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=volume_molar&page=120",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=118",
"results": [
{
"id": "jvasp-107274",
"created_at": "2022-09-04T14:37:02.107935Z",
"updated_at": "2022-09-04T14:37:02.107954Z",
"structure_string": "V1 Cr1 B2\n1.0\n4.239277 0.003573 0.000000\n-3.183041 2.799952 0.000000\n0.000000 0.000000 2.933761\nV Cr B\n1 1 2\ndirect\n0.851980 0.148019 0.500000 V\n0.146730 0.853269 -0.000000 Cr\n0.437811 0.562188 -0.000000 B\n0.563478 0.436521 0.500000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"B"
],
"chemical_system": "B-Cr-V",
"density": 5.933941641736992,
"density_atomic": 0.11475641167927618,
"volume": 34.85644018897428,
"volume_molar": 5.247759730263103,
"formula_full": "V1 Cr1 B2",
"formula_reduced": "VCrB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.354306691666668,
"spacegroup": 38
},
{
"id": "jvasp-95533",
"created_at": "2022-09-04T14:36:21.613639Z",
"updated_at": "2022-09-04T14:36:21.613649Z",
"structure_string": "Li1 Co1 H24 C8 N8 O12\n1.0\n8.750542 -0.000000 0.000000\n-4.375271 7.578192 0.000000\n0.000000 0.000000 7.096125\nLi Co H C N O\n1 1 24 8 8 12\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.643581 0.080713 0.342091 H\n0.426638 0.853276 0.865279 H\n0.529671 0.264835 0.620742 H\n0.735165 0.470329 0.620742 H\n0.470329 0.735165 0.379259 H\n0.573362 0.146724 0.134722 H\n0.264835 0.529671 0.379259 H\n0.080713 0.437131 0.657910 H\n0.146724 0.573362 0.865279 H\n0.426638 0.573362 0.865279 H\n0.643581 0.562869 0.342091 H\n0.080713 0.643582 0.657910 H\n0.853276 0.426638 0.134722 H\n0.735165 0.264835 0.620742 H\n0.919287 0.356418 0.342091 H\n0.356418 0.437131 0.657910 H\n0.562869 0.643582 0.657910 H\n0.919287 0.562869 0.342091 H\n0.437131 0.080713 0.342091 H\n0.573362 0.426638 0.134722 H\n0.562869 0.919287 0.657910 H\n0.264835 0.735165 0.379259 H\n0.356418 0.919287 0.657910 H\n0.437131 0.356418 0.342091 H\n0.426939 0.853878 0.711057 C\n0.333333 0.666667 0.429068 C\n0.666667 0.333333 0.570932 C\n0.426939 0.573061 0.711057 C\n0.853878 0.426939 0.288944 C\n0.573061 0.146122 0.288944 C\n0.573061 0.426939 0.288944 C\n0.146122 0.573061 0.711057 C\n0.666667 0.333333 0.359001 N\n0.891059 0.782119 0.848476 N\n0.891059 0.108940 0.848476 N\n0.782119 0.891059 0.151525 N\n0.108940 0.217881 0.151525 N\n0.333333 0.666667 0.641000 N\n0.108940 0.891059 0.151525 N\n0.217881 0.108940 0.848476 N\n0.819050 0.638101 0.931917 O\n0.819050 0.180950 0.931917 O\n0.784910 0.892454 0.328778 O\n0.215090 0.107546 0.671223 O\n0.107546 0.892454 0.328778 O\n0.180950 0.361899 0.068083 O\n0.180950 0.819050 0.068083 O\n0.638101 0.819050 0.068083 O\n0.892454 0.784910 0.671223 O\n0.107546 0.215090 0.328778 O\n0.892454 0.107546 0.671223 O\n0.361899 0.180950 0.931917 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Co",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Co-H-Li-N-O",
"density": 1.7298072556757011,
"density_atomic": 0.1147550865340203,
"volume": 470.5673764098566,
"volume_molar": 5.247820329266778,
"formula_full": "Li1 Co1 H24 C8 N8 O12",
"formula_reduced": "LiCoH24C8(N2O3)4",
"formula_anonymous": "ABC8D8E12F24",
