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=-created_at&page=399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=397",
"results": [
{
"id": "jvasp-112155",
"created_at": "2022-09-04T14:38:43.636876Z",
"updated_at": "2022-09-04T14:38:43.636902Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.622709 0.066865 -0.340052\n-0.533939 4.805114 -1.321658\n-0.418088 -0.385534 8.970439\nHf H C O\n1 6 5 4\ndirect\n0.273615 0.215276 0.267383 Hf\n0.828622 0.412906 0.977946 H\n0.244526 0.313157 0.907702 H\n0.896691 0.870135 0.701903 H\n0.477200 0.946584 0.760070 H\n0.556272 0.421225 0.703525 H\n-0.023281 0.336764 0.637140 H\n0.462890 0.849434 0.515246 C\n0.663129 0.991414 0.679099 C\n0.169250 0.731310 0.922422 C\n0.794585 0.303714 0.719455 C\n0.003354 0.430770 0.889780 C\n0.369041 -0.005073 0.420968 O\n0.380125 0.585553 0.469552 O\n0.172248 0.882474 0.065965 O\n0.766470 0.322667 0.224137 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.3293437304336018,
"density_atomic": 0.10395597241829845,
"volume": 153.91131098864756,
"volume_molar": 5.792972370811064,
"formula_full": "Hf1 H6 C5 O4",
"formula_reduced": "HfH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.687210437499999,
"spacegroup": 1
},
{
"id": "jvasp-112094",
"created_at": "2022-09-04T14:38:43.632764Z",
"updated_at": "2022-09-04T14:38:43.632787Z",
"structure_string": "H8 C20 S4 O4\n1.0\n3.628492 0.200610 0.523315\n2.505790 9.294313 2.109155\n1.266155 -0.334381 11.954303\nH C S O\n8 20 4 4\ndirect\n0.320476 0.609795 0.298983 H\n0.820014 0.609841 0.799049 H\n0.570512 0.109776 0.549018 H\n0.070547 0.109791 0.048994 H\n0.193954 0.863180 0.172270 H\n0.693108 0.863251 0.672377 H\n0.443813 0.363159 0.422298 H\n-0.056124 0.363187 0.922291 H\n0.377093 0.710691 0.438194 C\n0.877213 0.710697 0.938198 C\n0.627076 0.210703 0.688215 C\n0.127400 0.210677 0.188176 C\n0.226792 0.107390 0.291433 C\n-0.023132 0.607392 0.041426 C\n0.726506 0.107423 0.791473 C\n0.006634 0.452355 0.067327 C\n0.476409 0.607418 0.541463 C\n0.506273 0.452372 0.567357 C\n0.756247 0.952389 0.817376 C\n0.256477 0.952361 0.317335 C\n0.813188 0.706921 0.829637 C\n0.563431 0.206882 0.579617 C\n0.063612 0.206882 0.079589 C\n0.313468 0.706888 0.329588 C\n0.743865 0.845466 0.760376 C\n0.494212 0.345413 0.510334 C\n-0.005601 0.345418 0.010314 C\n0.244334 0.845421 0.260308 C\n0.346625 0.883730 0.455854 S\n0.846818 0.883729 0.955851 S\n0.596516 0.383753 0.705869 S\n0.096982 0.383714 0.205826 S\n0.797832 0.158824 0.868293 O\n0.547507 0.658839 0.618313 O\n0.048326 0.658780 0.118229 O\n0.298082 0.158787 0.368262 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.8583642374878746,
"density_atomic": 0.09145421071384804,
"volume": 393.6396117685685,
"volume_molar": 6.584869863283533,
"formula_full": "H8 C20 S4 O4",
"formula_reduced": "H2C5SO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 5.2018515,
"spacegroup": 8
},
{
"id": "jvasp-113030",
"created_at": "2022-09-04T14:38:43.631069Z",
"updated_at": "2022-09-04T14:38:43.631102Z",
