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=1577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1575",
"results": [
{
"id": "jvasp-79776",
"created_at": "2022-09-04T14:37:15.415683Z",
"updated_at": "2022-09-04T14:37:15.415729Z",
"structure_string": "U1 Al2 Cu1\n1.0\n4.366878 0.000000 -1.763751\n-0.712383 4.308378 -1.763792\n-0.686200 -0.809017 4.588896\nU Al Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.249996 0.500001 Al\n0.250001 0.750005 0.500001 Al\n0.500001 0.500000 0.000001 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-U",
"density": 7.991769324354598,
"density_atomic": 0.0541461802024235,
"volume": 73.87409388891604,
"volume_molar": 11.122004797912703,
"formula_full": "U1 Al2 Cu1",
"formula_reduced": "UAl2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2788955125,
"spacegroup": 225
},
{
"id": "jvasp-9425",
"created_at": "2022-09-04T14:37:15.415864Z",
"updated_at": "2022-09-04T14:37:15.415889Z",
"structure_string": "Mg2 Sb4 O12\n1.0\n4.708545 0.000000 0.000000\n-0.000000 4.708545 0.000000\n0.000000 0.000000 9.386642\nMg Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.832489 Sb\n0.000000 0.000000 0.332490 Sb\n0.500000 0.500000 0.167510 Sb\n0.000000 0.000000 0.667510 Sb\n0.691023 0.691023 0.000000 O\n0.808976 0.191023 0.500000 O\n0.191023 0.808976 0.500000 O\n0.308976 0.308976 0.000000 O\n0.802674 0.197325 0.829219 O\n0.697324 0.697324 0.329219 O\n0.197325 0.802674 0.170781 O\n0.302675 0.302675 0.329219 O\n0.302675 0.302675 0.670781 O\n0.697324 0.697324 0.670781 O\n0.802674 0.197325 0.170781 O\n0.197325 0.802674 0.829219 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.806088196243302,
"density_atomic": 0.08649456121973961,
"volume": 208.10557041003958,
"volume_molar": 6.962450210829719,
"formula_full": "Mg2 Sb4 O12",
"formula_reduced": "Mg(SbO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.999775805555556,
"spacegroup": 136
},
{
"id": "jvasp-2712",
"created_at": "2022-09-04T14:37:16.018695Z",
"updated_at": "2022-09-04T14:37:16.018705Z",
"structure_string": "K1 Os1 F6\n1.0\n4.906800 -0.016763 -0.632764\n-0.717478 4.854091 -0.632765\n-0.014518 -0.016762 4.947411\nK Os F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Os\n0.924740 0.324515 0.216989 F\n0.324514 0.216989 0.924740 F\n0.783011 0.075261 0.675486 F\n0.675486 0.783012 0.075260 F\n0.075260 0.675486 0.783011 F\n0.216988 0.924740 0.324513 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Os",
"F"
],
"chemical_system": "F-K-Os",
"density": 4.8446990892484925,
"density_atomic": 0.06798454784723697,
"volume": 117.67379872814932,
"volume_molar": 8.858102246310303,
"formula_full": "K1 Os1 F6",
"formula_reduced": "KOsF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.323800586875,
"spacegroup": 148
},
{
"id": "jvasp-36306",
"created_at": "2022-09-04T14:37:16.048925Z",
"updated_at": "2022-09-04T14:37:16.048951Z",
"structure_string": "Be2 Si2 P4\n1.0\n-5.141695 0.000000 0.000000\n0.000000 5.141695 -0.000000\n2.570847 -2.570847 -5.131991\nBe Si P\n2 2 4\ndirect\n0.749999 0.249999 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.249999 0.749999 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.108710 0.124999 0.750000 P\n0.874999 0.358710 0.250000 P\n0.375000 0.891288 0.250000 P\n0.641288 0.624999 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Si",
"P"
],
"chemical_system": "Be-P-Si",
"density": 2.4244545347575106,
"density_atomic": 0.058964616539141236,
"volume": 135.67458705831706,
