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=4423",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4421",
"results": [
{
"id": "jvasp-101868",
"created_at": "2022-09-04T14:36:48.247733Z",
"updated_at": "2022-09-04T14:36:48.247754Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.794270 -0.008918 -0.437245\n-1.013013 6.433339 -1.818513\n0.075948 0.256275 8.912866\nSn H C O\n1 16 9 4\ndirect\n0.294381 0.357413 0.627663 Sn\n0.676262 0.715791 0.998110 H\n0.016927 0.678448 0.677513 H\n0.223159 0.941913 0.526873 H\n0.036603 0.049521 0.388950 H\n0.891424 0.030161 0.566272 H\n0.895759 0.888202 0.156403 H\n0.161027 0.647119 0.862797 H\n0.385416 0.768978 0.747177 H\n0.484926 0.871842 0.320760 H\n0.868136 0.644597 0.329554 H\n0.670493 0.455773 0.174587 H\n0.906921 0.219369 0.018847 H\n0.801347 0.994114 0.873456 H\n0.327136 -0.031877 0.016260 H\n0.541785 0.135938 0.177346 H\n0.291619 0.677820 0.163807 H\n0.548308 0.018542 0.067935 C\n0.715758 0.113507 0.957532 C\n0.651322 0.583840 0.275087 C\n0.507448 0.745982 0.219243 C\n0.549798 0.224066 0.861878 C\n0.493468 0.491901 0.386980 C\n0.203492 0.652278 0.744847 C\n0.085049 0.054784 0.512213 C\n0.672655 0.837169 0.106420 C\n0.636727 0.436791 0.496542 O\n0.666393 0.283481 0.750040 O\n0.300402 0.252187 0.880837 O\n0.228616 0.469057 0.380008 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8374251562734096,
"density_atomic": 0.10815364131293553,
"volume": 277.38317116107953,
"volume_molar": 5.5681350039573125,
"formula_full": "Sn1 H16 C9 O4",
"formula_reduced": "SnH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.51264919,
"spacegroup": 1
},
{
"id": "jvasp-112024",
"created_at": "2022-09-04T14:38:41.907832Z",
"updated_at": "2022-09-04T14:38:41.907857Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.709916 0.000782 -0.319345\n-0.311508 6.722392 -1.711199\n0.092480 -0.116277 10.391617\nSn H C O\n1 20 11 6\ndirect\n0.300060 0.597146 0.900496 Sn\n0.963099 0.815361 0.560646 H\n0.953231 0.584226 0.713374 H\n0.940222 0.873407 0.404645 H\n0.528352 0.100562 0.492126 H\n0.870419 0.180832 0.570212 H\n0.780590 0.038034 0.756139 H\n0.433353 0.945972 0.687186 H\n0.768293 0.104787 0.272400 H\n0.081979 0.194063 0.372903 H\n0.229174 0.558440 0.125485 H\n0.789706 0.468352 0.506555 H\n0.808540 0.199320 0.024415 H\n0.102141 0.078407 0.945991 H\n0.308281 0.236200 0.159892 H\n0.240431 0.989309 0.169560 H\n0.760684 0.437893 0.206507 H\n0.064772 0.518613 0.317956 H\n0.470581 0.719520 0.346022 H\n0.415984 0.715401 0.512152 H\n0.491497 0.379908 0.395288 H\n0.577553 0.697686 0.438341 C\n0.871642 0.419547 0.298617 C\n0.959881 0.082794 0.026913 C\n0.137497 0.126231 0.161337 C\n0.678180 0.484504 0.413810 C\n0.702241 0.063241 0.555926 C\n0.597044 0.063665 0.693426 C\n0.815428 0.859676 0.488349 C\n0.480961 0.258154 0.763506 C\n0.802894 0.883058 0.992382 C\n0.959882 0.203843 0.281206 C\n0.636358 0.422832 0.792418 O\n0.390624 0.523134 0.070571 O\n0.125562 0.670738 0.741222 O\n0.927430 0.726762 0.003528 O\n0.539161 0.873840 0.950278 O\n0.225952 0.268130 0.799287 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8563632434009691,
"density_atomic": 0.11575816442072252,
"volume": 328.27058195125807,
"volume_molar": 5.202346452309452,
"formula_full": "Sn1 H20 C11 O6",
"formula_reduced": "SnH20C11O6",
"formula_anonymous": "AB6C11D20",
"energy_above_hull": 4.513295860526315,
"spacegroup": 1
},
{
"id": "jvasp-101886",
"created_at": "2022-09-04T14:36:50.583641Z",