"energy_above_hull": 4.448369053703703,
"spacegroup": 164
},
{
"id": "jvasp-100825",
"created_at": "2022-09-04T14:36:34.461706Z",
"updated_at": "2022-09-04T14:36:34.461722Z",
"structure_string": "Li1 Ti1 O2\n1.0\n2.961209 -0.000000 0.000000\n0.000000 2.961209 0.000000\n-0.000000 -0.000000 3.975324\nLi Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Li\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.499999 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.135158802365843,
"density_atomic": 0.11474911357822616,
"volume": 34.85865707601428,
"volume_molar": 5.248093490408201,
"formula_full": "Li1 Ti1 O2",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6209113333333334,
"spacegroup": 123
},
{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
"updated_at": "2022-09-04T14:38:12.578725Z",
"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.35763527740829,
"density_atomic": 0.11474559052561961,
"volume": 174.29863673527862,
"volume_molar": 5.248254623479773,
"formula_full": "Li5 Mn2 V3 O10",
"formula_reduced": "Li5Mn2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.994666104137931,
"spacegroup": 2
},
{
"id": "jvasp-113154",
"created_at": "2022-09-04T14:38:44.072250Z",
"updated_at": "2022-09-04T14:38:44.072283Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.805460 0.012231 -0.882113\n-0.415977 8.101285 2.381901\n0.054188 0.034848 4.924398\nLi Fe O\n6 4 12\ndirect\n0.749962 0.249971 0.749975 Li\n0.249970 0.749963 0.249971 Li\n0.226551 0.424457 0.575606 Li\n0.726564 0.924492 0.075494 Li\n0.273416 0.075511 0.924505 Li\n0.773415 0.575487 0.424579 Li\n0.998580 0.833808 0.666173 Fe\n0.001435 0.166200 0.333805 Fe\n0.498579 0.333817 0.166181 Fe\n0.501439 0.666209 0.833807 Fe\n0.853482 0.723507 0.003032 O\n0.353474 0.223503 0.503043 O\n0.408504 0.538528 0.188074 O\n0.908499 0.038529 0.688058 O\n0.646537 0.776508 0.496946 O\n0.645674 0.145625 0.124863 O\n0.354341 0.854391 0.875118 O\n0.854336 0.354387 0.375134 O\n0.145675 0.645622 0.624871 O\n0.591518 0.461486 0.811926 O\n0.146538 0.276514 -0.003059 O\n0.091512 0.961490 0.311904 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.9580219399163035,
"density_atomic": 0.11474075809458828,
"volume": 191.7365752618086,
"volume_molar": 5.248475659395206,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.412293818181818,
"spacegroup": 12
},
{
"id": "jvasp-119259",
"created_at": "2022-09-04T14:38:50.261931Z",
"updated_at": "2022-09-04T14:38:50.261949Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.923934 0.084689 0.005344\n-1.737807 4.574429 0.005377\n-0.009272 -0.013732 8.457751\nLi Fe O\n6 4 12\ndirect\n0.000018 0.250020 0.249991 Li\n0.000020 0.750023 0.749991 Li\n0.999915 0.750067 0.098944 Li\n0.000044 0.249962 0.598966 Li\n-0.000068 0.250059 0.901034 Li\n0.000065 0.749950 0.401053 Li\n0.500003 0.250014 0.417613 Fe\n0.500004 0.750020 0.582394 Fe\n0.499996 0.749971 0.917609 Fe\n0.499997 0.249976 0.082388 Fe\n0.726566 0.011987 0.435020 O\n0.726566 0.511941 0.935004 O\n0.726586 0.011954 0.064993 O\n0.726577 0.512003 0.564997 O\n0.273432 0.988049 0.564998 O\n0.270513 0.541275 0.749994 O\n0.729485 0.958718 0.750009 O\n0.729477 0.458718 0.250005 O\n0.270521 0.041275 0.249998 O\n0.273414 0.488036 0.435009 O\n0.273434 0.488003 0.064982 O\n0.273426 0.987987 0.935006 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.9577566375978868,
