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=-updated_at&page=133",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=131",
"results": [
{
"id": "jvasp-119936",
"created_at": "2022-09-04T14:38:51.937415Z",
"updated_at": "2022-09-04T14:38:51.937434Z",
"structure_string": "Ba1 C1 N2\n1.0\n4.309160 0.000000 0.000000\n0.000000 4.309160 0.000000\n-0.000000 -0.000000 3.552518\nBa C N\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Ba\n0.500000 0.500000 0.500001 C\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"C",
"N"
],
"chemical_system": "Ba-C-N",
"density": 4.464383117921184,
"density_atomic": 0.06063710583577994,
"volume": 65.96620905412232,
"volume_molar": 9.931444908187776,
"formula_full": "Ba1 C1 N2",
"formula_reduced": "BaCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5840756175,
"spacegroup": 123
},
{
"id": "jvasp-120052",
"created_at": "2022-09-04T14:38:51.930545Z",
"updated_at": "2022-09-04T14:38:51.930572Z",
"structure_string": "Os1 C1 N1\n1.0\n2.419316 1.396793 1.698732\n-2.419316 1.396793 1.698732\n0.000000 -2.793585 1.698732\nOs C N\n1 1 1\ndirect\n0.978648 0.978648 0.978651 Os\n0.602993 0.602993 0.602995 C\n0.363358 0.363358 0.363359 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Os",
"C",
"N"
],
"chemical_system": "C-N-Os",
"density": 10.42555850608045,
"density_atomic": 0.0871004888571081,
"volume": 34.44297545702209,
"volume_molar": 6.914014879847079,
"formula_full": "Os1 C1 N1",
"formula_reduced": "OsCN",
"formula_anonymous": "ABC",
"energy_above_hull": 5.522816083333333,
"spacegroup": 160
},
{
"id": "jvasp-117633",
"created_at": "2022-09-04T14:38:51.930029Z",
"updated_at": "2022-09-04T14:38:51.930049Z",
"structure_string": "Be1 Tl1 Br1\n1.0\n5.408343 -0.000000 -0.000000\n-2.704171 4.683762 -0.000000\n0.000000 0.000000 3.244695\nBe Tl Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Tl\n0.333333 0.666666 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Br"
],
"chemical_system": "Be-Br-Tl",
"density": 5.92553364124572,
"density_atomic": 0.03649961885513542,
"volume": 82.19263910417263,
"volume_molar": 16.499188070706932,
"formula_full": "Be1 Tl1 Br1",
"formula_reduced": "BeTlBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4966909349999998,
"spacegroup": 187
},
{
"id": "jvasp-116851",
"created_at": "2022-09-04T14:38:51.929086Z",
"updated_at": "2022-09-04T14:38:51.929107Z",
"structure_string": "Sr6 W2 O12\n1.0\n6.868896 -0.014724 -0.207297\n-0.213204 6.865603 -0.207297\n-0.014304 -0.014724 6.872009\nSr W O\n6 2 12\ndirect\n0.064705 0.253756 0.563629 Sr\n0.436372 0.935295 0.746244 Sr\n0.746245 0.436372 0.935295 Sr\n0.253756 0.563629 0.064705 Sr\n0.563629 0.064705 0.253756 Sr\n0.935296 0.746245 0.436371 Sr\n0.500001 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.546657 0.426270 0.228943 O\n0.270698 0.941724 0.068376 O\n0.771058 0.453344 0.573730 O\n0.573732 0.771057 0.453343 O\n0.426270 0.228944 0.546656 O\n0.058277 0.931623 0.729302 O\n0.729303 0.058277 0.931623 O\n0.453345 0.573731 0.771056 O\n0.941724 0.068378 0.270697 O\n0.068378 0.270698 0.941724 O\n0.228944 0.546657 0.426269 O\n0.931624 0.729303 0.058276 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"W",
"O"
],
"chemical_system": "O-Sr-W",
"density": 5.562524178551384,
"density_atomic": 0.06172567865885255,
"volume": 324.01425848286965,
"volume_molar": 9.756297364154324,
"formula_full": "Sr6 W2 O12",
"formula_reduced": "Sr3WO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.180397993,