"structure_string": "Cu4 Te4 Se4 I4\n1.0\n4.795132 0.000000 0.000000\n-0.000000 7.714241 3.677584\n0.000000 0.119312 12.845589\nCu Te Se I\n4 4 4 4\ndirect\n0.878796 0.795497 0.253810 Cu\n0.121203 0.204502 0.746190 Cu\n0.378796 0.204502 0.246190 Cu\n0.621203 0.795497 0.753810 Cu\n0.503756 0.713081 0.144658 Te\n0.496244 0.286918 0.855342 Te\n0.003756 0.286918 0.355342 Te\n0.996243 0.713081 0.644658 Te\n0.726645 0.426432 0.152432 Se\n0.273355 0.573567 0.847568 Se\n0.226645 0.573568 0.347568 Se\n0.773355 0.426432 0.652432 Se\n0.639947 0.904846 0.393862 I\n0.360052 0.095154 0.606138 I\n0.139948 0.095154 0.106138 I\n0.860052 0.904846 0.893862 I\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Te",
"Se",
"I"
],
"chemical_system": "Cu-I-Se-Te",
"density": 5.574302685216085,
"density_atomic": 0.033822015243898274,
"volume": 473.064655805408,
"volume_molar": 17.80538716150699,
"formula_full": "Cu4 Te4 Se4 I4",
"formula_reduced": "CuTeSeI",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.3519419645833334,
"spacegroup": 14
},
{
"id": "jvasp-112728",
"created_at": "2022-09-04T14:38:43.629352Z",
"updated_at": "2022-09-04T14:38:43.629383Z",
"structure_string": "Mg8 V2 N8\n1.0\n5.322021 0.003018 0.706549\n1.659894 4.774606 1.821865\n0.002257 0.001638 8.247278\nMg V N\n8 2 8\ndirect\n0.727909 0.626593 0.203953 Mg\n0.272090 0.373409 0.796048 Mg\n0.754419 0.245851 0.998110 Mg\n0.245580 0.754151 0.001890 Mg\n0.743926 0.468414 0.580525 Mg\n0.256073 0.531588 0.419476 Mg\n0.252931 0.944353 0.593174 Mg\n0.747068 0.055649 0.406827 Mg\n0.271521 0.156786 0.233789 V\n0.728478 0.843216 0.766211 V\n0.992226 0.697083 0.617761 N\n0.007773 0.302919 0.382239 N\n0.834506 0.851319 0.963271 N\n0.165494 0.148683 0.036730 N\n0.513110 0.612669 0.803859 N\n0.486889 0.387333 0.196141 N\n0.490879 0.816727 0.379813 N\n0.509120 0.183275 0.620188 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"V",
"N"
],
"chemical_system": "Mg-N-V",
"density": 3.2367973690348153,
"density_atomic": 0.08591679561069536,
"volume": 209.5050202007216,
"volume_molar": 7.009270675418827,
"formula_full": "Mg8 V2 N8",
"formula_reduced": "Mg4VN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.7216514888888885,
"spacegroup": 2
},
{
"id": "jvasp-116794",
"created_at": "2022-09-04T14:38:43.628751Z",
"updated_at": "2022-09-04T14:38:43.628777Z",
"structure_string": "Li6 Mn2 P4\n1.0\n4.058235 -0.000000 0.000000\n0.000000 4.058235 0.000000\n0.000000 0.000000 11.555724\nLi Mn P\n6 2 4\ndirect\n0.500001 0.500001 0.754173 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.745827 Li\n0.000000 0.000000 0.254173 Li\n0.500001 0.500001 -0.000000 Li\n0.500001 0.500001 0.245827 Li\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500000 Mn\n-0.000000 0.500001 0.114301 P\n-0.000000 0.500001 0.614301 P\n0.500001 0.000000 0.885698 P\n0.500001 0.000000 0.385698 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"P"
],
"chemical_system": "Li-Mn-P",
"density": 2.4030815759757314,
"density_atomic": 0.06305357299859646,
"volume": 190.31435379985706,
"volume_molar": 9.550831893593168,
"formula_full": "Li6 Mn2 P4",
"formula_reduced": "Li3MnP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1694380402298856,
"spacegroup": 137
},
{
"id": "jvasp-114900",
"created_at": "2022-09-04T14:38:43.628674Z",
"updated_at": "2022-09-04T14:38:43.628688Z",