"updated_at": "2022-09-04T14:36:50.583671Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.864703 -0.049261 0.432993\n0.059459 6.558795 2.452150\n0.022234 -0.252173 9.778181\nSn H C O\n1 20 11 6\ndirect\n0.970591 0.631015 0.998281 Sn\n0.493758 0.861650 0.406558 H\n0.643341 0.410222 0.183931 H\n0.193224 0.815534 0.527990 H\n0.934358 0.005504 0.292135 H\n0.038877 0.753055 0.319123 H\n0.431207 0.097040 0.144930 H\n0.150005 0.037600 0.062915 H\n0.725578 0.167412 0.436407 H\n0.467393 0.500761 0.402812 H\n0.296581 0.848061 0.809107 H\n0.098698 0.163389 0.483901 H\n0.544843 0.067577 0.609251 H\n0.931516 0.487104 0.479285 H\n0.713096 0.622778 0.568553 H\n0.323770 0.401657 0.582687 H\n0.463447 0.187357 0.822037 H\n0.728664 0.188275 0.933498 H\n0.021098 0.407153 0.735600 H\n0.930417 0.189239 0.698504 H\n0.293171 0.242135 0.316175 H\n0.630140 0.280420 0.835692 C\n0.849684 0.333865 0.707127 C\n0.756679 0.469848 0.562134 C\n0.507696 0.394513 0.510744 C\n0.292226 0.133369 0.427594 C\n0.115697 0.906581 0.299213 C\n0.286782 0.976484 0.151034 C\n0.282779 0.917258 0.422229 C\n0.443547 0.806281 0.118223 C\n0.500658 0.456072 0.873694 C\n0.532595 0.180970 0.500230 C\n0.704057 0.825307 0.086066 O\n0.112200 0.880192 0.844746 O\n0.828944 0.379750 0.148845 O\n0.640311 0.613117 0.864143 O\n0.243656 0.439704 0.915779 O\n0.316745 0.645349 0.123979 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.9348589893987556,
"density_atomic": 0.12065296262567513,
"volume": 314.9528960834116,
"volume_molar": 4.991291244694625,
"formula_full": "Sn1 H20 C11 O6",
"formula_reduced": "SnH20C11O6",
"formula_anonymous": "AB6C11D20",
"energy_above_hull": 4.513408228947368,
"spacegroup": 1
},
{
"id": "jvasp-35225",
"created_at": "2022-09-04T14:37:43.387665Z",
"updated_at": "2022-09-04T14:37:43.387684Z",
"structure_string": "Ce1 P12 Os4\n1.0\n-4.081542 -4.081542 4.081542\n-4.081542 4.081542 -4.081542\n4.081542 -4.081542 -4.081542\nCe P Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.211429 0.857072 0.354357 P\n0.788570 0.142927 0.645643 P\n0.497284 0.142927 0.354357 P\n0.502715 0.857072 0.645643 P\n0.645643 0.788570 0.142927 P\n0.354357 0.211429 0.857072 P\n0.645643 0.502715 0.857072 P\n0.857072 0.354357 0.211429 P\n0.142927 0.645643 0.788570 P\n0.142927 0.354357 0.497284 P\n0.857072 0.645643 0.502715 P\n0.354357 0.497284 0.142927 P\n0.000000 0.500000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ce",
"P",
"Os"
],
"chemical_system": "Ce-Os-P",
"density": 7.77051057457753,
"density_atomic": 0.06250519587870364,
"volume": 271.97738941559146,
"volume_molar": 9.634624250576623,
"formula_full": "Ce1 P12 Os4",
"formula_reduced": "Ce(P3Os)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 4.515093029411765,
"spacegroup": 204
},
{
"id": "jvasp-16630",
"created_at": "2022-09-04T14:37:48.813788Z",
"updated_at": "2022-09-04T14:37:48.813796Z",
"structure_string": "Ce1 B2 Ir3\n1.0\n2.748537 -4.760607 -0.000000\n2.748537 4.760607 0.000000\n-0.000000 0.000000 3.177813\nCe B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666668 0.333333 0.000000 B\n0.333333 0.666668 0.000000 B\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"B",
"Ir"
],
"chemical_system": "B-Ce-Ir",
"density": 14.743889391828729,
"density_atomic": 0.07214878116939491,
"volume": 83.16148800785514,
"volume_molar": 8.346836443239262,
"formula_full": "Ce1 B2 Ir3",
"formula_reduced": "CeB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.515537327777778,
"spacegroup": 191
},
{
"id": "jvasp-75791",
"created_at": "2022-09-04T14:36:18.017280Z",
"updated_at": "2022-09-04T14:36:18.017305Z",
"structure_string": "Ta2 Be1 As1\n1.0\n0.000000 3.164491 3.164491\n3.164491 0.000000 3.164491\n3.164491 3.164491 0.000000\nTa Be As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"As"
