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=1043",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1041",
"results": [
{
"id": "jvasp-27665",
"created_at": "2022-09-04T14:37:28.431548Z",
"updated_at": "2022-09-04T14:37:28.431567Z",
"structure_string": "Ca4 Cr6 O16\n1.0\n2.976835 -5.156030 -0.000000\n2.976835 5.156030 -0.000000\n0.000000 -0.000000 10.432794\nCa Cr O\n4 6 16\ndirect\n0.666666 0.333332 0.977254 Ca\n0.333332 0.666666 0.477254 Ca\n0.666666 0.333332 0.567263 Ca\n0.333332 0.666666 0.067263 Ca\n0.163266 0.326533 0.754756 Cr\n0.836733 0.163266 0.254756 Cr\n0.326533 0.163266 0.254756 Cr\n0.836732 0.673465 0.254756 Cr\n0.673465 0.836732 0.754756 Cr\n0.163266 0.836733 0.754756 Cr\n0.476673 0.523326 0.653782 O\n0.953347 0.476672 0.153782 O\n0.333332 0.666666 0.853153 O\n0.000000 0.000000 0.156022 O\n0.000000 0.000000 0.656022 O\n0.523326 0.476673 0.153782 O\n0.046652 0.523326 0.653782 O\n0.155272 0.844726 0.342397 O\n0.155273 0.310547 0.342397 O\n0.310547 0.155273 0.842397 O\n0.844726 0.155272 0.842397 O\n0.476672 0.953347 0.653782 O\n0.689451 0.844726 0.342397 O\n0.844726 0.689451 0.842397 O\n0.523326 0.046652 0.153782 O\n0.666666 0.333332 0.353153 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.7761223553816206,
"density_atomic": 0.0811843880343502,
"volume": 320.2586190463005,
"volume_molar": 7.417855705769379,
"formula_full": "Ca4 Cr6 O16",
"formula_reduced": "Ca2Cr3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.912428541538461,
"spacegroup": 186
},
{
"id": "jvasp-21961",
"created_at": "2022-09-04T14:37:32.366706Z",
"updated_at": "2022-09-04T14:37:32.366731Z",
"structure_string": "Rb2 Na1 Y1 F6\n1.0\n5.431934 -0.000000 3.136129\n1.810645 5.121277 3.136129\n-0.000000 -0.000000 6.272257\nRb Na Y F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.244780 0.755220 0.755220 F\n0.244780 0.755220 0.244781 F\n0.755218 0.244781 0.755220 F\n0.244780 0.244781 0.755220 F\n0.755218 0.244781 0.244781 F\n0.755218 0.755220 0.244782 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Rb-Y",
"density": 3.776485725721937,
"density_atomic": 0.0573117149392392,
"volume": 174.48439661248685,
"volume_molar": 10.507695968240629,
"formula_full": "Rb2 Na1 Y1 F6",
"formula_reduced": "Rb2NaYF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-111135",
"created_at": "2022-09-04T14:38:46.888024Z",
"updated_at": "2022-09-04T14:38:46.888039Z",
"structure_string": "Mn1 Cu2 Cl4\n1.0\n6.339119 -0.243532 0.000000\n-2.250311 5.931260 0.000000\n0.000000 -0.000000 3.843059\nMn Cu Cl\n1 2 4\ndirect\n0.221329 0.221329 -0.000000 Mn\n0.875083 0.561710 0.500000 Cu\n0.561710 0.875083 0.500000 Cu\n0.000129 0.462086 -0.000000 Cl\n0.473669 0.473669 0.500000 Cl\n-0.024005 -0.024005 0.500000 Cl\n0.462086 0.000129 -0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Mn",
"density": 3.7766439731591883,
"density_atomic": 0.049161118440445156,
"volume": 142.38894927665146,
"volume_molar": 12.24980421732136,
"formula_full": "Mn1 Cu2 Cl4",
"formula_reduced": "Mn(CuCl2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5158792016256157,
"spacegroup": 38
},
{
"id": "jvasp-69846",
"created_at": "2022-09-04T14:35:58.049767Z",
