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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4159",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4157",
"results": [
{
"id": "jvasp-44511",
"created_at": "2022-09-04T14:38:05.555882Z",
"updated_at": "2022-09-04T14:38:05.555913Z",
"structure_string": "Li3 Co4 Cu1 O8\n1.0\n-0.015561 2.971582 -5.044421\n1.619560 -2.491499 -5.044421\n-4.934690 1.499269 -2.531935\nLi Co Cu O\n3 4 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Cu\n0.481182 0.250704 0.769522 O\n0.005742 0.269537 0.761667 O\n0.507870 0.767409 0.761667 O\n0.977228 0.736751 0.759523 O\n0.022772 0.263249 0.240478 O\n0.492129 0.232592 0.238333 O\n-0.005742 0.730463 0.238334 O\n0.518818 0.749297 0.230479 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 5.482829128370159,
"density_atomic": 0.11789722407139151,
"volume": 135.71142260577193,
"volume_molar": 5.107958060448778,
"formula_full": "Li3 Co4 Cu1 O8",
"formula_reduced": "Li3Co4CuO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.574372003125,
"spacegroup": 12
},
{
"id": "jvasp-45057",
"created_at": "2022-09-04T14:38:05.556590Z",
"updated_at": "2022-09-04T14:38:05.556619Z",
"structure_string": "Li4 Mn1 Cr5 O12\n1.0\n2.507596 4.355804 0.040889\n-2.500777 4.339376 0.020445\n0.040008 0.069495 9.988542\nLi Mn Cr O\n4 1 5 12\ndirect\n0.148682 0.499325 0.746916 Li\n0.351992 0.499325 0.253085 Li\n0.648008 0.500674 0.746916 Li\n0.851317 0.500674 0.253085 Li\n0.000000 0.000000 0.000000 Mn\n0.160508 0.678984 0.500000 Cr\n0.663242 0.673517 0.000000 Cr\n0.336758 0.326483 0.000000 Cr\n0.839492 0.321015 0.500000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.997757 0.334140 0.895012 O\n0.319800 -0.000000 0.099812 O\n0.668102 0.334141 0.104988 O\n0.834587 0.655456 0.607654 O\n0.162190 -0.000001 0.604797 O\n0.002243 0.665859 0.104989 O\n0.509955 0.655456 0.392346 O\n0.165413 0.344543 0.392346 O\n0.331898 0.665858 0.895012 O\n0.680200 -0.000002 0.900188 O\n0.490045 0.344543 0.607654 O\n0.837810 -0.000001 0.395203 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.082454861100309,
"density_atomic": 0.10115906732608829,
"volume": 217.47926885370106,
"volume_molar": 5.953139860994871,
"formula_full": "Li4 Mn1 Cr5 O12",
"formula_reduced": "Li4MnCr5O12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.362555738244514,
"spacegroup": 12
},
{
"id": "jvasp-46243",
"created_at": "2022-09-04T14:38:05.620429Z",
"updated_at": "2022-09-04T14:38:05.620461Z",
"structure_string": "Li4 Cr3 Ga1 O8\n1.0\n4.406586 2.544133 0.000681\n2.938214 -1.695679 4.774038\n2.937664 -5.088162 -0.000069\nLi Cr Ga O\n4 3 1 8\ndirect\n0.995576 0.001558 0.999220 Li\n0.004422 0.998442 0.500780 Li\n0.500000 -0.000000 0.250000 Li\n0.500000 -0.000000 0.750000 Li\n-0.000001 0.500000 -0.000018 Cr\n-0.000000 0.500000 0.500017 Cr\n0.499999 0.500000 0.750000 Cr\n0.500000 0.500000 0.250000 Ga\n0.240982 0.272810 0.363586 O\n0.241747 0.275980 0.862001 O\n0.742865 0.273137 0.112349 O\n0.257133 0.726864 0.387651 O\n0.257131 0.726866 0.885498 O\n0.759019 0.727190 0.136414 O\n0.742868 0.273134 0.614501 O\n0.758252 0.724019 0.638000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-Li-O",
"density": 4.438536396745435,
"density_atomic": 0.1121113835384759,
