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=id&page=4373",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4371",
"results": [
{
"id": "jvasp-93289",
"created_at": "2022-09-04T14:35:51.175745Z",
"updated_at": "2022-09-04T14:35:51.175770Z",
"structure_string": "Ce3 Al1 N1\n1.0\n4.849570 -0.000000 0.000000\n0.000000 4.849570 0.000000\n-0.000000 -0.000000 4.849570\nCe Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"N"
],
"chemical_system": "Al-Ce-N",
"density": 6.716715767030153,
"density_atomic": 0.043838966488622656,
"volume": 114.05378366521549,
"volume_molar": 13.736958788850329,
"formula_full": "Ce3 Al1 N1",
"formula_reduced": "Ce3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.69001251,
"spacegroup": 221
},
{
"id": "jvasp-9329",
"created_at": "2022-09-04T14:38:03.835995Z",
"updated_at": "2022-09-04T14:38:03.836020Z",
"structure_string": "Ba2 Y1 Ag3 O8\n1.0\n4.103570 0.000000 0.000000\n0.000000 4.103570 -0.000000\n0.000000 -0.000000 12.159088\nBa Y Ag O\n2 1 3 8\ndirect\n0.500000 0.500000 0.163348 Ba\n0.500000 0.500000 0.836633 Ba\n0.500000 0.500000 0.500003 Y\n0.000000 0.000000 0.357123 Ag\n0.000000 0.000000 -0.000004 Ag\n0.000000 0.000000 0.642881 Ag\n0.000000 0.500000 0.388774 O\n0.500000 0.000000 0.388774 O\n0.500000 0.000000 0.999990 O\n0.000000 0.000000 0.170089 O\n0.000000 0.500000 0.611246 O\n0.500000 0.000000 0.611246 O\n0.000000 0.000000 0.829906 O\n0.000000 0.500000 0.999990 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O-Y",
"density": 6.610998790301521,
"density_atomic": 0.06837594501936069,
"volume": 204.7503693884727,
"volume_molar": 8.807396750852698,
"formula_full": "Ba2 Y1 Ag3 O8",
"formula_reduced": "Ba2YAg3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.729238369285714,
"spacegroup": 123
},
{
"id": "jvasp-93290",
"created_at": "2022-09-04T14:35:54.330048Z",
"updated_at": "2022-09-04T14:35:54.330081Z",
"structure_string": "Sm2 Zn4\n1.0\n4.162995 -0.000000 1.799594\n1.996821 5.245801 1.095678\n-0.001735 0.008260 5.718931\nSm Zn\n2 4\ndirect\n0.531623 0.718378 0.218378 Sm\n0.468379 0.281622 0.781621 Sm\n0.834318 0.712641 0.618725 Zn\n0.165684 0.287359 0.381274 Zn\n0.834318 0.118726 0.212640 Zn\n0.165684 0.881274 0.787359 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.476506539943159,
"density_atomic": 0.04803851097044342,
"volume": 124.8997914130105,
"volume_molar": 12.536068746396477,
"formula_full": "Sm2 Zn4",
"formula_reduced": "SmZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3639024416666668,
"spacegroup": 74
},
{
"id": "jvasp-93291",
"created_at": "2022-09-04T14:35:57.346400Z",
"updated_at": "2022-09-04T14:35:57.346424Z",
"structure_string": "Mg1 Hg5\n1.0\n3.754690 0.000000 0.000000\n1.877344 7.489420 0.000000\n0.000000 0.000000 5.295844\nMg Hg\n1 5\ndirect\n0.783046 0.433907 0.499999 Mg\n0.324805 0.350393 0.000000 Hg\n0.660680 0.678641 0.000000 Hg\n-0.005071 0.010140 0.000000 Hg\n0.444544 0.110916 0.499999 Hg\n0.125332 0.749339 0.499999 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.454335659109097,
"density_atomic": 0.04028967783575465,
"volume": 148.92151842116155,
"volume_molar": 14.947105768752799,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0050499999999999,
"spacegroup": 38
},
{
"id": "jvasp-93292",
"created_at": "2022-09-04T14:36:01.366635Z",
"updated_at": "2022-09-04T14:36:01.366650Z",
"structure_string": "Mg5 Hg1\n1.0\n-4.699214 2.713091 0.000000\n0.000000 -5.426184 0.000000\n-1.566406 2.713091 5.135169\nMg Hg\n5 1\ndirect\n0.996443 -0.000000 -0.000000 Mg\n0.670221 0.336889 -0.000000 Mg\n0.333332 0.663113 -0.000000 Mg\n0.500662 0.832669 0.498015 Mg\n0.166004 0.167327 0.501984 Mg\n0.833333 0.499998 0.499998 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 4.084938911388898,
"density_atomic": 0.045822287932359006,
"volume": 130.94064636966525,
"volume_molar": 13.14238339405845,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"id": "jvasp-93293",
"created_at": "2022-09-04T14:36:03.212858Z",
"updated_at": "2022-09-04T14:36:03.212884Z",
"structure_string": "Y1 Mg5\n1.0\n3.992049 -0.000000 -0.000000\n-1.996024 2.604249 5.076417\n0.000000 -4.804086 4.840753\nY Mg\n1 5\ndirect\n0.361110 0.722218 0.777762 Y\n0.033195 0.066389 0.948410 Mg\n0.686084 0.372167 0.118410 Mg\n0.361096 0.722190 0.277786 Mg\n0.036183 0.072367 0.437071 Mg\n0.689000 0.378002 0.607226 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.3660860202549543,
"density_atomic": 0.04062779692949297,
"volume": 147.6821401468711,
"volume_molar": 14.822710595041746,
"formula_full": "Y1 Mg5",