"updated_at": "2022-09-04T14:35:58.049792Z",
"structure_string": "Be1 Co1 Br4\n1.0\n-0.000000 4.400255 4.400255\n4.400255 0.000000 4.400255\n4.400255 4.400255 0.000000\nBe Co Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Co\n0.125461 0.624847 0.624847 Br\n0.624847 0.624847 0.624847 Br\n0.624847 0.125461 0.624847 Br\n0.624847 0.624847 0.125461 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 3.7768179961005255,
"density_atomic": 0.03521175889301041,
"volume": 170.3976225166931,
"volume_molar": 17.102641132747856,
"formula_full": "Be1 Co1 Br4",
"formula_reduced": "BeCoBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1084539033333338,
"spacegroup": 216
},
{
"id": "jvasp-36895",
"created_at": "2022-09-04T14:37:16.080609Z",
"updated_at": "2022-09-04T14:37:16.080629Z",
"structure_string": "Rb1 Ag1 Cl3\n1.0\n5.088529 -0.002154 -0.001077\n0.001792 5.088642 -0.003277\n0.000875 0.002347 5.088713\nRb Ag Cl\n1 1 3\ndirect\n0.999999 0.998036 0.011850 Rb\n0.500005 0.497987 0.512046 Ag\n-0.000003 0.498074 0.511998 Cl\n0.500042 0.497912 0.012046 Cl\n0.499959 0.997994 0.512054 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb",
"density": 3.7768198989154356,
"density_atomic": 0.03794614702330327,
"volume": 131.76568353380986,
"volume_molar": 15.870229871564344,
"formula_full": "Rb1 Ag1 Cl3",
"formula_reduced": "RbAgCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-59184",
"created_at": "2022-09-04T14:38:08.883968Z",
"updated_at": "2022-09-04T14:38:08.883979Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.699090 0.000000 0.000000\n-0.000000 5.628219 0.000000\n0.000000 0.000000 9.772233\nCr P O\n4 4 16\ndirect\n0.444743 0.750000 0.768977 Cr\n0.944743 0.250000 0.731022 Cr\n0.055257 0.750000 0.268977 Cr\n0.555257 0.250000 0.231022 Cr\n0.617523 0.750000 0.086202 P\n0.117523 0.250000 0.413798 P\n0.882477 0.750000 0.586202 P\n0.382477 0.250000 0.913798 P\n0.201408 0.750000 0.610828 O\n0.681756 0.750000 0.934151 O\n0.818244 0.750000 0.434151 O\n0.798592 0.250000 0.389171 O\n0.727850 0.537491 0.663950 O\n0.272150 0.462509 0.336050 O\n0.772150 0.537491 0.163950 O\n0.227850 0.462509 0.836050 O\n0.298592 0.750000 0.110828 O\n0.318244 0.250000 0.065849 O\n0.727850 0.962509 0.663950 O\n0.227850 0.037491 0.836050 O\n0.701409 0.250000 0.889171 O\n0.181756 0.250000 0.565849 O\n0.772150 0.962509 0.163950 O\n0.272150 0.037491 0.336050 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.777041171514297,
"density_atomic": 0.09286085487018161,
"volume": 258.4512067388537,
"volume_molar": 6.485123110721823,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.853917816666668,
"spacegroup": 62
},
{
"id": "jvasp-105638",
"created_at": "2022-09-04T14:36:06.220246Z",
"updated_at": "2022-09-04T14:36:06.220272Z",
"structure_string": "K2 Ag1 Au1 Cl6\n1.0\n6.219409 0.000000 3.590777\n2.073136 5.863716 3.590777\n0.000000 0.000000 7.181555\nK Ag Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751589 0.248412 0.248412 Cl\n0.248412 0.248412 0.751589 Cl\n0.248412 0.751589 0.751589 Cl\n0.248412 0.751589 0.248412 Cl\n0.751589 0.248412 0.751589 Cl\n0.751589 0.751589 0.248412 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Au",
"Cl"
],
