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=-density&page=4525",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4523",
"results": [
{
"id": "jvasp-65298",
"created_at": "2022-09-04T14:35:47.187425Z",
"updated_at": "2022-09-04T14:35:47.187443Z",
"structure_string": "K4 Zr1 Be1\n1.0\n0.000000 5.004194 5.004194\n5.004194 -0.000000 5.004194\n5.004194 5.004194 -0.000000\nK Zr Be\n4 1 1\ndirect\n0.123383 0.625538 0.625538 K\n0.625538 0.625538 0.625538 K\n0.625538 0.123383 0.625538 K\n0.625538 0.625538 0.123383 K\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Zr",
"Be"
],
"chemical_system": "Be-K-Zr",
"density": 1.7002902574878542,
"density_atomic": 0.023939707574841172,
"volume": 250.62962783662186,
"volume_molar": 25.155448290975855,
"formula_full": "K4 Zr1 Be1",
"formula_reduced": "K4ZrBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6488937666666671,
"spacegroup": 216
},
{
"id": "jvasp-11719",
"created_at": "2022-09-04T14:38:14.167083Z",
"updated_at": "2022-09-04T14:38:14.167099Z",
"structure_string": "Li1 Co1 C4 O4\n1.0\n5.580355 0.000250 -0.000376\n0.000250 5.580302 0.000094\n-0.000376 0.000094 5.580352\nLi Co C O\n1 1 4 4\ndirect\n0.000011 0.999959 0.000023 Li\n0.499996 0.500024 0.499979 Co\n0.318721 0.681295 0.681262 C\n0.681270 0.681292 0.318710 C\n0.318713 0.318738 0.318705 C\n0.681280 0.318729 0.681275 C\n0.197227 0.802765 0.802788 O\n0.197217 0.197210 0.197231 O\n0.802783 0.802771 0.197227 O\n0.802773 0.197210 0.802792 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 1.7001199018974995,
"density_atomic": 0.05754649505647523,
"volume": 173.77252932930418,
"volume_molar": 10.46482631842298,
"formula_full": "Li1 Co1 C4 O4",
"formula_reduced": "LiCo(CO)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 4.437234490000001,
"spacegroup": 215
},
{
"id": "jvasp-104108",
"created_at": "2022-09-04T14:36:45.211648Z",
"updated_at": "2022-09-04T14:36:45.211670Z",
"structure_string": "H6 C4 N2 O2\n1.0\n3.649728 0.000000 -1.207453\n0.000000 6.906169 0.000000\n-0.169025 0.000000 4.477735\nH C N O\n6 4 2 2\ndirect\n0.293989 0.842976 0.774293 H\n0.706010 0.342976 0.225709 H\n0.865891 0.041770 0.156676 H\n0.134109 0.541770 0.843326 H\n0.355833 0.034293 0.304952 H\n0.644166 0.534293 0.695050 H\n0.109418 0.037678 0.375325 C\n0.890581 0.537678 0.624676 C\n0.137593 0.216457 0.581030 C\n0.862406 0.716457 0.418972 C\n0.095244 0.862716 0.553086 N\n0.904755 0.362716 0.446916 N\n0.373557 0.222110 0.856652 O\n0.626442 0.722110 0.143349 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6999902815298984,
"density_atomic": 0.1256115816194976,
"volume": 111.45469087722165,
"volume_molar": 4.794255977320834,
"formula_full": "H6 C4 N2 O2",
"formula_reduced": "H3C2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 4.402273821428571,
"spacegroup": 4
},
{
"id": "jvasp-4522",
"created_at": "2022-09-04T14:37:47.259662Z",
"updated_at": "2022-09-04T14:37:47.259673Z",
"structure_string": "Na2 Li1 N1\n1.0\n2.223621 -3.851425 -0.000000\n2.223621 3.851425 0.000000\n0.000000 0.000000 3.818286\nNa Li N\n2 1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500001 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.6993050220677344,
"density_atomic": 0.06116166906500417,
"volume": 65.40043888842698,
"volume_molar": 9.846266218797131,
"formula_full": "Na2 Li1 N1",
"formula_reduced": "Na2LiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0839153124999998,
