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=spacegroup&page=452",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=450",
"results": [
{
"id": "jvasp-9695",
"created_at": "2022-09-04T14:37:07.587354Z",
"updated_at": "2022-09-04T14:37:07.587371Z",
"structure_string": "Li5 Re1 O6\n1.0\n4.950251 0.005627 -0.859568\n-1.314149 4.173728 -2.510683\n0.002548 -0.000476 5.044851\nLi Re O\n5 1 6\ndirect\n0.000000 0.333695 0.666305 Li\n0.000000 0.666305 0.333696 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.178185 0.821814 Li\n0.500000 0.821815 0.178186 Li\n0.000000 0.000000 0.000000 Re\n0.235703 0.386941 0.077751 O\n0.235703 0.077751 0.386941 O\n0.764297 0.922250 0.613059 O\n0.764297 0.613059 0.922249 O\n0.771065 0.230877 0.230877 O\n0.228935 0.769123 0.769123 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Re",
"O"
],
"chemical_system": "Li-O-Re",
"density": 5.04680690049055,
"density_atomic": 0.11508403647412224,
"volume": 104.27162939056552,
"volume_molar": 5.2328202455378205,
"formula_full": "Li5 Re1 O6",
"formula_reduced": "Li5ReO6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.3489107500000004,
"spacegroup": 12
},
{
"id": "jvasp-7825",
"created_at": "2022-09-04T14:37:07.636364Z",
"updated_at": "2022-09-04T14:37:07.636384Z",
"structure_string": "Ge2 Pt6\n1.0\n4.944664 0.032865 2.750140\n-1.547010 4.696546 2.750140\n0.050913 0.070868 5.525492\nGe Pt\n2 6\ndirect\n0.725318 0.725320 0.496049 Ge\n0.274681 0.274682 0.503950 Ge\n0.731351 0.268650 0.499999 Pt\n0.268648 0.731353 0.499999 Pt\n0.272698 0.272698 0.059861 Pt\n0.727302 0.727304 0.940138 Pt\n0.199659 0.800342 -0.000001 Pt\n0.800341 0.199660 -0.000000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt",
"density": 17.24743195891215,
"density_atomic": 0.06315107223737972,
"volume": 126.68035104659276,
"volume_molar": 9.536086319109938,
"formula_full": "Ge2 Pt6",
"formula_reduced": "GePt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0927850375,
"spacegroup": 12
},
{
"id": "jvasp-11033",
"created_at": "2022-09-04T14:37:11.672188Z",
"updated_at": "2022-09-04T14:37:11.672210Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n2.841641 0.000154 0.000314\n1.420298 7.442154 0.070705\n1.419721 2.007779 7.724382\nMg Mn O\n2 4 8\ndirect\n0.309476 0.216927 0.164024 Mg\n0.685807 0.815297 0.813021 Mg\n0.608828 0.618563 0.163661 Mn\n0.145240 0.203842 0.505545 Mn\n0.849987 0.828392 0.471502 Mn\n0.386427 0.413667 0.813385 Mn\n0.852767 0.578274 0.716062 O\n0.442061 0.782294 0.333460 O\n0.553175 0.249948 0.643584 O\n0.142486 0.453956 0.260984 O\n0.125262 0.748771 0.000621 O\n0.757962 0.130644 0.353313 O\n0.870002 0.283454 0.976425 O\n0.237293 0.901587 0.623736 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.039142369879404,
"density_atomic": 0.0859174048261687,
"volume": 162.94719362538152,
"volume_molar": 7.009220974707301,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.52853536182266,
"spacegroup": 12
},
{
"id": "jvasp-50663",
"created_at": "2022-09-04T14:37:07.720893Z",
"updated_at": "2022-09-04T14:37:07.720911Z",
"structure_string": "Li3 Ti1 P2 O8\n1.0\n4.954826 -0.003537 -0.007425\n1.930836 4.563309 -0.000766\n0.042996 0.019957 6.124318\nLi Ti P O\n3 1 2 8\ndirect\n0.671466 0.166277 0.274147 Li\n0.002087 0.497112 0.501604 Li\n0.332783 0.827881 0.729089 Li\n0.002184 0.497016 0.001617 Ti\n0.651627 0.146481 0.762476 P\n0.352743 0.847558 0.240765 P\n0.247005 0.741857 0.443001 O\n0.247748 0.742562 0.030718 O\n0.307251 0.256592 0.768046 O\n0.761736 0.802112 0.768048 O\n0.242648 0.191925 0.235179 O\n0.697127 0.737428 0.235206 O\n0.756640 0.251455 0.972520 O\n0.757363 0.252192 0.560239 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.1004982301071413,