"density_atomic": 0.11473306713440629,
"volume": 191.74942803740853,
"volume_molar": 5.24882748313984,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.4123010909090907,
"spacegroup": 12
},
{
"id": "jvasp-87336",
"created_at": "2022-09-04T14:36:03.502227Z",
"updated_at": "2022-09-04T14:36:03.502259Z",
"structure_string": "Fe12 O18\n1.0\n4.764310 0.000000 0.000000\n-2.382155 4.126013 -0.000000\n0.000000 0.000000 13.302265\nFe O\n12 18\ndirect\n0.000000 0.000000 0.346077 Fe\n0.333333 0.666666 0.512744 Fe\n0.333333 0.666666 0.820589 Fe\n0.333333 0.666666 0.012744 Fe\n0.666667 0.333333 0.179410 Fe\n0.666667 0.333333 0.487255 Fe\n0.333333 0.666666 0.320589 Fe\n0.666667 0.333333 0.679410 Fe\n0.000000 0.000000 0.846077 Fe\n0.000000 0.000000 0.153923 Fe\n0.000000 0.000000 0.653922 Fe\n0.666667 0.333333 0.987255 Fe\n0.666667 0.020083 0.083333 O\n0.333333 0.353416 0.416667 O\n0.333334 0.979917 0.916667 O\n0.020083 0.666666 0.416667 O\n0.646584 0.666666 0.916667 O\n0.979918 0.646583 0.083333 O\n0.353417 0.020083 0.583333 O\n0.666667 0.646583 0.583333 O\n0.000000 0.313250 0.250000 O\n0.979918 0.333333 0.583333 O\n0.313251 0.313250 0.750000 O\n0.686750 0.686749 0.250000 O\n0.000000 0.686749 0.750000 O\n0.020083 0.353416 0.916667 O\n0.686750 0.000000 0.750000 O\n0.313250 0.000000 0.250000 O\n0.353417 0.333333 0.083333 O\n0.646584 0.979917 0.416667 O\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 6.084389021746986,
"density_atomic": 0.11472684625483104,
"volume": 261.49067092251505,
"volume_molar": 5.249112092407415,
"formula_full": "Fe12 O18",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7202823,
"spacegroup": 167
},
{
"id": "jvasp-45239",
"created_at": "2022-09-04T14:38:05.340933Z",
"updated_at": "2022-09-04T14:38:05.340959Z",
"structure_string": "Li5 V4 O8\n1.0\n5.934334 0.018051 0.010923\n2.950549 5.157950 0.007947\n2.953995 1.735802 4.856223\nLi V O\n5 4 8\ndirect\n0.979155 0.980786 0.061065 Li\n0.980849 0.979204 0.478927 Li\n0.561056 0.978965 0.479179 Li\n0.125002 0.125009 0.625005 Li\n0.978935 0.561069 0.480854 Li\n0.500048 0.000506 -0.000548 V\n0.499454 0.499974 0.000051 V\n0.000513 0.500043 -0.000022 V\n0.499980 0.499459 0.500508 V\n0.253944 0.739899 0.752399 O\n0.746151 0.746832 0.760958 O\n0.746060 0.260959 0.246826 O\n0.746824 0.746139 0.246056 O\n0.260959 0.746055 0.246148 O\n0.252398 0.253767 0.753933 O\n0.739896 0.253947 0.753766 O\n0.253766 0.252382 0.239897 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.106328706561537,
"density_atomic": 0.114714841714433,
"volume": 148.19355321362156,
"volume_molar": 5.249661395158703,
"formula_full": "Li5 V4 O8",
"formula_reduced": "Li5V4O8",
"formula_anonymous": "A4B5C8",
"energy_above_hull": 2.8277826352941173,
"spacegroup": 216
},
{
"id": "jvasp-13095",
"created_at": "2022-09-04T14:36:32.647024Z",
"updated_at": "2022-09-04T14:36:32.647051Z",
