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=654",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=652",
"results": [
{
"id": "jvasp-105378",
"created_at": "2022-09-04T14:36:54.657072Z",
"updated_at": "2022-09-04T14:36:54.657094Z",
"structure_string": "Ti4 Al2 C1 N1\n1.0\n3.036361 0.000000 0.000000\n-1.518180 2.629565 0.000000\n0.000000 -0.000000 13.606276\nTi Al C N\n4 2 1 1\ndirect\n0.666667 0.333334 0.415865 Ti\n0.333334 0.666668 0.584136 Ti\n0.333334 0.666668 0.914687 Ti\n0.666667 0.333334 0.085313 Ti\n0.666667 0.333334 0.748139 Al\n0.333334 0.666668 0.251861 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N-Ti",
"density": 4.14915745174509,
"density_atomic": 0.07363993484490762,
"volume": 108.63670665717895,
"volume_molar": 8.177819239904508,
"formula_full": "Ti4 Al2 C1 N1",
"formula_reduced": "Ti4Al2CN",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.224552772916667,
"spacegroup": 164
},
{
"id": "jvasp-52907",
"created_at": "2022-09-04T14:36:54.565408Z",
"updated_at": "2022-09-04T14:36:54.565429Z",
"structure_string": "Mg2 H12 N4 Cl4\n1.0\n-4.060868 4.048053 3.746728\n4.060868 -4.048053 3.746728\n4.060868 4.048053 -3.746728\nMg H N Cl\n2 12 4 4\ndirect\n0.750000 0.745123 0.995122 Mg\n0.250000 0.254878 0.004878 Mg\n0.670116 0.437927 0.390543 H\n0.952617 0.562074 0.232189 H\n0.170117 0.779573 0.232190 H\n0.329884 0.562074 0.609457 H\n0.047383 0.437927 0.767811 H\n0.452617 0.220428 0.390543 H\n0.547383 0.779573 0.609457 H\n0.073243 0.847118 0.420360 H\n0.573242 0.152883 0.226124 H\n0.926757 0.152883 0.579640 H\n0.426758 0.847118 0.773875 H\n0.829883 0.220428 0.767810 H\n0.483880 0.734005 0.717884 N\n0.983880 0.265997 0.749875 N\n0.516119 0.265997 0.282116 N\n0.016120 0.734005 0.250125 N\n0.991615 0.207698 0.216082 Cl\n0.491615 0.275533 0.783917 Cl\n0.508385 0.724467 0.216083 Cl\n0.008385 0.792302 0.783917 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-Mg-N",
"density": 1.7426351727601994,
"density_atomic": 0.08929876667875764,
"volume": 246.36398483690766,
"volume_molar": 6.743811794919834,
"formula_full": "Mg2 H12 N4 Cl4",
"formula_reduced": "MgH6(NCl)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.682866698636364,
"spacegroup": 74
},
{
"id": "jvasp-47572",
"created_at": "2022-09-04T14:37:00.549450Z",
"updated_at": "2022-09-04T14:37:00.549477Z",
"structure_string": "Li4 Co1 P2 O8\n1.0\n4.868176 0.040705 0.000433\n-0.811949 5.067494 0.117594\n-0.432864 -0.729078 6.110313\nLi Co P O\n4 1 2 8\ndirect\n0.155779 0.293845 0.517079 Li\n0.335084 0.612145 0.204750 Li\n0.664917 0.387855 0.795248 Li\n0.844222 0.706154 0.482920 Li\n0.000000 0.000000 0.000000 Co\n0.368255 0.827579 0.732706 P\n0.631747 0.172421 0.267293 P\n0.219549 0.698389 0.922436 O\n0.243162 0.678142 0.512058 O\n0.314359 0.191523 0.241387 O\n0.304525 0.116702 0.748530 O\n0.695477 0.883297 0.251469 O\n0.685643 0.808476 0.758611 O\n0.756840 0.321858 0.487940 O\n0.780452 0.301611 0.077563 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.0350284955839855,
"density_atomic": 0.09910374947008677,
"volume": 151.3565337356642,
"volume_molar": 6.076602340679056,
"formula_full": "Li4 Co1 P2 O8",
