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=energy_above_hull&page=4440",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4438",
"results": [
{
"id": "jvasp-41736",
"created_at": "2022-09-04T14:37:38.417090Z",
"updated_at": "2022-09-04T14:37:38.417118Z",
"structure_string": "Li1 Hf2 Re1\n1.0\n-0.000000 3.271695 3.271695\n3.271695 -0.000000 3.271695\n3.271695 3.271695 0.000000\nLi Hf Re\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.749999 0.749999 0.749999 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Re"
],
"chemical_system": "Hf-Li-Re",
"density": 13.042607376809329,
"density_atomic": 0.05710992171109517,
"volume": 70.04036917149004,
"volume_molar": 10.544824050826941,
"formula_full": "Li1 Hf2 Re1",
"formula_reduced": "LiHf2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.580101,
"spacegroup": 225
},
{
"id": "jvasp-109277",
"created_at": "2022-09-04T14:38:26.258605Z",
"updated_at": "2022-09-04T14:38:26.258624Z",
"structure_string": "Hf1 Mn1 Ir2\n1.0\n3.887515 -0.000000 2.244458\n1.295838 3.665184 2.244458\n-0.000000 -0.000000 4.488915\nHf Mn Ir\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Hf\n0.000000 0.000000 0.000000 Mn\n0.750000 0.749999 0.750002 Ir\n0.250000 0.250000 0.250001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Ir"
],
"chemical_system": "Hf-Ir-Mn",
"density": 16.040997579975414,
"density_atomic": 0.06253897365766468,
"volume": 63.96011584545354,
"volume_molar": 9.62942051618069,
"formula_full": "Hf1 Mn1 Ir2",
"formula_reduced": "HfMnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.580268110344828,
"spacegroup": 225
},
{
"id": "jvasp-67430",
"created_at": "2022-09-04T14:35:41.439411Z",
"updated_at": "2022-09-04T14:35:41.439437Z",
"structure_string": "Be1 Tc1 W1\n1.0\n1.432255 -2.480739 0.000000\n1.432255 2.480739 0.000000\n-0.000000 -0.000000 5.688255\nBe Tc W\n1 1 1\ndirect\n0.000000 0.000000 0.991090 Be\n0.333335 0.666669 0.688666 Tc\n0.666669 0.333335 0.320242 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tc",
"W"
],
"chemical_system": "Be-Tc-W",
"density": 11.948432913051043,
"density_atomic": 0.07421826206757809,
"volume": 40.4213183713249,
"volume_molar": 8.11409563122975,
"formula_full": "Be1 Tc1 W1",
"formula_reduced": "BeTcW",
"formula_anonymous": "ABC",
"energy_above_hull": 4.580572533333333,
"spacegroup": 156
},
{
"id": "jvasp-112234",
"created_at": "2022-09-04T14:38:46.442920Z",
"updated_at": "2022-09-04T14:38:46.442944Z",
"structure_string": "H32 C20 O8\n1.0\n5.188925 0.000000 -2.118330\n0.000000 14.620964 0.000000\n-0.002281 0.000000 6.246791\nH C O\n32 20 8\ndirect\n0.899783 0.502052 0.752293 H\n0.412318 0.023422 0.461877 H\n0.587683 0.523422 0.538123 H\n0.860846 0.515515 0.457548 H\n0.639477 0.207824 0.896238 H\n0.360524 0.707824 0.103762 H\n0.002342 0.308403 0.126669 H\n-0.002342 0.808403 0.873331 H\n0.433057 0.167759 0.206941 H\n0.566944 0.667759 0.793059 H\n0.108288 0.159186 0.004342 H\n0.891713 0.659186 0.995658 H\n0.205050 0.357890 0.520315 H\n0.794951 0.857890 0.479685 H\n0.181205 0.201507 0.694268 H\n0.818796 0.701507 0.305732 H\n0.139155 0.015515 0.542452 H\n0.174028 0.645072 0.580897 H\n0.825973 0.145072 0.419103 H\n0.100218 0.002052 0.247707 H\n0.295423 0.794384 0.520818 H\n0.704578 0.294384 0.479183 H\n0.313275 0.853801 0.278371 H\n0.686726 0.353802 0.721629 H\n0.496553 0.047745 0.980271 H\n0.585683 