"structure_string": "Mg6 H4 O8\n1.0\n1.526590 -2.644130 0.000000\n1.526590 2.644130 -0.000000\n-0.000000 0.000000 19.437726\nMg H O\n6 4 8\ndirect\n0.333333 0.666667 0.752752 Mg\n0.666667 0.333333 0.627383 Mg\n0.333333 0.666667 0.372618 Mg\n0.666667 0.333333 0.247248 Mg\n0.000000 0.000000 0.121885 Mg\n0.000000 0.000000 0.878116 Mg\n0.666667 0.333333 0.477369 H\n0.333333 0.666667 0.522631 H\n0.666667 0.333333 0.017033 H\n0.333333 0.666667 0.982967 H\n0.000000 0.000000 0.690227 O\n0.666667 0.333333 0.067076 O\n0.000000 0.000000 0.309773 O\n0.333333 0.666667 0.572580 O\n0.666667 0.333333 0.427420 O\n0.333333 0.666667 0.932924 O\n0.666667 0.333333 0.815281 O\n0.333333 0.666667 0.184719 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.9402868995228526,
"density_atomic": 0.1147075058393119,
"volume": 156.92085594830485,
"volume_molar": 5.249997126113196,
"formula_full": "Mg6 H4 O8",
"formula_reduced": "Mg3(HO2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3472379055555552,
"spacegroup": 164
},
{
"id": "jvasp-34222",
"created_at": "2022-09-04T14:37:09.316208Z",
"updated_at": "2022-09-04T14:37:09.316228Z",
"structure_string": "Li4 C1 O4\n1.0\n4.265154 0.160983 -1.718639\n-0.940437 4.190231 -1.942146\n-0.439972 -0.849647 4.988195\nLi C O\n4 1 4\ndirect\n0.006231 0.885041 0.704847 Li\n0.486061 0.301000 0.759885 Li\n0.751848 0.175562 0.196063 Li\n0.176677 0.759681 0.141097 Li\n0.465742 0.530319 0.450465 C\n0.767304 0.501848 0.683037 O\n0.534785 0.558808 0.217939 O\n0.190529 0.222773 0.247225 O\n0.393736 0.837881 0.653680 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.1962003946723128,
"density_atomic": 0.11470541875442009,
"volume": 78.46185557518129,
"volume_molar": 5.250092650717027,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.214240444444445,
"spacegroup": 5
},
{
"id": "jvasp-18459",
"created_at": "2022-09-04T14:36:49.153618Z",
"updated_at": "2022-09-04T14:36:49.153639Z",
"structure_string": "Hf1 H2\n1.0\n2.944013 0.016037 -1.431159\n-1.795335 2.706187 -0.411106\n0.010640 -0.016037 3.273426\nHf H\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.250000 0.750001 H\n0.500001 0.750001 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"H"
],
"chemical_system": "H-Hf",
"density": 11.460327829754958,
"density_atomic": 0.11470381026431939,
"volume": 26.154318614934468,
"volume_molar": 5.250166272700787,
"formula_full": "Hf1 H2",
"formula_reduced": "HfH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.978024333333333,
"spacegroup": 139
},
{
"id": "jvasp-34267",
"created_at": "2022-09-04T14:37:15.712620Z",
"updated_at": "2022-09-04T14:37:15.712640Z",
"structure_string": "Li4 C1 O4\n1.0\n4.175075 -0.000265 -1.933796\n-0.953450 4.131470 -2.058666\n-0.203752 -0.645223 5.033803\nLi C O\n4 1 4\ndirect\n0.285892 0.354742 0.254442 Li\n0.765718 0.770655 0.309380 Li\n0.456303 0.229336 0.690628 Li\n0.031430 0.645232 0.745568 Li\n0.745372 0.000005 -0.000007 C\n0.814373 0.028439 0.767415 O\n0.046947 0.971581 0.232566 O\n0.673379 0.307551 0.203203 O\n0.470171 0.692455 0.796794 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.1961285479347485,
"density_atomic": 0.11470166626892812,
"volume": 78.46442246879579,
"volume_molar": 5.250264408435499,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.214243777777778,
"spacegroup": 5
}
]
}