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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4019",
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"results": [
{
"id": "jvasp-48226",
"created_at": "2022-09-04T14:38:06.290528Z",
"updated_at": "2022-09-04T14:38:06.290546Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n0.000000 8.106321 0.085059\n5.283099 0.000000 0.000000\n0.000000 -2.207529 -7.977440\nLi Co Si O\n4 4 4 16\ndirect\n0.029714 0.841532 0.922148 Li\n0.496735 0.332599 0.718193 Li\n0.029714 0.158469 0.422148 Li\n0.496735 0.667401 0.218192 Li\n0.133839 0.332750 0.798310 Co\n0.626344 0.832609 0.607527 Co\n0.133839 0.667250 0.298310 Co\n0.626344 0.167391 0.107527 Co\n0.261700 0.168957 0.177431 Si\n0.752217 0.336984 0.486466 Si\n0.261700 0.831044 0.677431 Si\n0.752217 0.663016 0.986466 Si\n0.434634 0.313048 0.157382 O\n0.786023 0.214207 0.315046 O\n0.302064 0.870801 0.235557 O\n0.186222 0.320263 0.316367 O\n0.673127 0.624828 0.444580 O\n0.947879 0.316050 0.611834 O\n0.615549 0.176989 0.563022 O\n0.673127 0.375172 0.944580 O\n0.434634 0.686953 0.657382 O\n0.786023 0.785793 0.815046 O\n0.302064 0.129199 0.735557 O\n0.186222 0.679738 0.816367 O\n0.615549 0.823011 0.063022 O\n0.115152 0.174014 0.992340 O\n0.115152 0.825987 0.492340 O\n0.947879 0.683951 0.111834 O\n",
"nsites": 28,
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"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.0798923931497173,
"density_atomic": 0.08219488607048725,
"volume": 340.6537965876399,
"volume_molar": 7.326661119568483,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-107056",
"created_at": "2022-09-04T14:36:48.036829Z",
"updated_at": "2022-09-04T14:36:48.036848Z",
"structure_string": "K3 I2 Br1\n1.0\n4.855589 0.000000 0.000000\n-2.427795 4.205064 0.000000\n-0.000000 -0.000000 11.910712\nK I Br\n3 2 1\ndirect\n0.000000 0.000000 0.500000 K\n0.333334 0.666666 0.150770 K\n0.666667 0.333333 0.849230 K\n0.333334 0.666666 0.674648 I\n0.666667 0.333333 0.325351 I\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
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"elements": [
"K",
"I",
"Br"
],
"chemical_system": "Br-I-K",
"density": 3.079505161835479,
"density_atomic": 0.024671695590207914,
"volume": 243.1936620676113,
"volume_molar": 24.409107748517137,
"formula_full": "K3 I2 Br1",
"formula_reduced": "K3I2Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-53194",
"created_at": "2022-09-04T14:38:13.300890Z",
"updated_at": "2022-09-04T14:38:13.300920Z",
"structure_string": "Ga1 P1 O4\n1.0\n4.464324 0.175186 2.434441\n1.653275 4.150610 2.434440\n-0.000000 0.000000 4.868880\nGa P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 P\n0.281343 -0.011080 0.145543 O\n-0.011080 0.281344 0.584195 O\n0.145543 0.584195 -0.011081 O\n0.584194 0.145544 0.281344 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"P",
"O"
],
"chemical_system": "Ga-O-P",
"density": 3.079449162788039,
"density_atomic": 0.06756106075318753,
"volume": 88.80855233932839,
"volume_molar": 8.91362671465438,
"formula_full": "Ga1 P1 O4",
"formula_reduced": "GaPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8895503041666672,