"spacegroup": 148
},
{
"id": "jvasp-117625",
"created_at": "2022-09-04T14:38:51.928939Z",
"updated_at": "2022-09-04T14:38:51.928967Z",
"structure_string": "Ba3 Se1\n1.0\n4.338195 0.551697 -0.371328\n0.600346 -8.014236 -4.870288\n-0.123522 -4.571102 -8.208125\nBa Se\n3 1\ndirect\n0.908198 0.734557 0.053009 Ba\n0.408192 0.069940 0.387770 Ba\n0.408190 0.394445 0.714090 Ba\n0.908176 0.917532 0.237300 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 4.2188973741306635,
"density_atomic": 0.020700486492502588,
"volume": 193.23217362300838,
"volume_molar": 29.09178372296289,
"formula_full": "Ba3 Se1",
"formula_reduced": "Ba3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2802604849999999,
"spacegroup": 38
},
{
"id": "jvasp-118925",
"created_at": "2022-09-04T14:38:51.924515Z",
"updated_at": "2022-09-04T14:38:51.924554Z",
"structure_string": "Mg2 N1\n1.0\n3.051621 0.000000 -0.422071\n0.000000 3.710630 0.000000\n-0.730341 0.000000 5.716280\nMg N\n2 1\ndirect\n-0.147004 0.000000 -0.098607 Mg\n0.080336 0.000000 0.365271 Mg\n0.466667 0.000000 0.133336 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 1.635274541581206,
"density_atomic": 0.047181599193424614,
"volume": 63.584110146442214,
"volume_molar": 12.763748713373976,
"formula_full": "Mg2 N1",
"formula_reduced": "Mg2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9819537833333328,
"spacegroup": 65
},
{
"id": "jvasp-120427",
"created_at": "2022-09-04T14:38:51.923143Z",
"updated_at": "2022-09-04T14:38:51.923170Z",
"structure_string": "Tm2 B8 Ir8\n1.0\n5.401342 0.000000 0.000000\n0.000000 5.401342 0.000000\n0.000000 0.000000 7.465205\nTm B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.500000 0.828268 0.848009 B\n0.328268 0.000000 0.348009 B\n0.671732 0.000000 0.348009 B\n0.500000 0.171732 0.848009 B\n-0.000000 0.328268 0.651992 B\n0.171732 0.500000 0.151992 B\n0.828268 0.500000 0.151992 B\n-0.000000 0.671732 0.651992 B\n0.500000 0.749150 0.145633 Ir\n0.250850 0.500000 0.854367 Ir\n0.749150 0.500000 0.854367 Ir\n-0.000000 0.750850 0.354367 Ir\n-0.000000 0.249150 0.354367 Ir\n0.249150 0.000000 0.645634 Ir\n0.750850 0.000000 0.645634 Ir\n0.500000 0.250850 0.145633 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tm",
"B",
"Ir"
],
"chemical_system": "B-Ir-Tm",
"density": 14.959720033774763,
"density_atomic": 0.08264706085990071,
"volume": 217.79358893975342,
"volume_molar": 7.286575829004301,
"formula_full": "Tm2 B8 Ir8",
"formula_reduced": "Tm(BIr)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.910407664814814,
"spacegroup": 137
},
{
"id": "jvasp-117935",
"created_at": "2022-09-04T14:38:51.920486Z",
"updated_at": "2022-09-04T14:38:51.920512Z",
"structure_string": "Y1 C2 N1\n1.0\n3.468369 0.000000 0.000000\n-0.000000 3.468369 -0.000000\n-0.000000 0.000000 3.563212\nY C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Y\n0.000000 0.499999 0.000030 C\n0.499999 0.000000 -0.000030 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"C",
"N"
],
"chemical_system": "C-N-Y",
"density": 4.91738982542579,
"density_atomic": 0.09331849740984072,
"volume": 42.86395635403992,
"volume_molar": 6.453319467363119,
"formula_full": "Y1 C2 N1",
"formula_reduced": "YC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.461084675,
"spacegroup": 123
},
{
"id": "jvasp-119703",
"created_at": "2022-09-04T14:38:51.912168Z",
"updated_at": "2022-09-04T14:38:51.912187Z",