"chemical_system": "Ag-Au-Cl-K",
"density": 3.7772188825593145,
"density_atomic": 0.038182069480232984,
"volume": 261.90303815713924,
"volume_molar": 15.772169612539438,
"formula_full": "K2 Ag1 Au1 Cl6",
"formula_reduced": "K2AgAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117299",
"created_at": "2022-09-04T14:38:26.282385Z",
"updated_at": "2022-09-04T14:38:26.282415Z",
"structure_string": "V6 P4 O16\n1.0\n4.795312 -0.001271 0.001133\n0.002797 10.469248 -0.232397\n-0.001441 -0.054672 6.004214\nV P O\n6 4 16\ndirect\n0.989330 0.274638 0.245699 V\n0.010670 0.725364 0.754303 V\n0.489329 0.225364 0.754309 V\n0.500001 0.500002 0.500003 V\n0.000000 -0.000000 0.499997 V\n0.510672 0.774635 0.245686 V\n0.924946 0.404637 0.751680 P\n0.575053 0.904634 0.751667 P\n0.075057 0.595365 0.248322 P\n0.424946 0.095366 0.248327 P\n0.755852 0.602119 0.268891 O\n0.267957 0.161882 0.459475 O\n0.232046 0.661884 0.459470 O\n0.244150 0.397881 0.731107 O\n0.255848 0.897880 0.731097 O\n0.744149 0.102123 0.268893 O\n0.686174 0.043663 0.744932 O\n0.694135 0.829356 0.947565 O\n0.186178 0.456336 0.255068 O\n0.313835 0.956337 0.255067 O\n0.805857 0.329362 0.947582 O\n0.732043 0.838117 0.540519 O\n0.305854 0.170640 0.052429 O\n0.194144 0.670639 0.052420 O\n0.813827 0.543665 0.744937 O\n0.767954 0.338118 0.540531 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.777266244477984,
"density_atomic": 0.08627253615746859,
"volume": 301.37053062336787,
"volume_molar": 6.980368293576199,
"formula_full": "V6 P4 O16",
"formula_reduced": "V3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.457916276923077,
"spacegroup": 14
},
{
"id": "jvasp-90843",
"created_at": "2022-09-04T14:36:09.453745Z",
"updated_at": "2022-09-04T14:36:09.453772Z",
"structure_string": "K2 Se6\n1.0\n-0.000000 -5.385399 -0.000000\n8.307272 -2.692700 -4.068385\n4.626407 -2.692700 3.157990\nK Se\n2 6\ndirect\n-0.014296 0.249697 0.610783 K\n0.846183 0.750302 0.389218 K\n0.304262 0.491977 0.737121 Se\n0.533359 0.508023 0.262880 Se\n0.193178 0.863800 0.737036 Se\n0.794013 0.136200 0.262965 Se\n0.266743 0.199341 0.072472 Se\n0.538558 0.800658 -0.072471 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.7772936260864363,
"density_atomic": 0.03296982975256293,
"volume": 242.646081585487,
"volume_molar": 18.26561072712808,
"formula_full": "K2 Se6",
"formula_reduced": "KSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8900258541666667,
"spacegroup": 5
},
{
"id": "jvasp-10459",
"created_at": "2022-09-04T14:36:30.911597Z",
"updated_at": "2022-09-04T14:36:30.911610Z",
"structure_string": "Rb6 Te6\n1.0\n4.965727 -8.600893 0.000000\n4.965727 8.600893 -0.000000\n0.000000 0.000000 6.578679\nRb Te\n6 6\ndirect\n0.000000 0.346023 0.000000 Rb\n0.653977 0.653977 0.000000 Rb\n0.346023 0.000000 0.000000 Rb\n0.000000 0.679697 0.500000 Rb\n0.320303 0.320303 0.500000 Rb\n0.679697 0.000000 0.500000 Rb\n0.000000 0.000000 0.784403 Te\n0.000000 0.000000 0.215598 Te\n0.333333 0.666667 0.717088 Te\n0.333333 0.666667 0.282912 Te\n0.666667 0.333333 0.282912 Te\n0.666667 0.333333 0.717088 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 3.7776619632374686,
"density_atomic": 0.021354340819378398,