],
"chemical_system": "As-Be-Ta",
"density": 11.680901184309795,
"density_atomic": 0.06311293849600813,
"volume": 63.37844656453444,
"volume_molar": 9.54184815904412,
"formula_full": "Ta2 Be1 As1",
"formula_reduced": "Ta2BeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5156040625,
"spacegroup": 216
},
{
"id": "jvasp-96953",
"created_at": "2022-09-04T14:36:32.461994Z",
"updated_at": "2022-09-04T14:36:32.462008Z",
"structure_string": "H32 C12 N8 O4\n1.0\n5.926411 0.000000 0.000000\n0.000000 7.832951 -2.520270\n0.000000 0.205656 9.052728\nH C N O\n32 12 8 4\ndirect\n0.721559 0.745372 0.939109 H\n0.472780 0.667514 0.459362 H\n0.903899 0.875239 0.862540 H\n0.838127 0.610244 0.644421 H\n0.278441 0.254628 0.060891 H\n0.756767 0.150071 0.768793 H\n0.338127 0.889757 0.855579 H\n0.527220 0.332487 0.540638 H\n0.712828 0.943405 0.231354 H\n0.161872 0.389757 0.355579 H\n0.455677 0.397545 0.882235 H\n0.287172 0.056596 0.768647 H\n0.221559 0.754629 0.560891 H\n0.459790 0.946388 0.124314 H\n0.256767 0.349930 0.731208 H\n0.778441 0.245372 0.439109 H\n0.243233 0.849929 0.231208 H\n0.027220 0.167514 0.959363 H\n0.040210 0.446388 0.624314 H\n0.955677 0.102455 0.617765 H\n-0.027220 0.832486 0.040638 H\n0.044323 0.897545 0.382235 H\n0.743233 0.650071 0.268792 H\n0.661872 0.110243 0.144421 H\n0.540210 0.053613 0.875687 H\n0.596101 0.375239 0.362540 H\n0.096101 0.124761 0.137460 H\n0.959790 0.553612 0.375686 H\n0.787172 0.443405 0.731354 H\n0.544322 0.602455 0.117765 H\n0.403899 0.624761 0.637460 H\n0.212828 0.556595 0.268646 H\n0.212157 0.579418 0.907374 C\n0.581998 0.025677 0.203879 C\n0.399150 0.720765 0.573684 C\n0.287842 0.079418 0.407374 C\n0.100850 0.220765 0.073684 C\n0.899150 0.779235 0.926316 C\n0.918002 0.525677 0.703879 C\n0.418002 0.974324 0.796122 C\n0.712157 0.920582 0.592627 C\n0.081998 0.474323 0.296122 C\n0.600850 0.279235 0.426316 C\n0.787842 0.420582 0.092626 C\n0.975241 0.371106 0.156067 N\n0.685298 0.567881 0.168881 N\n0.185298 0.932119 0.331119 N\n0.475241 0.128894 0.343933 N\n0.314701 0.432119 0.831119 N\n0.524759 0.871106 0.656067 N\n0.024759 0.628894 0.843934 N\n0.814701 0.067882 0.668882 N\n0.293974 0.671318 0.033323 O\n0.206026 0.171319 0.533323 O\n0.706026 0.328682 0.966677 O\n0.793974 0.828682 0.466677 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.3825057741431968,
"density_atomic": 0.13229044541704835,
"volume": 423.31099440673023,
"volume_molar": 4.552211417094468,
"formula_full": "H32 C12 N8 O4",
"formula_reduced": "H8C3N2O",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 4.515632857142857,
"spacegroup": 14
},
{
"id": "jvasp-41592",
"created_at": "2022-09-04T14:37:29.453045Z",
"updated_at": "2022-09-04T14:37:29.453064Z",
"structure_string": "Lu1 U1 Tc2\n1.0\n0.000014 3.361415 3.361424\n3.361471 -0.000127 3.361566\n3.361344 3.361428 0.000001\nLu U Tc\n1 1 2\ndirect\n0.250000 0.249998 0.250001 Lu\n0.750009 0.749985 0.749991 U\n0.999997 0.000003 0.000006 Tc\n0.499993 0.500012 0.499998 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"U",
"Tc"
],
"chemical_system": "Lu-Tc-U",
"density": 13.312193915638574,
"density_atomic": 0.0526557924581762,
"volume": 75.96505176856178,
"volume_molar": 11.436805864774149,
"formula_full": "Lu1 U1 Tc2",
"formula_reduced": "LuUTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5190686875,
"spacegroup": 225
},
{
"id": "jvasp-96919",
"created_at": "2022-09-04T14:35:56.482031Z",
"updated_at": "2022-09-04T14:35:56.482062Z",