"structure_string": "La4 Mo2 O12\n1.0\n6.289488 0.000000 0.000000\n-0.000000 4.716588 2.917108\n0.000000 0.060953 9.085675\nLa Mo O\n4 2 12\ndirect\n0.587916 0.783512 0.251418 La\n0.087916 0.216488 0.248582 La\n0.912084 0.783512 0.751418 La\n0.412084 0.216488 0.748582 La\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.148169 0.159703 0.547764 O\n0.648169 0.840297 0.952235 O\n0.733194 0.293577 0.571074 O\n0.944837 0.601193 0.266701 O\n0.555163 0.601193 0.766701 O\n0.351831 0.159703 0.047764 O\n0.851831 0.840297 0.452235 O\n0.233193 0.706423 0.928926 O\n0.266807 0.706423 0.428926 O\n0.055163 0.398807 0.733299 O\n0.766807 0.293577 0.071074 O\n0.444837 0.398807 0.233299 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Mo",
"O"
],
"chemical_system": "La-Mo-O",
"density": 5.812309148412751,
"density_atomic": 0.0670621987130914,
"volume": 268.40754322727224,
"volume_molar": 8.97993336866899,
"formula_full": "La4 Mo2 O12",
"formula_reduced": "La2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.837719655555556,
"spacegroup": 14
},
{
"id": "jvasp-119701",
"created_at": "2022-09-04T14:38:51.907665Z",
"updated_at": "2022-09-04T14:38:51.907684Z",
"structure_string": "Tm2 Cr2 O8\n1.0\n5.640430 0.016654 -1.635900\n-3.178901 4.659326 -1.635900\n-0.008767 -0.016654 5.872865\nTm Cr O\n2 2 8\ndirect\n0.500000 0.500000 -0.000000 Tm\n0.750000 0.250000 0.499999 Tm\n0.250000 0.750001 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.823332 0.008777 0.185445 O\n0.887886 0.573332 0.314555 O\n0.258778 0.573333 0.685445 O\n0.823332 0.637887 0.814554 O\n0.362114 0.176668 0.185445 O\n0.426668 0.741223 0.314555 O\n0.426668 0.112114 0.685444 O\n0.991222 0.176668 0.814554 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Cr",
"O"
],
"chemical_system": "Cr-O-Tm",
"density": 6.130802723735134,
"density_atomic": 0.07774715433152897,
"volume": 154.34648513088555,
"volume_molar": 7.745802160578664,
"formula_full": "Tm2 Cr2 O8",
"formula_reduced": "TmCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4408326083333334,
"spacegroup": 141
},
{
"id": "jvasp-117485",
"created_at": "2022-09-04T14:38:51.906766Z",
"updated_at": "2022-09-04T14:38:51.906791Z",
"structure_string": "B2 H1\n1.0\n3.215280 -0.643735 -0.430055\n-0.556911 -3.648300 -0.973284\n0.894558 0.665919 -1.355736\nB H\n2 1\ndirect\n0.656509 0.328233 0.539430 B\n0.080414 0.556091 0.729651 B\n0.868405 0.942187 0.134604 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.1123549563200776,
"density_atomic": 0.16863808149432868,
"volume": 17.789576194276677,
"volume_molar": 3.5710443967559753,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5604183888888894,
"spacegroup": 12
},
{
"id": "jvasp-122611",
"created_at": "2022-09-04T14:38:51.904641Z",
"updated_at": "2022-09-04T14:38:51.904668Z",
"structure_string": "Sm1 Sn7\n1.0\n6.788914 -0.000000 -0.000000\n-0.000000 6.788914 -0.000000\n0.000000 -0.000000 6.788914\nSm Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Sm\n0.259413 0.259413 0.759412 Sn\n0.000000 0.500000 0.000000 Sn\n0.259413 0.740587 0.240587 Sn\n0.500000 0.000000 0.000000 Sn\n0.740587 0.259413 0.240587 Sn\n0.500000 0.500000 0.500000 Sn\n0.740587 0.740587 0.759412 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Sn"
],
"chemical_system": "Sm-Sn",
"density": 5.207907376704345,
"density_atomic": 0.025567547143891825,
"volume": 312.89665586521573,
"volume_molar": 23.553846311920108,
"formula_full": "Sm1 Sn7",
"formula_reduced": "SmSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.664687596875,
"spacegroup": 215
}
]
}