"volume_molar": 10.213143260250746,
"formula_full": "Be2 Si2 P4",
"formula_reduced": "BeSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.614776425,
"spacegroup": 122
},
{
"id": "jvasp-80453",
"created_at": "2022-09-04T14:37:16.065664Z",
"updated_at": "2022-09-04T14:37:16.065672Z",
"structure_string": "Cr1 Tc1 Ge2\n1.0\n-8.413362 0.000000 -4.857457\n-8.545001 0.127936 5.085462\n-5.713098 8.137770 0.180462\nCr Tc Ge\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Tc\n0.745785 -0.000000 0.000000 Ge\n0.254215 -0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Tc",
"Ge"
],
"chemical_system": "Cr-Ge-Tc",
"density": 0.7187183931260749,
"density_atomic": 0.0058632897572163546,
"volume": 682.210868919948,
"volume_molar": 102.7092470159459,
"formula_full": "Cr1 Tc1 Ge2",
"formula_reduced": "CrTcGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6342477,
"spacegroup": 71
},
{
"id": "jvasp-79634",
"created_at": "2022-09-04T14:37:15.396507Z",
"updated_at": "2022-09-04T14:37:15.396525Z",
"structure_string": "Tm1 Tl1 Se2\n1.0\n-2.054259 -3.558080 -0.000000\n2.054259 -3.558080 -0.000000\n0.000000 -2.372053 7.733741\nTm Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tl\n0.265928 0.265928 0.202215 Se\n0.734071 0.734071 0.797785 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"Se"
],
"chemical_system": "Se-Tl-Tm",
"density": 7.802743017124129,
"density_atomic": 0.03538094799026301,
"volume": 113.05519572570007,
"volume_molar": 17.020857557737905,
"formula_full": "Tm1 Tl1 Se2",
"formula_reduced": "TmTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5133233958333333,
"spacegroup": 166
},
{
"id": "jvasp-81616",
"created_at": "2022-09-04T14:37:15.397493Z",
"updated_at": "2022-09-04T14:37:15.397517Z",
"structure_string": "Sc2 Ag1 Sn1\n1.0\n-11.489260 2.503613 -2.544971\n-8.442822 0.434893 0.733013\n-7.029091 4.433544 -1.715646\nSc Ag Sn\n2 1 1\ndirect\n0.750074 -0.000023 -0.000024 Sc\n0.250032 -0.000059 -0.000059 Sc\n-0.000141 0.000109 0.000108 Ag\n0.500036 -0.000027 -0.000027 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sc-Sn",
"density": 6.2394551010792,
"density_atomic": 0.047489492935656054,
"volume": 84.2291579196189,
"volume_molar": 12.680996127205345,
"formula_full": "Sc2 Ag1 Sn1",
"formula_reduced": "Sc2AgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.213562365,
"spacegroup": 225
},
{
"id": "jvasp-9869",
"created_at": "2022-09-04T14:37:15.423466Z",
"updated_at": "2022-09-04T14:37:15.423494Z",
"structure_string": "Ca4 Ni4 O8\n1.0\n2.981522 0.235404 -0.037595\n0.835334 8.108951 -0.343758\n0.061775 0.718619 8.644962\nCa Ni O\n4 4 8\ndirect\n0.140722 0.208527 0.978450 Ca\n0.835233 0.819687 0.041635 Ca\n0.688411 0.114770 0.343634 Ca\n0.287455 0.913425 0.676453 Ca\n0.970111 0.549697 0.830857 Ni\n0.626045 0.240245 0.666826 Ni\n0.349774 0.787930 0.353256 Ni\n0.005975 0.478517 0.189212 Ni\n0.430632 0.630592 0.194982 O\n0.820848 0.846663 0.485079 O\n0.155016 0.181523 0.535012 O\n0.545422 0.397623 0.825082 O\n0.396363 0.698400 0.856605 O\n0.721990 0.045361 0.841071 O\n0.579691 0.329812 0.163478 O\n0.253918 0.982840 0.179027 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.17519561709491,
"density_atomic": 0.07690931333092618,
"volume": 208.03722341343806,
"volume_molar": 7.8301840169705725,
"formula_full": "Ca4 Ni4 O8",
"formula_reduced": "CaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8715899550000001,
"spacegroup": 12
},
{
"id": "jvasp-30513",