0.963546 0.200340 H\n0.414318 0.463546 0.799661 H\n0.306203 0.945406 0.945758 H\n0.693798 0.445406 0.054242 H\n0.243354 0.580199 0.255341 H\n0.756647 0.080199 0.744659 H\n0.503448 0.547745 0.019729 H\n0.331319 0.427687 0.093715 C\n0.668682 0.927687 0.906285 C\n0.793134 0.539340 0.592100 C\n0.498476 0.474146 0.987806 C\n0.398134 0.798471 0.402092 C\n0.601867 0.298471 0.597908 C\n0.501525 0.974146 0.012194 C\n0.585221 0.205264 0.707950 C\n0.206867 0.039341 0.407900 C\n0.414780 0.705263 0.292050 C\n0.796891 0.785987 0.790315 C\n0.845447 0.641390 0.633937 C\n0.203110 0.285987 0.209685 C\n0.231565 0.183545 0.176689 C\n0.768436 0.683545 0.823311 C\n0.302461 0.300921 0.473183 C\n0.697540 0.800921 0.526817 C\n0.284280 0.204544 0.576337 C\n0.715721 0.704544 0.423664 C\n0.154554 0.141391 0.366064 C\n0.737618 0.137221 0.653505 O\n0.262383 0.637221 0.346495 O\n0.183606 0.467820 0.167353 O\n0.122069 0.656503 0.713848 O\n0.354072 0.336385 0.098431 O\n0.645929 0.836385 0.901569 O\n0.816395 0.967820 0.832647 O\n0.877932 0.156503 0.286152 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.403350535302032,
"density_atomic": 0.12662096453084135,
"volume": 473.8551804775241,
"volume_molar": 4.7560376611514235,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.580653799999999,
"spacegroup": 4
},
{
"id": "jvasp-81273",
"created_at": "2022-09-04T14:37:13.255195Z",
"updated_at": "2022-09-04T14:37:13.255211Z",
"structure_string": "Ti2 Pt1 W1\n1.0\n-8.855971 0.000000 -5.112998\n-5.814592 0.287509 -0.154826\n-5.025721 2.518774 -1.521191\nTi Pt W\n2 1 1\ndirect\n0.744599 -0.000001 0.000000 Ti\n0.255402 -0.000000 0.000000 Ti\n0.500000 -0.000000 0.000000 Pt\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Pt",
"W"
],
"chemical_system": "Pt-Ti-W",
"density": 11.605542690669017,
"density_atomic": 0.05889732119003622,
"volume": 67.91480357983902,
"volume_molar": 10.224812671138562,
"formula_full": "Ti2 Pt1 W1",
"formula_reduced": "Ti2PtW",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.582097016666666,
"spacegroup": 71
},
{
"id": "jvasp-16833",
"created_at": "2022-09-04T14:38:29.695272Z",
"updated_at": "2022-09-04T14:38:29.695301Z",
"structure_string": "Pr1 B6\n1.0\n4.144429 -0.000000 0.000000\n0.000000 4.144429 -0.000000\n-0.000000 -0.000000 4.144429\nPr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.800206 0.500000 0.500000 B\n0.199795 0.500000 0.500000 B\n0.500000 0.500000 0.800206 B\n0.500000 0.500000 0.199795 B\n0.500000 0.199795 0.500000 B\n0.500000 0.800206 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Pr",
"B"
],
"chemical_system": "B-Pr",
"density": 4.800038787191793,
"density_atomic": 0.09833405038955523,
"volume": 71.18592158330866,
"volume_molar": 6.12416628435724,
"formula_full": "Pr1 B6",
"formula_reduced": "PrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.582252192857143,
"spacegroup": 221
},
{
"id": "jvasp-49884",
"created_at": "2022-09-04T14:37:12.559845Z",
"updated_at": "2022-09-04T14:37:12.559873Z",
"structure_string": "Hf6 N4 O6\n1.0\n-3.996384 -0.008639 0.000440\n1.986560 5.297025 0.004545\n-0.001158 -0.112820 -10.619603\nHf N O\n6 4 6\ndirect\n0.816392 0.633413 0.751208 Hf\n0.855808 0.712236 0.059367 Hf\n0.863389 0.727446 0.444174 Hf\n0.191977 0.384568 0.250631 Hf\n0.143043 0.286681 0.944119 Hf\n0.137196 0.275011 0.559959 Hf\n0.700331 0.401267 0.920680 N\n0.953718 0.908246 0.615447 N\n0.296031 0.592723 0.425275 N\n0.299448 0.599513 0.080339 N\n0.689837 0.380301 0.580120 O\n0.751474 0.503575 0.248183 O\n0.954766 0.910095 0.887507 O\n0.246470 0.493559 0.742443 O\n0.044242 0.089121 0.115241 O\n0.042549 0.085575 0.379653 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 9.040893389957214,