"spacegroup": 82
},
{
"id": "jvasp-32119",
"created_at": "2022-09-04T14:36:52.527552Z",
"updated_at": "2022-09-04T14:36:52.527572Z",
"structure_string": "H8 W2 N2 Cl12\n1.0\n0.000000 6.229761 0.000000\n-6.013017 3.114881 -0.038922\n-2.383704 -0.000000 11.922336\nH W N Cl\n8 2 2 12\ndirect\n0.013406 0.982593 0.820579 H\n0.884275 0.857370 0.754354 H\n0.004000 0.982593 0.320579 H\n0.258355 0.857370 0.254354 H\n0.741645 0.142629 0.745646 H\n0.996000 0.017407 0.679422 H\n0.115725 0.142630 0.245646 H\n0.986594 0.017407 0.179422 H\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.090593 -0.000000 0.250000 N\n0.909407 -0.000001 0.750000 N\n0.312589 0.164894 0.603288 Cl\n0.477482 0.835105 0.896713 Cl\n0.687411 0.835105 0.396712 Cl\n0.208257 0.700209 0.534361 Cl\n0.802695 0.576268 0.663872 Cl\n0.378965 0.423731 0.836128 Cl\n0.091533 0.700209 0.034360 Cl\n0.908467 0.299791 0.965640 Cl\n0.621035 0.576268 0.163872 Cl\n0.197305 0.423732 0.336128 Cl\n0.791743 0.299792 0.465640 Cl\n0.522518 0.164895 0.103288 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"W",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-W",
"density": 3.0790576312549383,
"density_atomic": 0.0536691079416664,
"volume": 447.1846266959736,
"volume_molar": 11.220869865296693,
"formula_full": "H8 W2 N2 Cl12",
"formula_reduced": "H4WNCl6",
"formula_anonymous": "ABC4D6",
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"spacegroup": 15
},
{
"id": "jvasp-25875",
"created_at": "2022-09-04T14:37:38.185458Z",
"updated_at": "2022-09-04T14:37:38.185483Z",
"structure_string": "Nb4 Cl12 O4\n1.0\n10.862003 0.000000 0.000000\n-0.000000 10.862003 0.000000\n-0.000000 0.000000 3.936044\nNb Cl O\n4 12 4\ndirect\n0.628656 0.871343 0.705501 Nb\n0.128657 0.628656 0.294498 Nb\n0.371343 0.128657 0.705501 Nb\n0.871343 0.371343 0.294498 Nb\n0.107772 0.838930 0.247141 Cl\n0.338930 0.607772 0.247141 Cl\n0.661070 0.392228 0.247141 Cl\n0.606570 0.106570 0.760520 Cl\n0.892227 0.161070 0.247141 Cl\n0.392228 0.338930 0.752858 Cl\n0.607772 0.661070 0.752858 Cl\n0.893430 0.606570 0.239479 Cl\n0.393430 0.893430 0.760520 Cl\n0.161070 0.107772 0.752858 Cl\n0.838930 0.892227 0.752858 Cl\n0.106570 0.393430 0.239479 Cl\n0.116765 0.616765 0.755761 O\n0.616765 0.883235 0.244238 O\n0.383235 0.116765 0.244238 O\n0.883235 0.383235 0.755761 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Cl",
"O"
],
"chemical_system": "Cl-Nb-O",
"density": 3.0789475233281354,
"density_atomic": 0.043067554721545914,
"volume": 464.38670895783093,
"volume_molar": 13.983010642086054,
"formula_full": "Nb4 Cl12 O4",
"formula_reduced": "NbCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4086730204999998,
"spacegroup": 113
},
{
"id": "jvasp-100078",
"created_at": "2022-09-04T14:36:46.957532Z",
"updated_at": "2022-09-04T14:36:46.957550Z",
"structure_string": "K3 Al1 Br6\n1.0\n6.760486 -0.000000 3.903169\n2.253495 6.373848 3.903169\n-0.000000 -0.000000 7.806337\nK Al Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.773488 0.226513 0.226513 Br\n0.226513 0.226513 0.773487 Br\n0.226513 0.773487 0.773487 Br\n0.226513 0.773487 0.226513 Br\n0.773488 0.226513 0.773487 Br\n0.773488 0.773487 0.226513 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"Br"