"volume": 142.71521316574336,
"volume_molar": 5.371569389234449,
"formula_full": "Li4 Cr3 Ga1 O8",
"formula_reduced": "Li4Cr3GaO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.6687045328125003,
"spacegroup": 12
},
{
"id": "jvasp-14120",
"created_at": "2022-09-04T14:38:05.651130Z",
"updated_at": "2022-09-04T14:38:05.651154Z",
"structure_string": "Zn4 P6 S18\n1.0\n6.520436 0.019082 0.550504\n0.471318 9.225232 5.163410\n0.040773 0.011981 10.582346\nZn P S\n4 6 18\ndirect\n0.323000 0.951646 0.300550 Zn\n0.677001 0.048354 0.699450 Zn\n0.322999 0.300550 0.951646 Zn\n0.677001 0.699450 0.048354 Zn\n0.289967 0.623857 0.623857 P\n0.375461 0.281382 0.281382 P\n0.624540 0.718618 0.718618 P\n0.651842 0.024247 0.024247 P\n0.348158 0.975752 0.975753 P\n0.710034 0.376143 0.376143 P\n0.705814 0.258685 0.258685 S\n0.294186 0.741315 0.741315 S\n0.327293 0.757462 0.081190 S\n0.844473 0.566745 0.267078 S\n0.155528 0.732921 0.433255 S\n0.155527 0.433255 0.732922 S\n0.844473 0.267078 0.566745 S\n0.755785 0.907786 0.584232 S\n0.755785 0.584232 0.907786 S\n0.244215 0.092214 0.415768 S\n0.327293 0.081190 0.757463 S\n0.846934 0.926616 0.926617 S\n0.672707 0.918809 0.242538 S\n0.380572 0.397825 0.397825 S\n0.619429 0.602175 0.602175 S\n0.153066 0.073384 0.073384 S\n0.244215 0.415768 0.092214 S\n0.672707 0.242537 0.918810 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"P",
"S"
],
"chemical_system": "P-S-Zn",
"density": 2.6758696664350365,
"density_atomic": 0.044035096374792575,
"volume": 635.8564487218496,
"volume_molar": 13.675775133416785,
"formula_full": "Zn4 P6 S18",
"formula_reduced": "Zn2(PS3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 1.98702195,
"spacegroup": 12
},
{
"id": "jvasp-38050",
"created_at": "2022-09-04T14:38:05.711329Z",
"updated_at": "2022-09-04T14:38:05.711349Z",
"structure_string": "Sr2 W2 N6\n1.0\n1.963087 3.094055 1.119580\n-0.012513 -0.021729 -6.474195\n-5.751626 3.097829 1.523872\nSr W N\n2 2 6\ndirect\n0.382547 0.765093 0.665482 Sr\n0.617455 0.234908 0.334518 Sr\n0.151971 0.303942 0.868067 W\n0.848031 0.696059 0.131933 W\n0.154375 0.308751 0.601557 N\n0.002380 0.004761 0.106245 N\n-0.002381 -0.004761 0.893755 N\n0.320382 0.640762 0.023733 N\n0.679620 0.359239 0.976267 N\n0.845626 0.691250 0.398443 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"W",
"N"
],
"chemical_system": "N-Sr-W",
"density": 6.742996454854264,
"density_atomic": 0.06476850334255087,
"volume": 154.3960333174831,
"volume_molar": 9.29794645423533,
"formula_full": "Sr2 W2 N6",
"formula_reduced": "SrWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.694305212,
"spacegroup": 12
},
{
"id": "jvasp-36680",
"created_at": "2022-09-04T14:38:06.024554Z",
"updated_at": "2022-09-04T14:38:06.024577Z",
"structure_string": "Ca2 W2 N6\n1.0\n-2.028944 -2.889723 -0.884715\n-4.795880 2.890341 1.557891\n2.017219 2.889058 -6.574421\nCa W N\n2 2 6\ndirect\n0.590232 0.290821 0.180466 Ca\n0.409766 0.709178 0.819534 Ca\n0.157155 0.871867 0.314311 W\n0.842843 0.128133 0.685689 W\n0.131420 0.551499 0.262841 N\n0.868577 0.448500 0.737158 N\n0.967352 0.061569 0.934708 N\n0.308631 0.979134 0.617264 N\n0.032646 0.938430 0.065291 N\n0.691366 0.020866 0.382736 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"W",