"density_atomic": 0.07123096768150161,
"volume": 224.6214044366427,
"volume_molar": 8.454385720164694,
"formula_full": "Hf6 N4 O6",
"formula_reduced": "Hf3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 4.58380075,
"spacegroup": 8
},
{
"id": "jvasp-62610",
"created_at": "2022-09-04T14:36:02.507147Z",
"updated_at": "2022-09-04T14:36:02.507163Z",
"structure_string": "Y4 Fe3 B6\n1.0\n7.309614 -2.648657 -0.084602\n7.309614 2.648657 -0.084602\n6.401915 -0.000000 4.412310\nY Fe B\n4 3 6\ndirect\n0.742330 0.742330 0.742332 Y\n0.257669 0.257669 0.257669 Y\n0.590415 0.590415 0.590417 Y\n0.409583 0.409583 0.409584 Y\n0.000000 0.000000 0.000000 Fe\n0.891364 0.891364 0.891366 Fe\n0.108634 0.108634 0.108635 Fe\n0.832674 0.167324 0.500001 B\n0.167325 0.500000 0.832675 B\n0.499999 0.832674 0.167326 B\n0.167324 0.832674 0.500001 B\n0.832674 0.499999 0.167326 B\n0.500000 0.167325 0.832675 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Fe",
"B"
],
"chemical_system": "B-Fe-Y",
"density": 5.620768387681973,
"density_atomic": 0.07483324832809587,
"volume": 173.71957372481447,
"volume_molar": 8.047413274907925,
"formula_full": "Y4 Fe3 B6",
"formula_reduced": "Y4(FeB2)3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.584044907692308,
"spacegroup": 166
},
{
"id": "jvasp-119936",
"created_at": "2022-09-04T14:38:51.937415Z",
"updated_at": "2022-09-04T14:38:51.937434Z",
"structure_string": "Ba1 C1 N2\n1.0\n4.309160 0.000000 0.000000\n0.000000 4.309160 0.000000\n-0.000000 -0.000000 3.552518\nBa C N\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Ba\n0.500000 0.500000 0.500001 C\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"C",
"N"
],
"chemical_system": "Ba-C-N",
"density": 4.464383117921184,
"density_atomic": 0.06063710583577994,
"volume": 65.96620905412232,
"volume_molar": 9.931444908187776,
"formula_full": "Ba1 C1 N2",
"formula_reduced": "BaCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5840756175,
"spacegroup": 123
},
{
"id": "jvasp-104161",
"created_at": "2022-09-04T14:36:55.181669Z",
"updated_at": "2022-09-04T14:36:55.181688Z",
"structure_string": "H3 C3 S2 N1\n1.0\n4.814992 0.006752 0.590020\n0.298962 4.490295 2.479586\n-0.017988 0.010648 5.138572\nH C S N\n3 3 2 1\ndirect\n0.877742 0.600828 0.697556 H\n0.401816 0.731598 0.763585 H\n0.926063 0.797373 0.891467 H\n0.901953 0.573139 0.921012 C\n0.638694 0.457023 0.118089 C\n0.165145 0.376593 0.037738 C\n0.624549 0.284095 0.483426 S\n0.179209 0.011208 0.210787 S\n0.401817 0.534009 0.961027 N\n",
"nsites": 9,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.752998925030906,
"density_atomic": 0.08107273012653621,
"volume": 111.01143363438032,
"volume_molar": 7.428071992395963,
"formula_full": "H3 C3 S2 N1",
"formula_reduced": "H3C3S2N",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 4.584220361111111,
"spacegroup": 5
},
{
"id": "jvasp-96869",
"created_at": "2022-09-04T14:35:45.110192Z",
"updated_at": "2022-09-04T14:35:45.110217Z",
