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_atomic&page=4141",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4139",
"results": [
{
"id": "jvasp-106865",
"created_at": "2022-09-04T14:38:49.013251Z",
"updated_at": "2022-09-04T14:38:49.013275Z",
"structure_string": "Co2 Cu1 N2\n1.0\n2.853496 -0.009455 -1.445827\n-1.785743 2.655666 -0.000000\n-0.005756 -0.003871 7.058688\nCo Cu N\n2 1 2\ndirect\n0.847698 0.423849 0.135981 Co\n0.152306 0.576154 0.864019 Co\n-0.000001 0.000000 0.500000 Cu\n0.412693 0.206347 0.809407 N\n0.587311 0.793656 0.190594 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Cu",
"N"
],
"chemical_system": "Co-Cu-N",
"density": 6.519803689651613,
"density_atomic": 0.0937400679262518,
"volume": 53.33898417839482,
"volume_molar": 6.424297414354132,
"formula_full": "Co2 Cu1 N2",
"formula_reduced": "Co2CuN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.534275749999999,
"spacegroup": 166
},
{
"id": "jvasp-90720",
"created_at": "2022-09-04T14:36:16.858765Z",
"updated_at": "2022-09-04T14:36:16.858789Z",
"structure_string": "Nb2 Cr2 N4\n1.0\n3.046796 0.000000 0.000000\n0.000000 3.046796 0.000000\n-0.000000 0.000000 9.193430\nNb Cr N\n2 2 4\ndirect\n0.000000 0.500001 0.670166 Nb\n0.500001 0.000000 0.329834 Nb\n0.000000 0.500001 0.052314 Cr\n0.500001 0.000000 0.947686 Cr\n0.000000 0.500001 0.253623 N\n0.500001 0.000000 0.746377 N\n0.000000 0.000000 0.500000 N\n0.500001 0.500001 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"N"
],
"chemical_system": "Cr-N-Nb",
"density": 6.728986316977639,
"density_atomic": 0.09374015339009273,
"volume": 85.34229687793011,
"volume_molar": 6.424291557257546,
"formula_full": "Nb2 Cr2 N4",
"formula_reduced": "NbCrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.068220825,
"spacegroup": 129
},
{
"id": "jvasp-92772",
"created_at": "2022-09-04T14:36:10.722598Z",
"updated_at": "2022-09-04T14:36:10.722624Z",
"structure_string": "Sm1 Ni1 O3\n1.0\n3.764238 0.000000 0.000000\n-0.000000 3.764238 0.000000\n-0.000000 -0.000000 3.764238\nSm Ni O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sm",
"density": 8.002730376631952,
"density_atomic": 0.0937429854726835,
"volume": 53.337324118581535,
"volume_molar": 6.424097472076819,
"formula_full": "Sm1 Ni1 O3",
"formula_reduced": "SmNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.629202355,
"spacegroup": 221
},
{
"id": "jvasp-44063",
"created_at": "2022-09-04T14:36:57.712386Z",
"updated_at": "2022-09-04T14:36:57.712420Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.825543 -0.004562 0.010815\n0.105781 5.591850 0.073460\n0.134254 0.711081 7.520206\nLi V O F\n1 6 7 5\ndirect\n0.495275 0.904464 0.091769 Li\n0.000322 -0.002336 0.997819 V\n0.028506 0.330644 0.667355 V\n0.483806 0.854285 0.660134 V\n0.494731 0.481361 0.994709 V\n0.552121 0.178268 0.357840 V\n0.951444 0.666823 0.326569 V\n0.815288 0.369771 0.437652 O\n0.789366 0.690079 0.093866 O\n0.699267 0.866243 0.432423 O\n0.312137 0.795112 0.899952 O\n0.309418 0.148478 0.562494 O\n0.184727 0.292892 0.902013 O\n0.680487 0.185875 0.108133 O\n0.696311 0.530388 0.754249 F\n0.200897 0.966672 0.237279 F\n0.196696 0.646549 0.562020 F\n0.302951 0.475268 0.241841 F\n0.802235 0.031666 0.760294 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.257121444376023,
"density_atomic": 0.09374971217147264,
"volume": 202.66728888989127,
"volume_molar": 6.423636532328996,
"formula_full": "Li1 V6 O7 F5",
"formula_reduced": "LiV6O7F5",
"formula_anonymous": "AB5C6D7",
"energy_above_hull": 2.716464795394737,
"spacegroup": 1
},
{
"id": "jvasp-29788",
"created_at": "2022-09-04T14:37:07.255327Z",
"updated_at": "2022-09-04T14:37:07.255354Z",