"structure_string": "Pr8 Mo4 C8\n1.0\n5.852603 -0.000000 0.000000\n-0.000000 5.852603 0.000000\n0.000000 0.000000 10.525005\nPr Mo C\n8 4 8\ndirect\n0.196360 0.196360 0.343800 Pr\n0.696360 0.303640 0.843800 Pr\n0.696360 0.303640 0.156201 Pr\n0.303640 0.696360 0.156201 Pr\n0.803640 0.803640 0.343800 Pr\n0.196360 0.196360 0.656201 Pr\n0.803640 0.803640 0.656201 Pr\n0.303640 0.696360 0.843800 Pr\n0.823857 0.823857 0.000000 Mo\n0.676143 0.323857 0.500000 Mo\n0.323857 0.676143 0.500000 Mo\n0.176143 0.176143 0.000000 Mo\n0.000000 0.000000 0.140786 C\n0.500000 0.500000 0.640786 C\n0.500000 0.500000 0.359215 C\n0.000000 0.000000 0.859215 C\n0.000000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Mo",
"C"
],
"chemical_system": "C-Mo-Pr",
"density": 7.402414402628852,
"density_atomic": 0.05547656386232402,
"volume": 360.51259500559416,
"volume_molar": 10.855287964382805,
"formula_full": "Pr8 Mo4 C8",
"formula_reduced": "Pr2MoC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.51933512,
"spacegroup": 136
},
{
"id": "jvasp-20327",
"created_at": "2022-09-04T14:38:13.592047Z",
"updated_at": "2022-09-04T14:38:13.592081Z",
"structure_string": "Pr8 C12\n1.0\n7.104836 -0.000000 -2.511939\n-3.552418 6.152968 -2.511939\n0.000000 0.000000 7.535817\nPr C\n8 12\ndirect\n0.604511 0.604511 0.604511 Pr\n0.500000 0.000000 0.395490 Pr\n-0.000000 0.395490 0.500000 Pr\n0.500000 -0.000000 0.895490 Pr\n-0.000000 0.895490 0.500000 Pr\n0.895490 0.500000 -0.000000 Pr\n0.104510 0.104510 0.104510 Pr\n0.395490 0.500000 -0.000000 Pr\n0.750000 0.799144 0.049143 C\n0.750000 0.950857 0.200856 C\n0.250000 0.549144 0.299144 C\n0.200857 0.750000 0.950857 C\n0.950857 0.200857 0.750000 C\n0.250000 0.700857 0.450857 C\n0.700857 0.450857 0.250000 C\n0.799144 0.049144 0.750000 C\n0.049143 0.750000 0.799144 C\n0.450857 0.250000 0.700857 C\n0.549144 0.299144 0.250000 C\n0.299144 0.250000 0.549144 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pr",
"C"
],
"chemical_system": "C-Pr",
"density": 6.408534025214377,
"density_atomic": 0.06071009858571648,
"volume": 329.4344839806517,
"volume_molar": 9.919504168647249,
"formula_full": "Pr8 C12",
"formula_reduced": "Pr2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.51962194,
"spacegroup": 220
},
{
"id": "jvasp-75585",
"created_at": "2022-09-04T14:35:46.997062Z",
"updated_at": "2022-09-04T14:35:46.997086Z",
"structure_string": "Hf1 Re1 As1\n1.0\n-0.000000 3.141165 3.141165\n3.141165 0.000000 3.141165\n3.141165 3.141165 -0.000000\nHf Re As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Hf\n0.000000 0.000000 0.000000 Re\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Re",
"As"
],
"chemical_system": "As-Hf-Re",
"density": 11.776681004504493,
"density_atomic": 0.0483970633084585,
"volume": 61.98723217728133,
"volume_molar": 12.443194583146314,
"formula_full": "Hf1 Re1 As1",
"formula_reduced": "HfReAs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.519750916666666,
"spacegroup": 216
},
{
"id": "jvasp-115616",
"created_at": "2022-09-04T14:38:45.202420Z",
"updated_at": "2022-09-04T14:38:45.202447Z",
"structure_string": "Be1 C1 N1\n1.0\n3.279560 -0.000000 -0.000000\n-1.639780 2.840182 -0.000000\n-0.000000 0.000000 3.096730\nBe C N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.333334 0.666666 0.000000 C\n0.666668 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"C",
"N"
],
"chemical_system": "Be-C-N",
"density": 2.0165962700383204,
"density_atomic": 0.10400546542455334,
"volume": 28.84463799814666,
"volume_molar": 5.790215673202795,
"formula_full": "Be1 C1 N1",
"formula_reduced": "BeCN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.5198897833333325,
"spacegroup": 187
}
]
}