"formula_reduced": "Li4Co(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.442623326666667,
"spacegroup": 2
},
{
"id": "jvasp-105089",
"created_at": "2022-09-04T14:36:54.562446Z",
"updated_at": "2022-09-04T14:36:54.562474Z",
"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n4.643403 0.038970 -7.086702\n-0.381116 4.627900 -7.086702\n-0.035591 -0.038970 8.472383\nBa Cu S Cl\n2 1 2 2\ndirect\n0.354755 0.354756 -0.000000 Ba\n0.645244 0.645245 -0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.157407 0.157407 -0.000000 S\n0.842592 0.842593 -0.000001 S\n0.500000 -0.000000 0.500000 Cl\n-0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"S",
"Cl"
],
"chemical_system": "Ba-Cl-Cu-S",
"density": 4.374318390168128,
"density_atomic": 0.0389656170676508,
"volume": 179.64555746279686,
"volume_molar": 15.45501191356616,
"formula_full": "Ba2 Cu1 S2 Cl2",
"formula_reduced": "Ba2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.2609715035714285,
"spacegroup": 139
},
{
"id": "jvasp-102372",
"created_at": "2022-09-04T14:36:41.167383Z",
"updated_at": "2022-09-04T14:36:41.167404Z",
"structure_string": "K2 Li1 Ta1 Br6\n1.0\n6.469249 -0.000000 3.735023\n2.156416 6.099266 3.735023\n-0.000000 -0.000000 7.470045\nK Li Ta Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ta\n0.748174 0.748174 0.251826 Br\n0.748174 0.251827 0.251826 Br\n0.251827 0.251827 0.748174 Br\n0.748174 0.251827 0.748174 Br\n0.251827 0.748174 0.251826 Br\n0.251827 0.748174 0.748173 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ta",
"Br"
],
"chemical_system": "Br-K-Li-Ta",
"density": 4.199983732674383,
"density_atomic": 0.03392699075619539,
"volume": 294.75057401528915,
"volume_molar": 17.750294458108698,
"formula_full": "K2 Li1 Ta1 Br6",
"formula_reduced": "K2LiTaBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.4723569829999999,
"spacegroup": 225
},
{
"id": "jvasp-102626",
"created_at": "2022-09-04T14:36:54.521044Z",
"updated_at": "2022-09-04T14:36:54.521074Z",
"structure_string": "Er2 Fe4 Si2 C2\n1.0\n5.527967 0.000420 0.000000\n-4.288465 3.488192 0.000000\n-0.000000 -0.000000 6.700038\nEr Fe Si C\n2 4 2 2\ndirect\n0.549910 0.450089 0.250000 Er\n0.450089 0.549910 0.750000 Er\n0.834852 0.165149 0.061611 Fe\n0.165148 0.834851 0.938389 Fe\n0.165148 0.834851 0.561611 Fe\n0.834852 0.165149 0.438389 Fe\n0.269989 0.730010 0.250000 Si\n0.730011 0.269989 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Er-Fe-Si",
"density": 8.200638240851031,
"density_atomic": 0.07739561326312108,
"volume": 129.20628932809282,
"volume_molar": 7.780984614110608,
"formula_full": "Er2 Fe4 Si2 C2",
"formula_reduced": "ErFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.58595592,
"spacegroup": 63
},
{
"id": "jvasp-103897",
"created_at": "2022-09-04T14:37:00.387377Z",