"N"
],
"chemical_system": "Ca-N-W",
"density": 6.002650706824085,
"density_atomic": 0.06796470212824034,
"volume": 147.1351994029391,
"volume_molar": 8.860688815551672,
"formula_full": "Ca2 W2 N6",
"formula_reduced": "CaWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.723762033999999,
"spacegroup": 12
},
{
"id": "jvasp-55815",
"created_at": "2022-09-04T14:38:07.580599Z",
"updated_at": "2022-09-04T14:38:07.580610Z",
"structure_string": "Ni1 H12 Cl2 O6\n1.0\n5.555196 0.031289 2.750540\n1.166300 5.431475 2.750540\n0.071257 0.057912 6.484143\nNi H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.199152 0.582109 0.280543 H\n0.417890 0.800848 0.719456 H\n0.800850 0.417890 0.719455 H\n0.674744 0.210090 0.767144 H\n0.789910 0.325258 0.232855 H\n0.731882 0.731880 0.841974 H\n0.210091 0.674741 0.767144 H\n0.181086 0.181086 0.452747 H\n0.818915 0.818915 0.547252 H\n0.268121 0.268119 0.158024 H\n0.325259 0.789909 0.232854 H\n0.582111 0.199151 0.280543 H\n0.276199 0.276198 0.826855 Cl\n0.723803 0.723801 0.173145 Cl\n0.715624 0.715621 0.704044 O\n0.284378 0.284376 0.295957 O\n0.834062 0.239093 0.739219 O\n0.760908 0.165939 0.260779 O\n0.239094 0.834060 0.739220 O\n0.165940 0.760906 0.260779 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ni",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Ni-O",
"density": 2.038175284590532,
"density_atomic": 0.10844233098422441,
"volume": 193.65131502987484,
"volume_molar": 5.553311797471475,
"formula_full": "Ni1 H12 Cl2 O6",
"formula_reduced": "NiH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.7654910254761904,
"spacegroup": 12
},
{
"id": "jvasp-48217",
"created_at": "2022-09-04T14:38:05.812691Z",
"updated_at": "2022-09-04T14:38:05.812707Z",
"structure_string": "Li3 Fe2 O6\n1.0\n4.889665 -0.004816 0.002812\n-2.431027 4.242491 0.000433\n-0.844005 -1.452056 4.632800\nLi Fe O\n3 2 6\ndirect\n0.999382 0.495198 0.000558 Li\n0.650689 0.844373 0.001068 Li\n0.348545 0.146506 0.001071 Li\n0.832238 0.663256 0.500896 Fe\n0.167428 0.328063 0.500897 Fe\n0.791370 0.287192 0.270817 O\n0.208276 0.704098 0.731013 O\n0.422647 0.548054 0.274288 O\n0.947451 0.072864 0.727505 O\n0.577041 0.443273 0.727501 O\n0.052230 0.918461 0.274278 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.949575805391718,
"density_atomic": 0.1144959095583671,
"volume": 96.07330115485462,
"volume_molar": 5.259699480294591,
"formula_full": "Li3 Fe2 O6",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.414482909090909,
"spacegroup": 12
},
{
"id": "jvasp-47621",
"created_at": "2022-09-04T14:38:05.892777Z",
"updated_at": "2022-09-04T14:38:05.892800Z",
"structure_string": "Li7 Fe3 Si2 O12\n1.0\n-4.175036 -2.410458 0.000049\n-4.175052 2.410486 0.000025\n1.391758 0.803532 -9.430681\nLi Fe Si O\n7 3 2 12\ndirect\n0.659595 0.666667 0.002044 Li\n0.825033 0.341003 0.498006 Li\n0.416667 0.666667 0.250000 Li\n0.333964 0.341004 0.001993 Li\n0.173737 0.666667 0.497955 Li\n0.499369 0.992330 0.498006 Li\n0.008299 0.992330 0.001993 Li\n0.916667 0.666667 0.749999 Fe\n0.583137 0.333726 0.750000 Fe\n0.250197 -0.000393 0.750000 Fe\n0.083333 0.333332 0.250000 Si\n0.750001 0.000001 0.250000 Si\n0.212114 0.332843 0.636341 O\n0.821074 0.666667 0.355977 O\n0.750399 0.297640 0.144038 O\n0.955044 0.332843 0.863658 O\n0.545078 0.666667 0.633812 O\n0.878291 0.000489 0.636342 O\n0.451962 0.297640 0.355961 O\n0.288255 0.666667 0.866187 O\n0.012258 0.666667 0.144022 O\n0.621219 0.000489 0.863658 O\n0.381373 0.035694 0.144038 O\n0.082935 0.035694 0.355961 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 4.061617789038472,