"structure_string": "Sc2 H2 O4\n1.0\n1.630331 6.463587 0.000000\n-1.630331 6.463587 0.000000\n0.000000 0.000000 4.048765\nSc H O\n2 2 4\ndirect\n0.675580 0.675580 0.249101 Sc\n0.324420 0.324420 0.749101 Sc\n0.015210 0.015210 0.435361 H\n0.984791 0.984791 0.935360 H\n0.285439 0.285439 0.250078 O\n0.714562 0.714562 0.750077 O\n0.068882 0.068882 0.254858 O\n0.931118 0.931118 0.754858 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 3.0343365325416753,
"density_atomic": 0.09375361791690266,
"volume": 85.33004035205019,
"volume_molar": 6.423368925706578,
"formula_full": "Sc2 H2 O4",
"formula_reduced": "ScHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8045630625,
"spacegroup": 36
},
{
"id": "jvasp-36775",
"created_at": "2022-09-04T14:37:57.922513Z",
"updated_at": "2022-09-04T14:37:57.922535Z",
"structure_string": "Li2 Cu2 O4\n1.0\n0.979957 3.041674 -0.000000\n-0.000000 0.000000 5.278551\n5.304469 -0.030280 -0.000000\nLi Cu O\n2 2 4\ndirect\n0.280373 0.250000 0.439253 Li\n0.719626 0.750000 0.560748 Li\n0.004110 0.250000 0.991781 Cu\n0.995889 0.750000 0.008220 Cu\n0.126247 0.991829 0.747505 O\n0.126247 0.508171 0.747505 O\n0.873751 0.008171 0.252496 O\n0.873751 0.491829 0.252496 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 3.989105320339944,
"density_atomic": 0.09376110155301066,
"volume": 85.32322964952539,
"volume_molar": 6.422856238090593,
"formula_full": "Li2 Cu2 O4",
"formula_reduced": "LiCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9719568625,
"spacegroup": 63
},
{
"id": "jvasp-4669",
"created_at": "2022-09-04T14:38:20.097122Z",
"updated_at": "2022-09-04T14:38:20.097156Z",
"structure_string": "U1 Fe3 B2\n1.0\n2.549403 -4.415695 0.000000\n2.549403 4.415695 -0.000000\n0.000000 -0.000000 2.842195\nU Fe B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n0.499999 0.499999 0.500001 Fe\n-0.000001 0.500000 0.500001 Fe\n0.500000 -0.000001 0.500001 Fe\n0.666667 0.333332 0.000000 B\n0.333332 0.666667 0.000000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Fe",
"B"
],
"chemical_system": "B-Fe-U",
"density": 11.085226969743319,
"density_atomic": 0.09376263911618093,
"volume": 63.99137285977437,
"volume_molar": 6.422750913120082,
"formula_full": "U1 Fe3 B2",
"formula_reduced": "UFe3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.587852944444444,
"spacegroup": 191
},
{
"id": "jvasp-48571",
"created_at": "2022-09-04T14:37:03.802292Z",
"updated_at": "2022-09-04T14:37:03.802310Z",
"structure_string": "V4 O6 F4\n1.0\n4.714419 0.346381 -0.085430\n-0.295152 5.318037 0.115856\n-2.196674 -1.851403 5.936113\nV O F\n4 6 4\ndirect\n0.901334 0.298598 0.803628 V\n0.593818 0.232682 0.195581 V\n0.406183 0.767319 0.804419 V\n0.098667 0.701403 0.196372 V\n0.864403 0.369867 0.097293 O\n0.720150 0.866705 0.086583 O\n0.449811 0.519552 0.281179 O\n0.550191 0.480449 0.718821 O\n0.279851 0.133296 0.913417 O\n0.135598 0.630134 0.902707 O\n0.901189 0.241716 0.497728 F\n0.670594 0.967398 0.704498 F\n0.329408 0.032603 0.295502 F\n0.098813 0.758285 0.502272 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.178876719560674,
"density_atomic": 0.09376322976995742,
"volume": 149.31226275319418,
"volume_molar": 6.422710453527432,
"formula_full": "V4 O6 F4",
"formula_reduced": "V2O3F2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.165647066428572,
"spacegroup": 2
},
{
"id": "jvasp-63419",
"created_at": "2022-09-04T14:35:41.539432Z",
"updated_at": "2022-09-04T14:35:41.539463Z",