"updated_at": "2022-09-04T14:37:00.387395Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n4.206046 -0.031450 -0.394669\n-1.008266 7.319048 -0.768481\n-0.131326 0.100467 7.844534\nCa H C O\n2 8 8 8\ndirect\n0.685931 0.283297 0.503141 Ca\n0.685932 0.283297 0.003141 Ca\n0.471038 0.683435 0.213173 H\n0.471037 0.683435 0.713173 H\n0.436435 0.796510 0.415060 H\n0.436435 0.796510 0.915060 H\n0.900803 0.883183 0.293129 H\n0.900801 0.883183 0.793129 H\n0.935371 0.770094 0.091241 H\n0.935371 0.770094 0.591241 H\n0.076218 0.843298 0.708952 C\n0.076218 0.843298 0.208953 C\n0.295603 0.723308 0.797343 C\n0.295603 0.723309 0.297343 C\n0.244669 0.022469 0.163916 C\n0.127169 0.544128 0.842367 C\n0.127170 0.544128 0.342367 C\n0.244669 0.022469 0.663916 C\n0.265073 0.463766 0.460148 O\n0.849613 0.475004 0.263497 O\n0.849615 0.475005 0.763497 O\n0.522221 0.091591 0.242787 O\n0.522221 0.091591 0.742788 O\n0.106790 0.102825 0.046124 O\n0.106788 0.102825 0.546123 O\n0.265072 0.463767 0.960146 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.149836377826961,
"density_atomic": 0.10778472764633446,
"volume": 241.22155863594844,
"volume_molar": 5.587193001739521,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.037564186153847,
"spacegroup": 2
},
{
"id": "jvasp-50487",
"created_at": "2022-09-04T14:36:47.943661Z",
"updated_at": "2022-09-04T14:36:47.943682Z",
"structure_string": "Li2 Te2 H2 O8\n1.0\n0.000000 4.577285 -0.504510\n6.065982 0.000000 0.000000\n0.000000 -0.378444 -4.967174\nLi Te H O\n2 2 2 8\ndirect\n0.539994 0.250001 0.472612 Li\n0.539994 0.749999 0.472612 Li\n0.001240 0.500000 0.991797 Te\n0.001238 0.000000 0.991798 Te\n0.069127 0.000000 0.515257 H\n0.069134 0.500000 0.515266 H\n0.232828 0.000000 0.649404 O\n0.232840 0.500000 0.649409 O\n0.246351 0.250001 0.118762 O\n0.246351 0.749998 0.118762 O\n0.777508 0.750002 0.835124 O\n0.777508 0.249997 0.835124 O\n0.787147 0.000000 0.317934 O\n0.787153 0.500000 0.317935 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Te",
"H",
"O"
],
"chemical_system": "H-Li-O-Te",
"density": 4.76511137403373,
"density_atomic": 0.10066483743089429,
"volume": 139.07537485083512,
"volume_molar": 5.982367740010665,
"formula_full": "Li2 Te2 H2 O8",
"formula_reduced": "LiTeHO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.07056310952381,
"spacegroup": 6
},
{
"id": "jvasp-104931",
"created_at": "2022-09-04T14:36:54.548622Z",
"updated_at": "2022-09-04T14:36:54.548642Z",
"structure_string": "Sm1 Zn1 Ag1 P2\n1.0\n4.152227 0.000000 0.000000\n-2.076113 3.595934 0.000000\n0.000000 0.000000 6.752482\nSm Zn Ag P\n1 1 1 2\ndirect\n0.333334 0.666666 0.013775 Sm\n0.000000 0.000000 0.626671 Zn\n0.666667 0.333333 0.364028 Ag\n0.666667 0.333333 0.753028 P\n0.000000 0.000000 0.242496 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sm",
"Zn",
"Ag",
"P"
],
"chemical_system": "Ag-P-Sm-Zn",
"density": 6.350569626262114,
"density_atomic": 0.04959224500909865,
"volume": 100.82221522906764,
"volume_molar": 12.143311436889219,
"formula_full": "Sm1 Zn1 Ag1 P2",
"formula_reduced": "SmZnAgP2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0573715069999998,
"spacegroup": 156
},
{
"id": "jvasp-104157",
"created_at": "2022-09-04T14:36:54.528764Z",
"updated_at": "2022-09-04T14:36:54.528790Z",