"formula_reduced": "YMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1714750214285714,
"spacegroup": 12
},
{
"id": "jvasp-93294",
"created_at": "2022-09-04T14:36:05.781668Z",
"updated_at": "2022-09-04T14:36:05.781694Z",
"structure_string": "Li5 Mg1\n1.0\n-4.557744 2.631413 0.000000\n0.000007 -5.262817 0.000180\n-1.519349 2.631238 4.982988\nLi Mg\n5 1\ndirect\n-0.000266 -0.000000 0.000000 Li\n0.666933 0.333601 0.000002 Li\n0.333334 0.666399 -0.000002 Li\n0.499712 0.833617 0.500853 Li\n0.166948 0.166384 0.499148 Li\n0.833332 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 0.8198072954785812,
"density_atomic": 0.05019821994054955,
"volume": 119.52615067039994,
"volume_molar": 11.99672173063528,
"formula_full": "Li5 Mg1",
"formula_reduced": "Li5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.626297619047619,
"spacegroup": 155
},
{
"id": "jvasp-93295",
"created_at": "2022-09-04T14:36:09.559643Z",
"updated_at": "2022-09-04T14:36:09.559659Z",
"structure_string": "Mn3 N2\n1.0\n-2.020383 -2.020383 -0.000000\n-2.020383 2.020383 0.000000\n2.020383 0.000000 -5.966708\nMn N\n3 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.331224 0.331224 0.662449 Mn\n0.668775 0.668775 0.337552 Mn\n0.159724 0.159724 0.319449 N\n0.840276 0.840276 0.680552 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.5733378659105695,
"density_atomic": 0.1026450032284844,
"volume": 48.71157721014597,
"volume_molar": 5.866959492022143,
"formula_full": "Mn3 N2",
"formula_reduced": "Mn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.853727644827585,
"spacegroup": 139
},
{
"id": "jvasp-93296",
"created_at": "2022-09-04T14:36:12.615907Z",
"updated_at": "2022-09-04T14:36:12.615926Z",
"structure_string": "Ti2 Cu3\n1.0\n3.140705 0.000000 -0.000000\n0.000000 3.140705 -0.000000\n-1.570353 -1.570353 7.068587\nTi Cu\n2 3\ndirect\n0.604482 0.604482 0.208961 Ti\n0.395521 0.395521 0.791040 Ti\n0.000000 0.000000 0.000000 Cu\n0.795106 0.795106 0.590209 Cu\n0.204897 0.204897 0.409792 Cu\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 6.820131533534872,
"density_atomic": 0.07171055848835638,
"volume": 69.72473936054826,
"volume_molar": 8.397843897670679,
"formula_full": "Ti2 Cu3",
"formula_reduced": "Ti2Cu3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3428656033333335,
"spacegroup": 139
},
{
"id": "jvasp-93297",
"created_at": "2022-09-04T14:36:15.840361Z",
"updated_at": "2022-09-04T14:36:15.840397Z",
"structure_string": "Li2 Cu1 O2\n1.0\n-0.000000 -2.900577 -0.000000\n-3.660476 0.000000 -0.000000\n1.830238 1.450288 -4.648386\nLi Cu O\n2 1 2\ndirect\n0.290229 0.790230 0.580459 Li\n0.709772 0.209771 0.419542 Li\n0.000000 0.500001 0.000000 Cu\n0.355518 0.355518 0.711037 O\n0.644483 0.644483 0.288964 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 3.6817021361436293,
"density_atomic": 0.10130849347651442,
"volume": 49.35420346724544,
"volume_molar": 5.944359207548641,
"formula_full": "Li2 Cu1 O2",
"formula_reduced": "Li2CuO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9217534899999996,
"spacegroup": 71
},
{
"id": "jvasp-93301",
"created_at": "2022-09-04T14:36:21.060020Z",
"updated_at": "2022-09-04T14:36:21.060047Z",
"structure_string": "Zn1 Fe2 N2\n1.0\n3.528988 0.000000 0.000000\n0.000000 3.528988 0.000000\n0.000000 0.000000 4.864512\nZn Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Zn\n0.500000 0.500000 0.985896 Fe\n0.500000 0.500000 0.514103 Fe\n0.500000 0.000000 0.510808 N\n0.000000 0.500000 0.989191 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"N"
],
"chemical_system": "Fe-N-Zn",
"density": 5.622136317072643,
"density_atomic": 0.08253351890236721,
"volume": 60.58144698658415,
"volume_molar": 7.296600023953752,
"formula_full": "Zn1 Fe2 N2",
"formula_reduced": "Zn(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3953615799999994,
"spacegroup": 115
},
{
"id": "jvasp-93303",
"created_at": "2022-09-04T14:36:20.550270Z",
"updated_at": "2022-09-04T14:36:20.550297Z",
"structure_string": "Ir2 O4\n1.0\n3.680631 0.000000 -1.361142\n-0.503366 3.646048 -1.361142\n-0.021607 -0.024794 5.598500\nIr O\n2 4\ndirect\n0.874999 0.625001 0.250000 Ir\n0.124999 0.375001 0.750000 Ir\n0.335676 0.585677 0.171352 O\n0.085675 0.835678 0.671352 O\n0.914323 0.164324 0.328649 O\n0.664322 0.414325 0.828649 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 9.944144310265864,
"density_atomic": 0.08012598148061262,
"volume": 74.8820780616805,
"volume_molar": 7.515840241479133,
"formula_full": "Ir2 O4",
"formula_reduced": "IrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5808527000000003,
"spacegroup": 141
}
]
}