.333337 0.333326 0.327182 O\n0.828215 0.828195 0.217979 F\n0.343593 0.828195 0.217979 F\n0.171789 0.656423 0.782004 F\n0.828212 0.343578 0.217998 F\n0.656408 0.171806 0.782022 F\n0.171786 0.171806 0.782022 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.274679853698009,
"density_atomic": 0.09110073048149928,
"volume": 153.67604547191988,
"volume_molar": 6.610419837657587,
"formula_full": "Li2 Co4 O2 F6",
"formula_reduced": "LiCo2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.246669449642857,
"spacegroup": 164
},
{
"id": "jvasp-118071",
"created_at": "2022-09-04T14:38:50.460515Z",
"updated_at": "2022-09-04T14:38:50.460541Z",
"structure_string": "Zn2 H3 Cl1\n1.0\n3.185261 0.000000 -0.000000\n-1.592631 2.758517 0.000000\n-0.000000 -0.000000 7.495586\nZn H Cl\n2 3 1\ndirect\n0.666666 0.333333 0.217185 Zn\n0.333332 0.666667 0.782816 Zn\n0.666666 0.333333 0.787800 H\n0.333332 0.666667 0.212200 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"H",
"Cl"
],
"chemical_system": "Cl-H-Zn",
"density": 4.268413523067149,
"density_atomic": 0.09110138301933032,
"volume": 65.86069059705594,
"volume_molar": 6.610372488771321,
"formula_full": "Zn2 H3 Cl1",
"formula_reduced": "Zn2H3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9029491445833334,
"spacegroup": 164
}
]
}