],
"chemical_system": "Al-Br-K",
"density": 3.078918767321305,
"density_atomic": 0.029728505969054797,
"volume": 336.3774826225465,
"volume_molar": 20.25712548847429,
"formula_full": "K3 Al1 Br6",
"formula_reduced": "K3AlBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22728",
"created_at": "2022-09-04T14:36:11.690374Z",
"updated_at": "2022-09-04T14:36:11.690396Z",
"structure_string": "Ca2 Sn1 S4\n1.0\n0.000000 0.000000 -3.868185\n-6.939795 0.050151 0.000000\n2.275465 6.556335 0.000000\nCa Sn S\n2 1 4\ndirect\n0.500001 -0.000000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.232242 0.767758 S\n0.000000 0.767757 0.232242 S\n0.500001 0.777293 0.777294 S\n0.500001 0.222706 0.222706 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.0786566989401662,
"density_atomic": 0.03967300917505543,
"volume": 176.44237595169056,
"volume_molar": 15.179440342998852,
"formula_full": "Ca2 Sn1 S4",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9444303628571428,
"spacegroup": 65
},
{
"id": "jvasp-112386",
"created_at": "2022-09-04T14:38:40.009144Z",
"updated_at": "2022-09-04T14:38:40.009171Z",
"structure_string": "Na2 Cr4 S8\n1.0\n6.324016 -0.000000 3.651172\n2.108005 5.962339 3.651172\n-0.000000 -0.000000 7.302345\nNa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.625001 0.625000 0.624999 Cr\n0.125001 0.625000 0.624999 Cr\n0.625000 0.125000 0.624999 Cr\n0.625001 0.625000 0.124999 Cr\n0.857067 0.857066 0.857064 S\n0.821200 0.392934 0.392933 S\n0.392934 0.392934 0.821198 S\n0.392935 0.821199 0.392933 S\n0.857067 0.857066 0.428799 S\n0.857067 0.428801 0.857065 S\n0.392934 0.392934 0.392933 S\n0.428802 0.857066 0.857065 S\n",
"nsites": 14,
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"elements": [
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"Cr",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.0786421239126227,
"density_atomic": 0.050845914545327345,
"volume": 275.3416892033576,
"volume_molar": 11.843902924848512,
"formula_full": "Na2 Cr4 S8",
"formula_reduced": "Na(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5693534,
"spacegroup": 227
},
{
"id": "jvasp-118576",
"created_at": "2022-09-04T14:38:35.094327Z",
"updated_at": "2022-09-04T14:38:35.094354Z",
"structure_string": "K2 Se2\n1.0\n4.520912 -0.384668 -0.583535\n-0.631126 -4.508961 -1.826210\n1.456810 0.465716 -6.116374\nK Se\n2 2\ndirect\n-0.051383 0.115766 -0.132765 K\n0.706014 0.612587 0.365595 K\n0.415096 0.563434 0.935184 Se\n0.239498 0.164796 0.297782 Se\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.03140415480645364,
"volume": 127.37168137949664,
"volume_molar": 19.176254852629995,
"formula_full": "K2 Se2",
"formula_reduced": "KSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0585233416666666,
"spacegroup": 12
},
{
"id": "jvasp-44558",
"created_at": "2022-09-04T14:38:12.925216Z",
"updated_at": "2022-09-04T14:38:12.925230Z",
