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=1095",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1093",
"results": [
{
"id": "jvasp-108574",
"created_at": "2022-09-04T14:38:06.473944Z",
"updated_at": "2022-09-04T14:38:06.473976Z",
"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"I"
],
"chemical_system": "I-K-Li-Nd",
"density": 3.8574771432573485,
"density_atomic": 0.023445821377707992,
"volume": 426.5152343738267,
"volume_molar": 25.685347776835744,
"formula_full": "K2 Li1 Nd1 I6",
"formula_reduced": "K2LiNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10973",
"created_at": "2022-09-04T14:37:18.794368Z",
"updated_at": "2022-09-04T14:37:18.794399Z",
"structure_string": "Co1 Hg1 C4 Se4 N4\n1.0\n4.414185 0.000000 1.278485\n2.207092 7.977300 0.639244\n-0.012173 -0.000002 8.301630\nCo Hg C Se N\n1 1 4 4 4\ndirect\n0.250000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Hg\n0.957676 0.208367 0.637748 C\n0.404578 0.637748 0.791633 C\n0.833960 0.362252 0.208367 C\n0.803790 0.791633 0.362252 C\n0.799831 0.032534 0.714379 Se\n0.485792 0.714379 0.967466 Se\n0.167637 0.285621 0.032533 Se\n0.546743 0.967467 0.285621 Se\n0.062452 0.321965 0.586163 N\n0.351386 0.586163 0.678035 N\n-0.029420 0.678035 0.413837 N\n0.615584 0.413837 0.321965 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Co",
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Co-Hg-N-Se",
"density": 3.8578147576220445,
"density_atomic": 0.04787114361503164,
"volume": 292.45175575049285,
"volume_molar": 12.579897418847194,
"formula_full": "Co1 Hg1 C4 Se4 N4",
"formula_reduced": "CoHgC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.607922997619047,
"spacegroup": 82
},
{
"id": "jvasp-107636",
"created_at": "2022-09-04T14:36:55.312514Z",
"updated_at": "2022-09-04T14:36:55.312531Z",
"structure_string": "Na2 Cu1 I2 Cl2\n1.0\n5.361889 0.000000 0.000000\n0.000000 5.361889 0.000000\n-0.000000 0.000000 6.501115\nNa Cu I Cl\n2 1 2 2\ndirect\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 I\n0.500000 0.000000 -0.000000 I\n0.000000 0.000000 0.500000 Cl\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Na",
"Cu",
"I",
"Cl"
],
"chemical_system": "Cl-Cu-I-Na",
"density": 3.8579439645166187,
"density_atomic": 0.03745196020994885,
"volume": 186.90610480090436,
"volume_molar": 16.079641028776543,
"formula_full": "Na2 Cu1 I2 Cl2",
"formula_reduced": "Na2Cu(ICl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-88814",
"created_at": "2022-09-04T14:35:43.716498Z",
"updated_at": "2022-09-04T14:35:43.716534Z",
"structure_string": "Na2 Si4 Cu5 O14\n1.0\n5.788945 0.004839 0.146128\n2.504915 6.516317 3.301045\n-0.004292 -0.036785 7.971395\nNa Si Cu O\n2 4 5 14\ndirect\n0.232375 0.633772 0.056823 Na\n0.767624 0.366228 0.943178 Na\n0.305187 0.284639 0.905942 Si\n0.581985 0.103345 0.318422 Si\n0.418013 0.896655 0.681579 Si\n0.180274 0.932070 0.223276 Si\n0.010184 0.736542 0.632831 Cu\n0.989814 0.263458 0.367169 Cu\n0.819725 0.067930 0.776724 Cu\n0.694812 0.715361 0.094058 Cu\n0.499999 0.500000 0.500000 Cu\n0.806596 0.897289 0.033756 O\n0.511385 0.293981 0.755254 O\n0.488614 0.706019 0.244746 O\n0.811931 0.282547 0.527772 O\n0.715443 0.853063 0.547944 O\n0.939834 0.499130 0.208276 O\n0.060165 0.500870 0.791725 O\n0.284556 0.146937 0.452056 O\n0.909074 0.139983 0.265334 O\n0.090925 0.860017 0.734666 O\n0.188067 0.717453 0.472228 O\n0.193403 0.102711 0.966244 O\n0.418448 0.306402 0.078435 O\n0.581550 0.693598 0.921565 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Na",
"Si",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O-Si",
"density": 3.858129040334984,
"density_atomic": 0.08297415858886693,
"volume": 301.298626285249,
"volume_molar": 7.257850953137622,
"formula_full": "Na2 Si4 Cu5 O14",
"formula_reduced": "Na2Cu5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy_above_hull": 2.109159746,
"spacegroup": 1
},
{
"id": "jvasp-2088",
"created_at": "2022-09-04T14:36:12.730754Z",
"updated_at": "2022-09-04T14:36:12.730781Z",
"structure_string": "Ba2 S6\n1.0\n6.933495 0.000000 0.000000\n0.000000 6.933495 0.000000\n0.000000 0.000000 4.181344\nBa S\n2 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.820106 0.679893 0.478582 S\n0.320106 0.820106 0.521417 S\n0.000000 0.500000 0.206705 S\n0.500000 0.000000 0.793294 S\n0.179894 0.320106 0.478582 S\n0.679893 0.179894 0.521417 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"S"
],
"chemical_system": "Ba-S",
