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=nelements&page=3575",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3573",
"results": [
{
"id": "jvasp-2460",
"created_at": "2022-09-04T14:36:46.671292Z",
"updated_at": "2022-09-04T14:36:46.671313Z",
"structure_string": "Nd2 O2 F2\n1.0\n3.814331 0.000509 5.859002\n1.739509 3.394588 5.859002\n0.000834 0.000509 6.991211\nNd O F\n2 2 2\ndirect\n0.757990 0.757992 0.757991 Nd\n0.242008 0.242009 0.242009 Nd\n0.878353 0.878355 0.878354 O\n0.121646 0.121646 0.121646 O\n0.369777 0.369778 0.369778 F\n0.630221 0.630223 0.630222 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"O",
"F"
],
"chemical_system": "F-Nd-O",
"density": 6.578012075219335,
"density_atomic": 0.06630287571913636,
"volume": 90.49381244663387,
"volume_molar": 9.082774607711153,
"formula_full": "Nd2 O2 F2",
"formula_reduced": "NdOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-101140",
"created_at": "2022-09-04T14:36:46.318160Z",
"updated_at": "2022-09-04T14:36:46.318168Z",
"structure_string": "Nd2 Fe1 Si3\n1.0\n4.062460 0.000000 0.000000\n-2.031229 3.518194 0.000000\n0.000000 0.000000 8.490956\nNd Fe Si\n2 1 3\ndirect\n0.333333 0.666666 0.243659 Nd\n0.333333 0.666666 0.756341 Nd\n0.666666 0.333333 -0.000000 Fe\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Si"
],
"chemical_system": "Fe-Nd-Si",
"density": 5.864366435856514,
"density_atomic": 0.04944083291266538,
"volume": 121.35717880397937,
"volume_molar": 12.180500216567538,
"formula_full": "Nd2 Fe1 Si3",
"formula_reduced": "Nd2FeSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.8963640500000003,
"spacegroup": 187
},
{
"id": "jvasp-18632",
"created_at": "2022-09-04T14:36:46.328100Z",
"updated_at": "2022-09-04T14:36:46.328124Z",
"structure_string": "Sr2 Cu2 Bi2\n1.0\n2.340392 -4.053677 0.000000\n2.340392 4.053677 0.000000\n0.000000 0.000000 8.830851\nSr Cu Bi\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.250000 Bi\n0.333333 0.666667 0.750000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Sr",
"density": 7.138186203013987,
"density_atomic": 0.035808073134005185,
"volume": 167.55997949250423,
"volume_molar": 16.817829704109563,
"formula_full": "Sr2 Cu2 Bi2",
"formula_reduced": "SrCuBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-79905",
"created_at": "2022-09-04T14:36:46.333031Z",
"updated_at": "2022-09-04T14:36:46.333056Z",
"structure_string": "Li1 Yb2 Hg1\n1.0\n0.000031 3.706941 3.706944\n3.706936 0.000027 3.706948\n3.706953 3.706962 0.000011\nYb Li Hg\n2 1 1\ndirect\n-0.000000 -0.000000 0.000001 Yb\n0.499999 0.500001 0.499999 Yb\n0.750000 0.749999 0.750000 Li\n0.250001 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Li",
"Hg"
],
"chemical_system": "Hg-Li-Yb",
"density": 9.023574474980762,
"density_atomic": 0.039263118446314416,
"volume": 101.87677796070412,
"volume_molar": 15.33790742636565,
"formula_full": "Li1 Yb2 Hg1",
"formula_reduced": "LiYb2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102320",
"created_at": "2022-09-04T14:36:46.353609Z",
"updated_at": "2022-09-04T14:36:46.353627Z",
"structure_string": "Tm2 Te1 S2\n1.0\n4.919882 -0.012249 -5.524574\n-0.464795 3.916569 -6.258403\n0.034032 0.012255 7.397726\nTm Te S\n2 1 2\ndirect\n0.831920 0.331917 0.499966 Tm\n0.168080 0.668082 0.500034 Tm\n0.000000 0.000000 0.000000 Te\n0.699368 0.699338 -0.000032 S\n0.300633 0.300662 0.000033 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Te",
"S"
],
"chemical_system": "S-Te-Tm",
"density": 6.121832975105001,
"density_atomic": 0.03480612715766049,
"volume": 143.6528682824038,
"volume_molar": 17.301955867487504,
"formula_full": "Tm2 Te1 S2",
"formula_reduced": "Tm2TeS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1850232533333331,
"spacegroup": 71
},
{
"id": "jvasp-104949",
"created_at": "2022-09-04T14:36:46.358564Z",
"updated_at": "2022-09-04T14:36:46.358590Z",
"structure_string": "Li2 Sn1 Pd1\n1.0\n3.901222 0.000000 2.252371\n1.300407 3.678107 2.252371\n-0.000000 -0.000000 4.504743\nLi Sn Pd\n2 1 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.750000 0.750001 0.749999 Li\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Pd"
],
"chemical_system": "Li-Pd-Sn",
"density": 6.140076194984405,
"density_atomic": 0.06188208648285367,
"volume": 64.63906159835646,
"volume_molar": 9.73163818849033,
"formula_full": "Li2 Sn1 Pd1",
"formula_reduced": "Li2SnPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.70980935,
"spacegroup": 216
},
{
"id": "jvasp-99921",