"structure_string": "Np2 H32 C8 N16 Cl2 O12\n1.0\n5.017111 6.048917 -0.902909\n-5.017111 6.048917 0.902909\n-0.256975 0.000000 11.466099\nNp H C N Cl O\n2 32 8 16 2 12\ndirect\n0.781908 0.781908 0.250000 Np\n0.218092 0.218093 0.750000 Np\n0.590337 0.077498 0.441199 H\n0.710095 0.434612 0.864044 H\n0.434611 0.710095 0.635956 H\n0.289905 0.565389 0.135956 H\n0.565389 0.289906 0.364044 H\n0.530704 0.774678 0.007106 H\n0.774678 0.530704 0.492894 H\n0.469296 0.225323 0.992894 H\n0.225322 0.469297 0.507106 H\n0.498084 0.655992 0.888507 H\n0.655991 0.498085 0.611493 H\n0.501916 0.344009 0.111493 H\n0.344009 0.501916 0.388507 H\n0.077498 0.590337 0.058801 H\n0.409664 0.922503 0.558801 H\n0.922502 0.409664 0.941199 H\n0.637522 0.115858 0.690788 H\n0.824164 0.171741 0.150581 H\n0.828259 0.175836 0.650581 H\n0.175836 0.828260 0.849419 H\n0.362478 0.884143 0.309212 H\n0.884143 0.362478 0.190788 H\n0.007367 0.635731 0.606286 H\n0.171741 0.824165 0.349419 H\n0.115857 0.637523 0.809212 H\n0.021587 0.167541 0.495223 H\n0.832459 0.978413 0.995223 H\n0.978413 0.832460 0.504777 H\n0.364269 0.992634 0.106286 H\n0.992633 0.364270 0.393714 H\n0.635731 0.007367 0.893714 H\n0.167541 0.021587 0.004777 H\n0.263646 0.414201 0.004951 C\n0.585799 0.736355 0.504951 C\n0.414201 0.263646 0.495049 C\n0.736354 0.585800 0.995049 C\n0.914204 0.153812 0.327295 C\n0.846188 0.085797 0.827295 C\n0.153812 0.914204 0.172705 C\n0.085796 0.846188 0.672705 C\n0.320344 0.424330 0.460526 N\n0.424330 0.320344 0.039474 N\n0.575670 0.679656 0.960526 N\n0.543357 0.208098 0.434950 N\n0.208098 0.543357 0.065050 N\n0.456643 0.791903 0.565050 N\n0.791902 0.456644 0.934950 N\n0.679656 0.575671 0.539474 N\n0.762355 0.022440 0.912238 N\n0.977561 0.237645 0.412238 N\n0.237645 0.977561 0.087762 N\n0.123885 0.764794 0.786187 N\n0.764793 0.123885 0.713813 N\n0.876115 0.235207 0.213813 N\n0.235207 0.876116 0.286187 N\n0.022439 0.762356 0.587762 N\n0.547337 0.547337 0.250000 Cl\n0.452663 0.452664 0.750000 Cl\n0.614469 0.835955 0.414920 O\n0.835955 0.614469 0.085080 O\n0.109584 0.001813 0.644954 O\n0.001812 0.109584 0.855046 O\n0.890416 0.998188 0.355046 O\n0.949243 0.615406 0.353170 O\n0.384594 0.050758 0.853170 O\n0.050757 0.384595 0.646830 O\n0.615406 0.949243 0.146830 O\n0.164045 0.385532 0.914920 O\n0.998188 0.890417 0.144954 O\n0.385531 0.164046 0.585080 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
"Np",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-Np-O",
"density": 2.609714490245819,
"density_atomic": 0.10387491477043573,
"volume": 693.1413629471609,
"volume_molar": 5.7974928531195165,
"formula_full": "Np2 H32 C8 N16 Cl2 O12",
"formula_reduced": "NpH16C4N8ClO6",
"formula_anonymous": "ABC4D6E8F16",
"energy_above_hull": 4.58491336298611,
"spacegroup": 15
},
{
"id": "jvasp-41603",
"created_at": "2022-09-04T14:37:44.148345Z",
"updated_at": "2022-09-04T14:37:44.148373Z",
"structure_string": "V2 Tc1 Ru1\n1.0\n0.000000 3.012072 3.012072\n3.012072 0.000000 3.012072\n3.012072 3.012072 -0.000000\nV Tc Ru\n2 1 1\ndirect\n0.500001 0.500001 0.500001 V\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Tc",
"Ru"
],
"chemical_system": "Ru-Tc-V",
"density": 9.143695014185898,
"density_atomic": 0.07318700057612564,
"volume": 54.65451471589399,
"volume_molar": 8.228429519715126,
"formula_full": "V2 Tc1 Ru1",
"formula_reduced": "V2TcRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5849876,
"spacegroup": 225
}
]
}