"volume": 561.9466365878349,
"volume_molar": 28.201014542837566,
"formula_full": "Rb6 Te6",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0286544416666666,
"spacegroup": 189
},
{
"id": "jvasp-27786",
"created_at": "2022-09-04T14:37:09.758524Z",
"updated_at": "2022-09-04T14:37:09.758545Z",
"structure_string": "Na4 Te4 F20\n1.0\n5.892940 -0.000000 0.000000\n0.000000 7.079529 0.000000\n0.000000 0.000000 10.349929\nNa Te F\n4 4 20\ndirect\n0.250000 0.318897 0.997239 Na\n0.750000 0.681104 0.002761 Na\n0.750000 0.818897 0.502761 Na\n0.250000 0.181103 0.497239 Na\n0.250000 0.648435 0.265240 Te\n0.750000 0.351565 0.734760 Te\n0.750000 0.148435 0.234760 Te\n0.250000 0.851565 0.765240 Te\n0.513965 0.140679 0.098889 F\n0.021219 0.547248 0.134745 F\n0.521219 0.452752 0.865255 F\n0.478781 0.547248 0.134745 F\n0.478781 0.952752 0.634745 F\n0.978781 0.452752 0.865255 F\n0.013965 0.859321 0.901111 F\n0.978781 0.047248 0.365255 F\n0.486035 0.640680 0.401111 F\n0.513965 0.359321 0.598889 F\n0.486035 0.859321 0.901111 F\n0.986035 0.140679 0.098889 F\n0.021219 0.952752 0.634745 F\n0.013965 0.640680 0.401111 F\n0.250000 0.117950 0.805390 F\n0.750000 0.882050 0.194610 F\n0.750000 0.617950 0.694610 F\n0.250000 0.382050 0.305390 F\n0.986035 0.359321 0.598889 F\n0.521219 0.047248 0.365255 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Te",
"F"
],
"chemical_system": "F-Na-Te",
"density": 3.7777349670150273,
"density_atomic": 0.06484616192150955,
"volume": 431.7911680554276,
"volume_molar": 9.286811403409288,
"formula_full": "Na4 Te4 F20",
"formula_reduced": "NaTeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-89132",
"created_at": "2022-09-04T14:35:42.482511Z",
"updated_at": "2022-09-04T14:35:42.482534Z",
"structure_string": "Na12 Nb4 O16\n1.0\n5.623291 0.002622 -1.243043\n-2.188177 8.210025 -1.325734\n0.009634 -0.003257 8.599423\nNa Nb O\n12 4 16\ndirect\n0.499999 0.499999 0.500000 Na\n-0.000001 0.376030 0.623969 Na\n-0.000000 0.500000 0.000000 Na\n0.999999 0.623969 0.376031 Na\n0.479365 0.626617 0.880965 Na\n0.520633 0.119034 0.373382 Na\n0.520633 0.373382 0.119035 Na\n0.479365 0.880965 0.626618 Na\n0.500000 -0.000000 0.000000 Na\n0.499999 0.740454 0.259546 Na\n0.499999 0.259545 0.740454 Na\n-0.000000 -0.000000 0.500000 Na\n-0.000001 0.866003 0.133997 Nb\n0.971072 0.738371 0.738371 Nb\n0.028926 0.261628 0.261629 Nb\n0.999999 0.133996 0.866003 Nb\n0.233013 0.246352 0.464963 O\n0.800330 0.887044 0.887045 O\n0.227589 0.875204 0.335786 O\n0.227589 0.335786 0.875205 O\n0.772409 0.124795 0.664214 O\n0.789902 0.347286 0.347287 O\n0.210096 0.652713 0.652713 O\n0.193838 0.767156 0.991729 O\n0.806160 0.008270 0.232843 O\n0.806160 0.232843 0.008271 O\n0.193838 0.991728 0.767157 O\n0.233013 0.464963 0.246352 O\n0.766985 0.753647 0.535037 O\n0.766985 0.535036 0.753648 O\n0.199668 0.112955 0.112955 O\n0.772409 0.664213 0.124795 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 3.777847263995253,
"density_atomic": 0.08057872878722411,
"volume": 397.12713865838066,
"volume_molar": 7.473611026927519,
"formula_full": "Na12 Nb4 O16",
"formula_reduced": "Na3NbO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5978663000000002,
"spacegroup": 12
}
]
}