"density_atomic": 0.12643746957944813,
"volume": 189.81714898145273,
"volume_molar": 4.762939957617497,
"formula_full": "Li7 Fe3 Si2 O12",
"formula_reduced": "Li7Fe3(SiO6)2",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.5844902375,
"spacegroup": 12
},
{
"id": "jvasp-32414",
"created_at": "2022-09-04T14:38:06.006231Z",
"updated_at": "2022-09-04T14:38:06.006261Z",
"structure_string": "Si2 C2 Cl6 F6\n1.0\n6.082369 0.000704 0.225776\n0.210028 7.214111 1.662867\n-0.002320 0.090601 7.405702\nSi C Cl F\n2 2 6 6\ndirect\n0.677121 0.810614 0.810615 Si\n0.322880 0.189385 0.189386 Si\n0.249817 0.353217 0.353217 C\n0.750183 0.646782 0.646784 C\n0.344213 0.832378 0.832379 Cl\n0.191266 0.307303 0.940023 Cl\n0.808735 0.692696 0.059977 Cl\n0.808735 0.059976 0.692697 Cl\n0.655787 0.167621 0.167622 Cl\n0.191266 0.940023 0.307304 Cl\n0.669023 0.473622 0.713946 F\n0.669023 0.713945 0.473623 F\n0.026346 0.374774 0.374774 F\n0.330978 0.286054 0.526378 F\n0.973655 0.625226 0.625227 F\n0.330978 0.526377 0.286055 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Si",
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-Si",
"density": 2.0851289237031065,
"density_atomic": 0.049375923736166595,
"volume": 324.04457049743075,
"volume_molar": 12.196512600307946,
"formula_full": "Si2 C2 Cl6 F6",
"formula_reduced": "SiC(ClF)3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.14120895625,
"spacegroup": 12
},
{
"id": "jvasp-46407",
"created_at": "2022-09-04T14:38:06.023116Z",
"updated_at": "2022-09-04T14:38:06.023146Z",
"structure_string": "Na4 Mn2 O6\n1.0\n-5.222478 -0.000708 0.001383\n2.607448 4.521512 -0.005668\n-0.893624 -1.552844 -5.324078\nNa Mn O\n4 2 6\ndirect\n0.499354 0.996581 0.500467 Na\n0.184970 0.339353 0.500400 Na\n0.813720 0.653761 0.500408 Na\n0.499339 0.496507 0.000425 Na\n0.834084 0.163883 0.000432 Mn\n0.164594 0.829130 0.000428 Mn\n0.123118 0.564453 0.200779 O\n0.875564 0.428566 0.800080 O\n0.499348 0.803188 0.799673 O\n0.875546 0.940668 0.200779 O\n0.123131 0.052349 0.800080 O\n0.499331 0.189828 0.201179 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.932695708613457,
"density_atomic": 0.09542271436456702,
"volume": 125.75622146057835,
"volume_molar": 6.311013892344464,
"formula_full": "Na4 Mn2 O6",
"formula_reduced": "Na2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5402059568965516,
"spacegroup": 12
},
{
"id": "jvasp-10795",
"created_at": "2022-09-04T14:38:06.183775Z",
"updated_at": "2022-09-04T14:38:06.183802Z",
"structure_string": "Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"S"
],
"chemical_system": "Ge-Rb-S",
"density": 3.0935092845203997,
"density_atomic": 0.032897869963181114,
"volume": 364.7652572470573,
"volume_molar": 18.305564362494913,
"formula_full": "Rb4 Ge2 S6",
"formula_reduced": "Rb2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6779659916666667,
"spacegroup": 12
}
]
}