"density_atomic": 0.10107109061730346,
"volume": 138.51636421941595,
"volume_molar": 5.958321734948217,
"formula_full": "Li3 Ti1 P2 O8",
"formula_reduced": "Li3Ti(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.5657283809523808,
"spacegroup": 12
},
{
"id": "jvasp-48164",
"created_at": "2022-09-04T14:37:07.719961Z",
"updated_at": "2022-09-04T14:37:07.719986Z",
"structure_string": "Li1 Fe1 Co2 O6\n1.0\n6.239929 0.029214 -0.011358\n0.625648 2.752556 -0.000014\n-1.376502 0.312790 5.624138\nLi Fe Co O\n1 1 2 6\ndirect\n0.333318 0.333336 0.833314 Li\n0.333338 0.333329 0.333325 Fe\n0.675105 0.662447 0.657818 Co\n0.991564 0.004220 0.008862 Co\n0.016370 0.491829 0.228343 O\n0.350653 0.824681 0.560720 O\n0.316019 0.841983 0.105935 O\n0.676928 0.161543 0.877716 O\n0.650302 0.174839 0.438337 O\n0.989740 0.505125 0.788965 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.762907024118483,
"density_atomic": 0.10367981922475217,
"volume": 96.45078545442365,
"volume_molar": 5.8084020641909975,
"formula_full": "Li1 Fe1 Co2 O6",
"formula_reduced": "LiFe(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.87574283,
"spacegroup": 12
},
{
"id": "jvasp-9405",
"created_at": "2022-09-04T14:37:07.749805Z",
"updated_at": "2022-09-04T14:37:07.749834Z",
"structure_string": "Tl1 Cr5 Se8\n1.0\n3.599155 -0.000000 -0.698789\n-0.430523 8.695999 -2.217439\n-0.004371 -0.003546 9.595726\nTl Cr Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.157377 0.474828 0.314753 Cr\n0.203953 0.835588 0.407904 Cr\n0.796049 0.164412 0.592097 Cr\n0.842626 0.525172 0.685248 Cr\n0.925332 0.343175 0.850661 Se\n0.330831 0.007177 0.661661 Se\n0.669171 0.992822 0.338339 Se\n0.415045 0.678808 0.830087 Se\n0.584957 0.321191 0.169913 Se\n0.737864 0.656556 0.475725 Se\n0.262138 0.343444 0.524275 Se\n0.074671 0.656825 0.149340 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 6.06121962137283,
"density_atomic": 0.04662416305782061,
"volume": 300.27348657471885,
"volume_molar": 12.916351447492337,
"formula_full": "Tl1 Cr5 Se8",
"formula_reduced": "TlCr5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.0026376095238105,
"spacegroup": 12
},
{
"id": "jvasp-22662",
"created_at": "2022-09-04T14:37:07.770731Z",
"updated_at": "2022-09-04T14:37:07.770755Z",
"structure_string": "Na1 N3\n1.0\n3.441348 -0.009587 0.850456\n1.528117 3.083476 0.850456\n-0.112713 -0.069719 5.225806\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.607843 0.607842 0.276917 N\n0.392159 0.392158 0.723085 N\n0.500001 0.500000 0.500001 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.929800629382694,
"density_atomic": 0.07150625689057118,
"volume": 55.93916076632786,
"volume_molar": 8.421837503277397,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6454721875,
"spacegroup": 12
},
{
"id": "jvasp-51906",
"created_at": "2022-09-04T14:37:08.237192Z",
"updated_at": "2022-09-04T14:37:08.237218Z",
"structure_string": "Fe2 Cl6\n1.0\n3.373471 -0.155757 0.122441\n0.318843 6.989577 0.194971\n1.458789 1.415785 8.122721\nFe Cl\n2 6\ndirect\n0.111916 0.685806 0.145735 Fe\n0.382527 0.317259 0.604764 Fe\n0.249106 0.250232 0.872344 Cl\n0.911807 0.567461 0.545792 Cl\n0.245343 0.752814 0.878149 Cl\n-0.082753 0.108175 0.535472 Cl\n0.582637 0.435622 0.204676 Cl\n0.577161 0.894922 0.214962 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 2.838786068057461,
"density_atomic": 0.04215819411426804,
"volume": 189.76144894433406,
"volume_molar": 14.284626954554165,
"formula_full": "Fe2 Cl6",
"formula_reduced": "FeCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.757681925625,