"structure_string": "K6 Zn2 P2 C2 O14\n1.0\n0.000000 5.600674 -0.021348\n6.815533 0.000000 0.000000\n0.000000 -0.069025 -9.544491\nK Zn P C O\n6 2 2 2 14\ndirect\n0.755929 0.250000 0.070774 K\n0.255220 0.009547 0.284590 K\n0.255220 0.490453 0.284590 K\n0.744780 0.509547 0.715410 K\n0.744780 0.990453 0.715410 K\n0.244071 0.750000 0.929226 K\n0.759432 0.750000 0.356624 Zn\n0.240569 0.250000 0.643377 Zn\n0.264580 0.750000 0.580510 P\n0.735420 0.250000 0.419490 P\n0.745294 0.750000 0.081003 C\n0.254706 0.250000 0.918997 C\n0.452128 0.250000 0.846483 O\n0.240598 0.933946 0.675682 O\n0.240598 0.566054 0.675682 O\n0.516411 0.750000 0.511464 O\n0.929227 0.250000 0.535075 O\n0.070773 0.750000 0.464925 O\n0.258455 0.250000 0.054377 O\n0.759402 0.433946 0.324318 O\n0.759402 0.066054 0.324318 O\n0.547872 0.750000 0.153518 O\n0.946277 0.750000 0.150368 O\n0.053723 0.250000 0.849632 O\n0.483589 0.250000 0.488536 O\n0.741545 0.750000 0.945623 O\n",
"nsites": 26,
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],
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"volume": 364.3383301548194,
"volume_molar": 8.438833494060288,
"formula_full": "K6 Zn2 P2 C2 O14",
"formula_reduced": "K3ZnPCO7",
"formula_anonymous": "ABCD3E7",
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"spacegroup": 11
},
{
"id": "jvasp-85687",
"created_at": "2022-09-04T14:36:12.656854Z",
"updated_at": "2022-09-04T14:36:12.656865Z",
"structure_string": "Na2 Sn1 H6 O6\n1.0\n2.974541 1.717353 4.694902\n-2.974541 1.717353 4.694902\n0.000000 -3.434704 4.694902\nNa Sn H O\n2 1 6 6\ndirect\n0.667210 0.667210 0.667210 Na\n0.332790 0.332790 0.332790 Na\n0.000000 0.000000 0.000000 Sn\n0.868736 0.386348 0.188558 H\n0.386348 0.188558 0.868736 H\n0.188558 0.868736 0.386348 H\n0.131264 0.613652 0.811442 H\n0.613651 0.811442 0.131264 H\n0.811442 0.131264 0.613652 H\n0.376013 0.083932 0.784699 O\n0.083931 0.784699 0.376013 O\n0.784699 0.376013 0.083932 O\n0.623986 0.916068 0.215301 O\n0.916068 0.215300 0.623987 O\n0.215300 0.623987 0.916068 O\n",
"nsites": 15,
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"elements": [
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"H",
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],
"chemical_system": "H-Na-O-Sn",
"density": 3.078007284888335,
"density_atomic": 0.10423993055005874,
"volume": 143.89879119112237,
"volume_molar": 5.777191838311913,
"formula_full": "Na2 Sn1 H6 O6",
"formula_reduced": "Na2Sn(HO)6",
"formula_anonymous": "AB2C6D6",
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"spacegroup": 148
},
{
"id": "jvasp-94850",
"created_at": "2022-09-04T14:36:18.062013Z",
"updated_at": "2022-09-04T14:36:18.062037Z",
"structure_string": "Na5 Sn2\n1.0\n-2.707327 -4.689229 0.000000\n2.707327 -4.689229 0.000000\n-0.000000 -3.126152 7.487023\nNa Sn\n5 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.356082 0.356082 0.931755 Na\n0.643918 0.643918 0.068245 Na\n0.213652 0.213652 0.359044 Na\n0.786348 0.786348 0.640956 Na\n0.067688 0.067688 0.796936 Sn\n0.932312 0.932312 0.203063 Sn\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Na-Sn",
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"volume": 190.09965101265095,
"volume_molar": 16.354383668929437,
"formula_full": "Na5 Sn2",
"formula_reduced": "Na5Sn2",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.0,
"spacegroup": 166
}
]
}