"spacegroup": 191
},
{
"id": "jvasp-15758",
"created_at": "2022-09-04T14:36:56.555889Z",
"updated_at": "2022-09-04T14:36:56.555914Z",
"structure_string": "Na2 Li1 N1\n1.0\n2.223621 -3.851425 -0.000000\n2.223621 3.851425 0.000000\n-0.000000 -0.000000 3.818286\nNa Li N\n2 1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500001 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.6993050220677344,
"density_atomic": 0.06116166906500417,
"volume": 65.40043888842698,
"volume_molar": 9.846266218797131,
"formula_full": "Na2 Li1 N1",
"formula_reduced": "Na2LiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0839153124999998,
"spacegroup": 191
},
{
"id": "jvasp-13836",
"created_at": "2022-09-04T14:37:18.968964Z",
"updated_at": "2022-09-04T14:37:18.968989Z",
"structure_string": "Na2 Li1 N1\n1.0\n2.223561 -3.851321 -0.000000\n2.223561 3.851321 -0.000000\n0.000000 0.000000 3.818608\nNa Li N\n2 1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.6992534646779194,
"density_atomic": 0.06115981340285242,
"volume": 65.40242321624619,
"volume_molar": 9.846564966333162,
"formula_full": "Na2 Li1 N1",
"formula_reduced": "Na2LiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0839153124999998,
"spacegroup": 191
},
{
"id": "jvasp-79196",
"created_at": "2022-09-04T14:36:38.238385Z",
"updated_at": "2022-09-04T14:36:38.238414Z",
"structure_string": "Ca1 Mg3\n1.0\n3.472911 0.000000 -0.000000\n-1.736455 3.007628 0.000000\n0.000000 -0.000000 10.576092\nCa Mg\n1 3\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.764433 Mg\n0.666666 0.333333 0.235567 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6984690747185434,
"density_atomic": 0.036209038959924056,
"volume": 110.46965384602379,
"volume_molar": 16.631595129230764,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1224179999999999,
"spacegroup": 187
},
{
"id": "jvasp-114184",
"created_at": "2022-09-04T14:38:39.649115Z",
"updated_at": "2022-09-04T14:38:39.649133Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n4.202976 0.000000 0.000000\n0.000000 4.202976 0.000000\n0.000000 0.000000 8.843740\nSr Ca S\n1 1 1\ndirect\n0.000000 0.000000 0.046510 Sr\n0.000000 0.000000 0.476457 Ca\n0.000000 0.000000 0.752204 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 1.6981479227495948,
"density_atomic": 0.019203105523119345,
"volume": 156.2247312752714,
"volume_molar": 31.360244064428624,
"formula_full": "Sr1 Ca1 S1",
"formula_reduced": "SrCaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.234420291111111,
"spacegroup": 99
},
{
"id": "jvasp-37782",
"created_at": "2022-09-04T14:38:34.287804Z",
"updated_at": "2022-09-04T14:38:34.287827Z",
"structure_string": "K2 H8 O4 F2\n1.0\n4.089098 0.000000 0.000000\n0.000000 5.129881 0.000000\n0.000000 0.000000 8.776027\nK H O F\n2 8 4 2\ndirect\n0.500000 0.607626 0.500269 K\n0.500000 0.392374 0.000269 K\n0.307632 0.901715 0.180380 H\n0.692368 0.901715 0.180380 H\n0.000000 0.226565 0.290132 H\n0.000000 0.137881 0.463333 H\n0.307632 0.098285 0.680381 H\n0.692368 0.098285 0.680381 H\n0.000000 0.773435 0.790132 H\n0.000000 0.862119 0.963334 H\n0.500000 0.797093 0.212516 O\n0.000000 0.293079 0.396143 O\n0.500000 0.202907 0.712517 O\n0.000000 0.706920 0.896143 O\n0.000000 0.092788 0.110246 F\n0.000000 0.907212 0.610246 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-O",
"density": 1.6980941436055919,
"density_atomic": 0.08691349657818137,