"spacegroup": 12
},
{
"id": "jvasp-85219",
"created_at": "2022-09-04T14:37:08.247868Z",
"updated_at": "2022-09-04T14:37:08.247900Z",
"structure_string": "La5 B2 N6\n1.0\n3.699512 -0.000000 0.000000\n-1.849757 6.049615 -1.711583\n0.000000 0.030416 9.053317\nLa B N\n5 2 6\ndirect\n0.374822 0.749645 0.626730 La\n0.691712 0.383427 0.818360 La\n0.000000 0.000000 0.000000 La\n0.308287 0.616574 0.181641 La\n0.625178 0.250356 0.373271 La\n0.945516 0.891036 0.411197 B\n0.054483 0.108965 0.588804 B\n0.974227 0.948456 0.263616 N\n0.656308 0.312616 0.079484 N\n0.170661 0.341323 0.582723 N\n0.025772 0.051545 0.736385 N\n0.343691 0.687385 0.920517 N\n0.829339 0.658678 0.417278 N\n",
"nsites": 13,
"nelements": 3,
"elements": [
"La",
"B",
"N"
],
"chemical_system": "B-La-N",
"density": 6.551631399192926,
"density_atomic": 0.06409893813206308,
"volume": 202.8114720592733,
"volume_molar": 9.395071019105778,
"formula_full": "La5 B2 N6",
"formula_reduced": "La5(BN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 4.542900743589743,
"spacegroup": 12
},
{
"id": "jvasp-33072",
"created_at": "2022-09-04T14:37:08.279066Z",
"updated_at": "2022-09-04T14:37:08.279095Z",
"structure_string": "Sn1 H4 N2 F2\n1.0\n5.175388 1.649511 -1.474281\n-5.175388 1.649511 1.474281\n-0.027183 0.000000 5.035699\nSn H N F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.389044 0.610955 0.561991 H\n0.610956 0.389044 0.438009 H\n0.294823 0.705176 0.776497 H\n0.705176 0.294823 0.223503 H\n0.389850 0.610149 0.767083 N\n0.610149 0.389850 0.232917 N\n0.121249 0.878750 0.749567 F\n0.878751 0.121249 0.250434 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sn",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Sn",
"density": 3.651077290817685,
"density_atomic": 0.10483902031914252,
"volume": 85.84589948096541,
"volume_molar": 5.74417878159094,
"formula_full": "Sn1 H4 N2 F2",
"formula_reduced": "SnH4(NF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.613196529444444,
"spacegroup": 12
},
{
"id": "jvasp-49865",
"created_at": "2022-09-04T14:37:08.442190Z",
"updated_at": "2022-09-04T14:37:08.442217Z",
"structure_string": "Sm2 Ge2 O7\n1.0\n3.618977 0.039947 4.671949\n-1.064360 4.900240 0.000000\n-3.618977 -0.039947 4.671949\nSm Ge O\n2 2 7\ndirect\n0.302560 0.500000 0.302560 Sm\n0.697441 0.500000 0.697441 Sm\n0.227749 0.914834 0.772251 Ge\n0.772251 0.085166 0.227749 Ge\n0.398821 0.719357 0.914167 O\n0.085833 0.719357 0.601179 O\n0.393627 0.225552 0.606374 O\n0.606374 0.774448 0.393627 O\n0.000000 0.000000 0.000000 O\n0.601179 0.280643 0.085833 O\n0.914167 0.280643 0.398821 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sm",
"density": 5.578388585007542,
"density_atomic": 0.06622491676989711,
"volume": 166.10062400259758,
"volume_molar": 9.09346670970434,
"formula_full": "Sm2 Ge2 O7",
"formula_reduced": "Sm2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.122866740909091,
"spacegroup": 12
},
{
"id": "jvasp-77079",
"created_at": "2022-09-04T14:37:08.714348Z",
"updated_at": "2022-09-04T14:37:08.714367Z",
"structure_string": "Be2 Ir1 Rh1\n1.0\n-9.286054 -0.543154 -2.244329\n-6.747970 0.186902 0.588942\n-5.111310 2.240896 -0.101525\nBe Ir Rh\n2 1 1\ndirect\n0.749806 0.000955 0.997776 Be\n0.250193 0.999044 0.002227 Be\n0.500000 -0.000001 0.000001 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ir",
"Rh"
],
"chemical_system": "Be-Ir-Rh",
"density": 11.247394441740111,
"density_atomic": 0.08651964981492873,
"volume": 46.232272189684835,
"volume_molar": 6.960431269522887,
"formula_full": "Be2 Ir1 Rh1",
"formula_reduced": "Be2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.694121575,
"spacegroup": 12
}
]
}