"created_at": "2022-09-04T14:37:15.440012Z",
"updated_at": "2022-09-04T14:37:15.440040Z",
"structure_string": "Cu2 O4 F2\n1.0\n-0.000000 -0.000000 4.617432\n4.290441 0.682846 0.000000\n-0.338369 4.331243 -0.000000\nCu O F\n2 4 2\ndirect\n0.000000 0.713805 0.713806 Cu\n0.500000 0.286194 0.286194 Cu\n0.726973 0.030669 0.765953 O\n0.773027 0.234046 0.969331 O\n0.226973 0.969331 0.234048 O\n0.273027 0.765953 0.030670 O\n0.250000 0.379024 0.620975 F\n0.750000 0.620975 0.379025 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O",
"density": 4.378918382906484,
"density_atomic": 0.09208914069386702,
"volume": 86.87234933155139,
"volume_molar": 6.53946894783118,
"formula_full": "Cu2 O4 F2",
"formula_reduced": "CuO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9539605852272728,
"spacegroup": 20
},
{
"id": "jvasp-79848",
"created_at": "2022-09-04T14:37:15.446037Z",
"updated_at": "2022-09-04T14:37:15.446057Z",
"structure_string": "Li1 Er1 Hg2\n1.0\n-0.000000 3.507715 3.507715\n3.507715 0.000000 3.507715\n3.507715 3.507715 0.000000\nLi Er Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Li\n0.249999 0.249999 0.249999 Er\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Er",
"Hg"
],
"chemical_system": "Er-Hg-Li",
"density": 11.068810795663332,
"density_atomic": 0.046340113789375886,
"volume": 86.31830336413752,
"volume_molar": 12.995524325580442,
"formula_full": "Li1 Er1 Hg2",
"formula_reduced": "LiErHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10179",
"created_at": "2022-09-04T14:37:15.457808Z",
"updated_at": "2022-09-04T14:37:15.457827Z",
"structure_string": "Mg4 Ge4 N8\n1.0\n5.224429 0.000000 0.000000\n0.000000 5.550308 0.000000\n0.000000 0.000000 6.649657\nMg Ge N\n4 4 8\ndirect\n0.000646 0.584811 0.876558 Mg\n0.500646 0.915189 0.376558 Mg\n0.500646 0.415189 0.123442 Mg\n0.000646 0.084811 0.623443 Mg\n0.007417 0.074106 0.125784 Ge\n0.507417 0.925894 0.874217 Ge\n0.507417 0.425894 0.625784 Ge\n0.007417 0.574106 0.374216 Ge\n0.403727 0.599396 0.857723 N\n0.903727 0.400605 0.142278 N\n0.903727 0.900605 0.357722 N\n0.403727 0.099395 0.642278 N\n0.368211 0.561585 0.391921 N\n0.368211 0.061584 0.108080 N\n0.868211 0.938416 0.891921 N\n0.868211 0.438416 0.608080 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"N"
],
"chemical_system": "Ge-Mg-N",
"density": 4.304467022479305,
"density_atomic": 0.08297835540501988,
"volume": 192.82136795678238,
"volume_molar": 7.257483871071856,
"formula_full": "Mg4 Ge4 N8",
"formula_reduced": "MgGeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3809478749999995,
"spacegroup": 33
},
{
"id": "jvasp-10147",
"created_at": "2022-09-04T14:37:15.461932Z",
"updated_at": "2022-09-04T14:37:15.461962Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.137908 -0.000000 0.000000\n-0.000000 5.519130 0.000000\n0.000000 0.000000 8.727643\nSb O F\n4 4 4\ndirect\n0.250000 0.281409 0.570373 Sb\n0.750000 0.718591 0.429627 Sb\n0.750000 0.781409 0.929627 Sb\n0.250000 0.218591 0.070373 Sb\n0.250000 0.592816 0.445655 O\n0.250000 0.907184 0.945655 O\n0.750000 0.092816 0.054345 O\n0.750000 0.407184 0.554345 O\n0.750000 0.945714 0.723190 F\n0.750000 0.554286 0.223191 F\n0.250000 0.445714 0.776809 F\n0.250000 0.054286 0.276809 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.2238395579075885,
"density_atomic": 0.06020503571891173,
"volume": 199.31887518556084,
"volume_molar": 10.002719354102654,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5061932941666669,
"spacegroup": 62
}
]
}