"volume": 184.09108630910399,
"volume_molar": 6.928890215092081,
"formula_full": "K2 H8 O4 F2",
"formula_reduced": "KH4O2F",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.8578906603125,
"spacegroup": 26
},
{
"id": "jvasp-103805",
"created_at": "2022-09-04T14:36:41.257980Z",
"updated_at": "2022-09-04T14:36:41.258001Z",
"structure_string": "H10 C12 S4 N2\n1.0\n5.205299 0.038452 -0.466141\n-2.632139 6.402841 -2.490116\n-0.040112 0.035340 9.070974\nH C S N\n10 12 4 2\ndirect\n0.891709 0.863493 0.913295 H\n0.391708 0.363493 0.413295 H\n0.955327 0.506465 0.297093 H\n0.455328 0.006466 0.797093 H\n0.775503 0.663834 0.108301 H\n0.275504 0.163835 0.608301 H\n0.563807 0.655044 0.820975 H\n0.063806 0.155043 0.320975 H\n0.378240 0.185979 0.087226 H\n0.878241 0.685979 0.587226 H\n0.418939 0.064168 0.293863 C\n0.918939 0.564168 0.793862 C\n0.277192 0.219911 0.306166 C\n0.777192 0.719911 0.806166 C\n0.639548 0.860320 0.605054 C\n0.139547 0.360320 0.105055 C\n0.391958 0.062900 0.574770 C\n0.961966 0.508052 0.923900 C\n0.891957 0.562899 0.074770 C\n0.486424 0.979942 0.675833 C\n0.986423 0.479941 0.175833 C\n0.461966 0.008052 0.423901 C\n0.029830 0.465491 0.626358 S\n0.529829 0.965490 0.126358 S\n0.152874 0.347368 0.910178 S\n0.652874 0.847368 0.410178 S\n0.273895 0.262069 0.161041 N\n0.773896 0.762069 0.661041 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6980223937825374,
"density_atomic": 0.09221828453081304,
"volume": 303.62742207207634,
"volume_molar": 6.530310979692766,
"formula_full": "H10 C12 S4 N2",
"formula_reduced": "H5C6S2N",
"formula_anonymous": "AB2C5D6",
"energy_above_hull": 5.125060232142857,
"spacegroup": 1
},
{
"id": "jvasp-50879",
"created_at": "2022-09-04T14:36:13.917358Z",
"updated_at": "2022-09-04T14:36:13.917383Z",
"structure_string": "Li3 Cr1 S4\n1.0\n5.815533 -0.000000 0.000000\n-0.000000 5.815533 0.000000\n-0.000000 -0.000000 5.815533\nLi Cr S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.211862 0.211862 0.211862 S\n0.211862 0.788138 0.788138 S\n0.788138 0.211862 0.788138 S\n0.788138 0.788138 0.211862 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 1.6976472599061898,
"density_atomic": 0.040674424198303624,
"volume": 196.68379227685907,
"volume_molar": 14.805718528773076,
"formula_full": "Li3 Cr1 S4",
"formula_reduced": "Li3CrS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9787184250000005,
"spacegroup": 215
},
{
"id": "jvasp-38005",
"created_at": "2022-09-04T14:38:01.669860Z",
"updated_at": "2022-09-04T14:38:01.669892Z",
"structure_string": "Li6 P1 S5 Cl1\n1.0\n5.082268 5.082268 -0.000000\n5.082268 0.000000 -5.082268\n-0.000000 5.082268 -5.082268\nLi P S Cl\n6 1 5 1\ndirect\n0.023173 0.476827 0.023173 Li\n0.476827 0.023173 0.476827 Li\n0.023173 0.476827 0.476827 Li\n0.476827 0.023173 0.023173 Li\n0.023173 0.023173 0.476827 Li\n0.476827 0.476827 0.023173 Li\n0.500000 0.500000 0.500000 P\n0.616944 0.616944 0.149168 S\n0.616944 0.149168 0.616944 S\n0.149168 0.616944 0.616944 S\n0.616944 0.616944 0.616944 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"P",
"S",
"Cl"
],
"chemical_system": "Cl-Li-P-S",
"density": 1.6975606669593326,
"density_atomic": 0.049515442961040185,
"volume": 262.5443542982879,
"volume_molar": 12.162146594827698,
"formula_full": "Li6 P1 S5 Cl1",
"formula_reduced": "Li6PS5Cl",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.4885015051923076,
"spacegroup": 216
}
]
}