"structure_string": "In1 Cu1 S2\n1.0\n1.939656 1.119861 6.168201\n-1.939656 1.119861 6.168201\n0.000000 -2.239722 6.168201\nIn Cu S\n1 1 2\ndirect\n0.995737 0.995737 0.995737 In\n0.136580 0.136580 0.136580 Cu\n0.260418 0.260418 0.260418 S\n0.760261 0.760261 0.760261 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-S",
"density": 5.00900531586498,
"density_atomic": 0.04975782508458192,
"volume": 80.38936575705455,
"volume_molar": 12.102901904902662,
"formula_full": "In1 Cu1 S2",
"formula_reduced": "InCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.601745105,
"spacegroup": 160
},
{
"id": "jvasp-114776",
"created_at": "2022-09-04T14:38:43.627581Z",
"updated_at": "2022-09-04T14:38:43.627603Z",
"structure_string": "Na1 Cl1 O1\n1.0\n4.413424 -0.000000 -0.000000\n-2.206712 3.822137 0.000000\n-0.000000 0.000000 3.818743\nNa Cl O\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 Cl\n0.666666 0.333334 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 1.918959389820102,
"density_atomic": 0.046571360052985636,
"volume": 64.41727268833914,
"volume_molar": 12.930996116816063,
"formula_full": "Na1 Cl1 O1",
"formula_reduced": "NaClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6029605705555555,
"spacegroup": 187
},
{
"id": "jvasp-112032",
"created_at": "2022-09-04T14:38:43.627405Z",
"updated_at": "2022-09-04T14:38:43.627433Z",
"structure_string": "H4 C12 S2 O6\n1.0\n4.556222 0.048683 1.028947\n0.714764 6.569448 2.047713\n0.179943 -0.056983 9.858585\nH C S O\n4 12 2 6\ndirect\n0.925363 0.610188 0.764022 H\n0.925364 0.110186 0.264023 H\n0.514458 0.821220 0.914292 H\n0.514458 0.321219 0.414292 H\n0.935473 0.663528 0.370992 C\n0.935473 0.163530 0.870991 C\n0.090184 0.072173 0.653253 C\n0.090185 0.572172 0.153253 C\n0.741204 0.336080 0.906653 C\n0.741203 0.836080 0.406653 C\n0.350212 0.533573 0.043039 C\n0.537066 0.156971 0.435162 C\n0.537067 0.656973 0.935162 C\n0.757224 0.043772 0.354458 C\n0.757223 0.543774 0.854458 C\n0.350211 0.033573 0.543039 C\n0.447090 0.279403 0.049829 S\n0.447088 0.779403 0.549829 S\n0.951602 0.492886 0.451432 O\n0.872182 0.482002 0.183908 O\n0.872181 0.982002 0.683908 O\n0.118491 0.705351 0.229303 O\n0.118490 0.205352 0.729302 O\n0.951603 0.992887 0.951431 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7410289398603196,
"density_atomic": 0.0816231860126167,
"volume": 294.03409953012937,
"volume_molar": 7.3779780650428695,
"formula_full": "H4 C12 S2 O6",
"formula_reduced": "H2C6SO3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 5.105767541666666,
"spacegroup": 1
},
{
"id": "jvasp-116591",
"created_at": "2022-09-04T14:38:43.620408Z",
"updated_at": "2022-09-04T14:38:43.620429Z",
"structure_string": "Sr4 Lu2 Ta2 O12\n1.0\n5.854099 -0.000000 0.000000\n0.000000 5.854055 0.000000\n-0.000000 -0.000000 8.278950\nSr Lu Ta O\n4 2 2 12\ndirect\n0.003718 0.499943 0.250004 Sr\n0.003718 0.500056 0.749996 Sr\n0.503718 0.999943 0.249996 Sr\n0.503718 0.000056 0.750004 Sr\n0.003320 0.000000 -0.000000 Lu\n0.503320 0.500000 0.500000 Lu\n0.003266 0.000000 0.500000 Ta\n0.503266 0.500000 -0.000000 Ta\n0.262696 0.740198 -0.000035 O\n0.262696 0.259801 0.000035 O\n0.743357 0.259509 0.000005 O\n0.743357 0.740491 -0.000005 O\n0.243357 0.759508 0.499995 O\n0.503036 0.499954 0.759660 O\n0.003036 0.999954 0.740340 O\n0.003036 0.000046 0.259660 O\n0.762696 0.759801 0.499965 O\n0.503036 0.500045 0.240340 O\n0.243357 0.240491 0.500005 O\n0.762696 0.240198 0.500035 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Ta",