"structure_string": "H12 C18 S2 O2\n1.0\n5.855132 0.009787 1.920325\n4.419077 6.953526 0.221977\n0.068522 -0.110861 8.489343\nH C S O\n12 18 2 2\ndirect\n0.216220 0.420128 0.992630 H\n0.977003 0.721791 0.700205 H\n0.937899 0.439612 0.317397 H\n0.937899 0.439612 0.817397 H\n0.704531 0.736933 0.530317 H\n0.704531 0.736933 0.030317 H\n0.977004 0.721791 0.200205 H\n0.593044 0.218467 0.722530 H\n0.885126 0.233947 0.148790 H\n0.885126 0.233947 0.648790 H\n0.216219 0.420128 0.492630 H\n0.593044 0.218467 0.222530 H\n0.738625 0.230741 0.761667 C\n0.192006 0.924728 0.749562 C\n0.192006 0.924728 0.249562 C\n0.189168 0.658067 0.618719 C\n0.189168 0.658067 0.118719 C\n0.322961 0.489502 0.501941 C\n0.322962 0.489502 0.001941 C\n0.738625 0.230741 0.261667 C\n0.328060 0.746427 0.632721 C\n0.601369 0.664198 0.023588 C\n0.592934 0.410018 0.391926 C\n0.592935 0.410018 0.891926 C\n0.601369 0.664198 0.523588 C\n0.729239 0.500205 0.404181 C\n0.729239 0.500205 0.904181 C\n0.886911 0.046414 0.330650 C\n0.886912 0.046414 0.830650 C\n0.328060 0.746427 0.132721 C\n0.336822 0.018711 0.311375 S\n0.336822 0.018711 0.811374 S\n0.766393 0.002209 0.451130 O\n0.766391 0.002209 0.951131 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.56803659692538,
"density_atomic": 0.0989652756542901,
"volume": 343.55484562858504,
"volume_molar": 6.085104821045324,
"formula_full": "H12 C18 S2 O2",
"formula_reduced": "H6C9SO",
"formula_anonymous": "ABC6D9",
"energy_above_hull": 5.453828441176469,
"spacegroup": 1
},
{
"id": "jvasp-12566",
"created_at": "2022-09-04T14:37:04.977102Z",
"updated_at": "2022-09-04T14:37:04.977123Z",
"structure_string": "Sn1 H8 N2 Cl6\n1.0\n6.116390 0.000000 3.531299\n2.038797 5.766587 3.531299\n0.000000 0.000000 7.062599\nSn H N Cl\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.309946 0.309946 0.309946 H\n0.690054 0.690055 0.929837 H\n0.929838 0.690055 0.690054 H\n0.690054 0.690055 0.690054 H\n0.070163 0.309946 0.309946 H\n0.309946 0.070163 0.309946 H\n0.309946 0.309946 0.070163 H\n0.690055 0.929838 0.690054 H\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.247234 0.752766 0.247234 Cl\n0.752766 0.247234 0.752766 Cl\n0.247234 0.752766 0.752766 Cl\n0.752766 0.247234 0.247234 Cl\n0.752766 0.752766 0.247234 Cl\n0.247234 0.247234 0.752766 Cl\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Sn",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Sn",
"density": 2.4498172499065416,
"density_atomic": 0.06824492402586019,
"volume": 249.10277566662916,
"volume_molar": 8.824305757477315,
"formula_full": "Sn1 H8 N2 Cl6",
"formula_reduced": "SnH8(NCl3)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.3083748591176474,
"spacegroup": 225
},
{
"id": "jvasp-105552",
"created_at": "2022-09-04T14:37:00.367480Z",
"updated_at": "2022-09-04T14:37:00.367503Z",
"structure_string": "Ba2 Ce1 Zr1 O6\n1.0\n4.332871 0.000000 0.000000\n0.000000 4.332871 0.000000\n-0.000000 -0.000000 8.746732\nBa Ce Zr O\n2 1 1 6\ndirect\n0.500000 0.500000 0.262008 Ba\n0.500000 0.500000 0.737992 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.262881 O\n0.000000 0.000000 0.737119 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Zr",
"O"
],
"chemical_system": "Ba-Ce-O-Zr",
"density": 6.08753294574546,
"density_atomic": 0.0608979483611126,
"volume": 164.2091444641453,
"volume_molar": 9.888905820422579,
"formula_full": "Ba2 Ce1 Zr1 O6",
"formula_reduced": "Ba2CeZrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.104834294,
"spacegroup": 123
}
]
}