"created_at": "2022-09-04T14:36:46.414556Z",
"updated_at": "2022-09-04T14:36:46.414581Z",
"structure_string": "Th1 U1 S2\n1.0\n3.978687 -0.000000 -0.000000\n-0.000000 3.978687 0.000000\n-0.000000 0.000000 5.639964\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 9.935612292450099,
"density_atomic": 0.04480269199774609,
"volume": 89.28034949777637,
"volume_molar": 13.441470794440116,
"formula_full": "Th1 U1 S2",
"formula_reduced": "ThUS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8613504,
"spacegroup": 123
},
{
"id": "jvasp-15582",
"created_at": "2022-09-04T14:36:46.419106Z",
"updated_at": "2022-09-04T14:36:46.419133Z",
"structure_string": "Ca1 Si2 Cu2\n1.0\n3.814593 -0.000000 -1.446218\n-0.548301 3.774982 -1.446218\n-0.003680 -0.004253 5.744152\nCa Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.619576 0.619576 0.239151 Si\n0.380424 0.380425 0.760848 Si\n0.250000 0.750000 0.499999 Cu\n0.750000 0.250000 0.499999 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Cu"
],
"chemical_system": "Ca-Cu-Si",
"density": 4.486162377751931,
"density_atomic": 0.06048218043345081,
"volume": 82.6689772783829,
"volume_molar": 9.95688435311327,
"formula_full": "Ca1 Si2 Cu2",
"formula_reduced": "Ca(CuSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9798737039999998,
"spacegroup": 139
},
{
"id": "jvasp-7824",
"created_at": "2022-09-04T14:36:46.429733Z",
"updated_at": "2022-09-04T14:36:46.429757Z",
"structure_string": "Tm1 Sb1 Pt1\n1.0\n4.014301 -0.000000 2.317658\n1.338101 3.784719 2.317658\n0.000000 0.000000 4.635316\nTm Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Tm\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Tm",
"density": 11.454185371698841,
"density_atomic": 0.04259889505336658,
"volume": 70.42436185825225,
"volume_molar": 14.136847334785676,
"formula_full": "Tm1 Sb1 Pt1",
"formula_reduced": "TmSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2473172499999998,
"spacegroup": 216
},
{
"id": "jvasp-16069",
"created_at": "2022-09-04T14:36:46.432863Z",
"updated_at": "2022-09-04T14:36:46.432882Z",
"structure_string": "Sr1 P2 Rh2\n1.0\n3.783005 0.000000 -1.205288\n-0.384013 3.763465 -1.205288\n0.002907 0.003219 6.548576\nSr P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.640229 0.640229 0.280458 P\n0.359770 0.359770 0.719542 P\n0.750000 0.250000 0.500000 Rh\n0.250000 0.749999 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"P",
"Rh"
],
"chemical_system": "P-Rh-Sr",
"density": 6.327496244771871,
"density_atomic": 0.05361195244532548,
"volume": 93.2627851055993,
"volume_molar": 11.232832391511009,
"formula_full": "Sr1 P2 Rh2",
"formula_reduced": "Sr(PRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.190756661999999,
"spacegroup": 139
},
{
"id": "jvasp-102659",
"created_at": "2022-09-04T14:36:46.440377Z",
"updated_at": "2022-09-04T14:36:46.440393Z",
"structure_string": "Ti1 V1 Se4\n1.0\n3.469525 0.000000 0.000000\n0.000000 6.021638 0.018710\n-0.000000 -0.003245 6.104951\nTi V Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 -0.000000 V\n-0.000000 0.662476 0.747011 Se\n0.500001 0.170388 0.743393 Se\n0.500001 0.829613 0.256607 Se\n-0.000000 0.337525 0.252989 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"Se"
],
"chemical_system": "Se-Ti-V",
"density": 5.398357371137542,
"density_atomic": 0.04704177341484437,
"volume": 127.54621189741663,
"volume_molar": 12.801687357517158,
"formula_full": "Ti1 V1 Se4",
"formula_reduced": "TiVSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.385862666666667,
"spacegroup": 10
},
{
"id": "jvasp-54762",
"created_at": "2022-09-04T14:36:46.461210Z",
"updated_at": "2022-09-04T14:36:46.461231Z",
"structure_string": "Te1 H6 O6\n1.0\n4.971981 -0.327414 0.936109\n-0.338707 4.975711 0.343912\n-1.417997 -2.036956 4.674368\nTe H O\n1 6 6\ndirect\n0.990178 0.990187 0.994252 Te\n0.403441 0.166511 -0.171882 H\n0.817344 0.756721 0.518531 H\n0.764008 0.428216 0.073462 H\n0.576918 0.813806 0.160359 H\n0.162955 0.223603 0.469981 H\n0.216357 0.552168 0.914978 H\n0.207826 0.175231 0.780655 O\n0.807751 0.697892 0.682656 O\n0.716527 0.225168 -0.040520 O\n0.772536 0.805135 0.207858 O\n0.172596 0.282447 0.305870 O\n0.263840 0.755202 0.028991 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 3.026096413828796,
"density_atomic": 0.10316249501976046,
"volume": 126.01478858678136,
"volume_molar": 5.837529190086453,
"formula_full": "Te1 H6 O6",
"formula_reduced": "Te(HO)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.837749135897436,
"spacegroup": 2
}
]
}