"O"
],
"chemical_system": "Lu-O-Sr-Ta",
"density": 7.341068649932518,
"density_atomic": 0.07049168225247736,
"volume": 283.72141734916704,
"volume_molar": 8.54305155951695,
"formula_full": "Sr4 Lu2 Ta2 O12",
"formula_reduced": "Sr2LuTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.215295857,
"spacegroup": 225
},
{
"id": "jvasp-111238",
"created_at": "2022-09-04T14:38:43.619391Z",
"updated_at": "2022-09-04T14:38:43.619407Z",
"structure_string": "V2 Bi4\n1.0\n4.949795 -0.010025 2.814810\n3.509744 3.490310 2.814810\n0.027737 0.011411 8.404539\nV Bi\n2 4\ndirect\n0.140992 0.140991 0.820839 V\n0.859006 0.859010 0.179161 V\n0.408794 0.408795 0.884735 Bi\n0.591204 0.591206 0.115265 Bi\n0.840811 0.840814 0.551486 Bi\n0.159187 0.159187 0.448514 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"Bi"
],
"chemical_system": "Bi-V",
"density": 10.726736520074168,
"density_atomic": 0.041329238889408,
"volume": 145.17567129787383,
"volume_molar": 14.571138791388137,
"formula_full": "V2 Bi4",
"formula_reduced": "VBi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8985142666666663,
"spacegroup": 12
},
{
"id": "jvasp-117189",
"created_at": "2022-09-04T14:38:43.618895Z",
"updated_at": "2022-09-04T14:38:43.618921Z",
"structure_string": "Ba2 Nd1 Co1 Cu2 O7\n1.0\n3.920597 -0.000000 0.000000\n0.000000 3.929439 0.000000\n0.000000 -0.000000 11.780760\nBa Nd Co Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.184615 Ba\n0.500000 0.500000 0.815385 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.357588 Cu\n0.000000 0.000000 0.642412 Cu\n0.500000 0.000000 0.369511 O\n0.500000 0.000000 0.630490 O\n0.000000 0.000000 0.150955 O\n0.000000 0.000000 0.849045 O\n-0.000000 0.500000 0.370529 O\n-0.000000 0.500000 0.629471 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-Nd-O",
"density": 6.5593666916229285,
"density_atomic": 0.0716287363018609,
"volume": 181.4914051424116,
"volume_molar": 8.40743683459839,
"formula_full": "Ba2 Nd1 Co1 Cu2 O7",
"formula_reduced": "Ba2NdCoCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.772387672307692,
"spacegroup": 47
},
{
"id": "jvasp-112764",
"created_at": "2022-09-04T14:38:43.616542Z",
"updated_at": "2022-09-04T14:38:43.616550Z",
"structure_string": "Mg2 Co2 F10\n1.0\n4.786126 0.008383 1.759759\n1.001834 4.680107 1.759759\n-0.023392 -0.018948 7.053535\nMg Co F\n2 2 10\ndirect\n0.534566 0.465434 0.750000 Mg\n0.465435 0.534565 0.250000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 -0.000000 0.500000 Co\n0.102090 0.897910 0.250000 F\n0.897910 0.102090 0.749999 F\n0.199851 0.285130 0.367184 F\n0.714870 0.800150 0.132816 F\n0.722582 0.327452 0.032464 F\n0.672548 0.277418 0.467536 F\n0.277418 0.672547 0.967535 F\n0.327452 0.722582 0.532464 F\n0.285130 0.199850 0.867184 F\n0.800150 0.714870 0.632815 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Co",
"F"
],
"chemical_system": "Co-F-Mg",
"density": 3.7402586590311375,
"density_atomic": 0.08846454707891699,
"volume": 158.25548722372312,
"volume_molar": 6.807405857883159,
"formula_full": "Mg2 Co2 F10",
"formula_reduced": "MgCoF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
}
]
}