"structure_string": "Pu4 B16 Mo4\n1.0\n3.658247 0.000000 0.000000\n0.000000 6.012767 0.000000\n0.000000 0.000000 11.636305\nPu B Mo\n4 16 4\ndirect\n0.000000 0.125800 0.849388 Pu\n0.000000 0.874201 0.150612 Pu\n0.000000 0.374201 0.349388 Pu\n0.000000 0.625800 0.650612 Pu\n0.500000 0.974426 0.692944 B\n0.500000 0.025575 0.307057 B\n0.500000 0.525575 0.192943 B\n0.500000 0.474426 0.807057 B\n0.500000 0.884949 0.547314 B\n0.500000 0.115052 0.452687 B\n0.500000 0.615052 0.047314 B\n0.500000 0.384948 0.952687 B\n0.500000 0.866353 0.967991 B\n0.500000 0.133648 0.032010 B\n0.500000 0.633648 0.467990 B\n0.500000 0.366352 0.532010 B\n0.500000 0.787450 0.813347 B\n0.500000 0.212550 0.186653 B\n0.500000 0.712551 0.313347 B\n0.500000 0.287450 0.686653 B\n0.000000 0.131467 0.585769 Mo\n0.000000 0.868534 0.414232 Mo\n0.000000 0.368534 0.085769 Mo\n0.000000 0.631467 0.914232 Mo\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pu",
"B",
"Mo"
],
"chemical_system": "B-Mo-Pu",
"density": 9.943836145596661,
"density_atomic": 0.09376672457699689,
"volume": 255.95433890081458,
"volume_molar": 6.422471070806038,
"formula_full": "Pu4 B16 Mo4",
"formula_reduced": "PuB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.792832705555556,
"spacegroup": 55
},
{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Br",
"O"
],
"chemical_system": "Br-Ca-H-O",
"density": 2.283582096585659,
"density_atomic": 0.09377079188840912,
"volume": 223.9503322632789,
"volume_molar": 6.422192495896357,
"formula_full": "Ca1 H12 Br2 O6",
"formula_reduced": "CaH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.642868553809524,
"spacegroup": 150
},
{
"id": "jvasp-89125",
"created_at": "2022-09-04T14:36:20.689950Z",
"updated_at": "2022-09-04T14:36:20.689976Z",
"structure_string": "V4 W2 O12\n1.0\n4.664805 -0.000000 0.000000\n0.000000 4.664805 0.000000\n0.000000 0.000000 8.820962\nV W O\n4 2 12\ndirect\n0.000000 0.000000 0.333434 V\n0.499998 0.499998 0.833433 V\n0.499998 0.499998 0.166567 V\n0.000000 0.000000 0.666566 V\n0.000000 0.000000 0.000000 W\n0.499998 0.499998 0.499999 W\n0.702532 0.702532 0.000000 O\n0.298933 0.298933 0.337135 O\n0.201066 0.798933 0.837136 O\n0.701064 0.701064 0.662864 O\n0.297467 0.297467 0.000000 O\n0.798933 0.201066 0.837136 O\n0.798933 0.201066 0.162864 O\n0.201066 0.798933 0.162864 O\n0.701064 0.701064 0.337135 O\n0.298933 0.298933 0.662864 O\n0.202534 0.797465 0.499999 O\n0.797465 0.202534 0.499999 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"W",
"O"
],
"chemical_system": "O-V-W",
"density": 6.604506723584005,
"density_atomic": 0.09377553836189798,
"volume": 191.9477116786524,
"volume_molar": 6.4218674349374485,
"formula_full": "V4 W2 O12",
"formula_reduced": "V2WO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.814491044444445,
"spacegroup": 136
},
{
"id": "jvasp-42259",
"created_at": "2022-09-04T14:36:17.661900Z",
"updated_at": "2022-09-04T14:36:17.661926Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.276435 0.004461 -0.018457\n0.021726 5.714264 -0.053793\n-0.020645 1.373805 7.768086\nLi Mn B O\n2 4 4 12\ndirect\n0.343810 0.049128 0.257847 Li\n0.656189 0.950872 0.742154 Li\n0.177070 0.194625 0.559984 Mn\n0.294838 0.348949 0.916390 Mn\n0.705161 0.651050 0.083611 Mn\n0.822929 0.805375 0.440017 Mn\n0.824474 0.151685 0.096629 B\n0.676093 0.321851 0.418305 B\n0.323906 0.678149 0.581695 B\n0.175524 0.848315 0.903372 B\n0.197430 0.861173 0.472859 O\n0.575304 0.692449 0.614642 O\n0.184122 0.488338 0.666482 O\n0.672859 0.333631 0.010755 O\n0.327140 0.666369 0.989246 O\n0.081477 0.169425 0.104662 O\n0.424695 0.307551 0.385359 O\n0.802569 0.138827 0.527141 O\n0.305243 0.045349 0.810835 O\n0.694756 0.954651 0.189166 O\n0.815877 0.511662 0.333519 O\n0.918522 0.830574 0.895338 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.3187270215966267,
"density_atomic": 0.09377601233701789,
"volume": 234.60157295807238,
"volume_molar": 6.421834976686006,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391694604493208,
"spacegroup": 2
}
]
}