"density": 3.8582163998352508,
"density_atomic": 0.03979877227906192,
"volume": 201.0112257711223,
"volume_molar": 15.131473699172975,
"formula_full": "Ba2 S6",
"formula_reduced": "BaS3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3446699999999998,
"spacegroup": 113
},
{
"id": "jvasp-109809",
"created_at": "2022-09-04T14:38:18.952013Z",
"updated_at": "2022-09-04T14:38:18.952033Z",
"structure_string": "Li2 Mn1 N2\n1.0\n3.015640 0.000126 0.000206\n-1.507934 2.611423 -0.000027\n-0.000260 -0.000208 5.291894\nLi Mn N\n2 1 2\ndirect\n0.666658 0.333350 0.359424 Li\n0.333343 0.666675 0.640575 Li\n-0.000000 0.000015 0.000000 Mn\n0.666677 0.333357 0.795664 N\n0.333324 0.666668 0.204336 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.8583013414272256,
"density_atomic": 0.11997525121925161,
"volume": 41.67526176596731,
"volume_molar": 5.019485851290027,
"formula_full": "Li2 Mn1 N2",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.273594748275862,
"spacegroup": 164
},
{
"id": "jvasp-91481",
"created_at": "2022-09-04T14:35:53.277444Z",
"updated_at": "2022-09-04T14:35:53.277464Z",
"structure_string": "Na6 Fe10 O18\n1.0\n5.195319 -0.003522 -0.048208\n-0.075913 9.007348 0.878298\n-0.006204 -0.020585 9.050362\nNa Fe O\n6 10 18\ndirect\n0.727156 0.682103 0.838177 Na\n0.772846 0.161823 0.317897 Na\n0.272846 0.317898 0.161823 Na\n0.227156 0.838177 0.682103 Na\n0.750001 0.410392 0.589608 Na\n0.250001 0.589609 0.410392 Na\n0.250001 0.060131 0.939869 Fe\n0.750001 0.939870 0.060131 Fe\n0.280918 0.976170 0.296622 Fe\n0.219083 0.703378 0.023831 Fe\n0.719083 0.023831 0.703378 Fe\n0.221901 0.199528 0.568051 Fe\n0.278100 0.431949 0.800473 Fe\n0.778100 0.800473 0.431949 Fe\n0.721901 0.568052 0.199527 Fe\n0.780918 0.296623 0.976169 Fe\n0.676758 0.836897 0.623518 O\n0.070677 0.026235 0.127157 O\n0.429324 0.872844 0.973765 O\n0.929324 0.973766 0.872843 O\n0.570678 0.127157 0.026235 O\n0.323244 0.163104 0.376482 O\n0.176758 0.623519 0.836896 O\n0.823244 0.376482 0.163104 O\n0.870857 0.737471 0.082277 O\n0.358841 0.566419 0.167096 O\n0.858841 0.167096 0.566418 O\n0.641160 0.433582 0.832904 O\n0.370857 0.082278 0.737471 O\n0.129144 0.262530 0.917723 O\n0.629144 0.917723 0.262529 O\n0.750001 0.595848 0.404153 O\n0.141160 0.832905 0.433582 O\n0.250001 0.404153 0.595847 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.8587335833654617,
"density_atomic": 0.08026252102559789,
"volume": 423.609918621376,
"volume_molar": 7.503054580206093,
"formula_full": "Na6 Fe10 O18",
"formula_reduced": "Na3Fe5O9",
"formula_anonymous": "A3B5C9",
"energy_above_hull": 2.621643294117647,
"spacegroup": 15
},
{
"id": "jvasp-21271",
"created_at": "2022-09-04T14:38:13.466402Z",
"updated_at": "2022-09-04T14:38:13.466425Z",
"structure_string": "Sr4 Zr4 S12\n1.0\n6.742349 0.000000 0.000000\n0.000000 7.164048 0.000000\n0.000000 0.000000 9.801066\nSr Zr S\n4 4 12\ndirect\n0.474237 0.081755 0.250000 Sr\n0.974237 0.418245 0.750000 Sr\n0.025763 0.581756 0.250000 Sr\n0.525763 0.918245 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.689797 0.195334 0.550778 S\n0.189797 0.304667 0.449222 S\n0.810203 0.695334 0.550778 S\n0.310203 0.804667 0.449222 S\n0.689797 0.195334 0.949222 S\n0.900084 0.980290 0.250000 S\n0.599916 0.480290 0.250000 S\n0.099916 0.019710 0.750000 S\n0.310203 0.804667 0.050778 S\n0.400084 0.519710 0.750000 S\n0.189797 0.304667 0.050778 S\n0.810203 0.695334 0.949222 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"S"
],
"chemical_system": "S-Sr-Zr",
"density": 3.858871701125425,
"density_atomic": 0.042246133397424994,
"volume": 473.4161067914217,
"volume_molar": 14.25489216574567,
"formula_full": "Sr4 Zr4 S12",
"formula_reduced": "SrZrS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.612770162,
"spacegroup": 62
},
{
"id": "jvasp-11692",
"created_at": "2022-09-04T14:38:13.716963Z",
"updated_at": "2022-09-04T14:38:13.716986Z",
"structure_string": "Rb1 Fe1 Mo2 O8\n1.0\n2.799233 -4.848415 -0.000000\n2.799233 4.848415 0.000000\n-0.000000 -0.000000 7.310989\nRb Fe Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666666 0.774105 Mo\n0.666666 0.333333 0.225895 Mo\n0.842275 0.157724 0.150071 O\n0.315449 0.157724 0.150071 O\n0.842275 0.684550 0.150071 O\n0.157724 0.315449 0.849929 O\n0.333333 0.666666 0.536196 O\n0.666666 0.333333 0.463804 O\n0.684550 0.842275 0.849929 O\n0.157724 0.842275 0.849929 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Rb",
"density": 3.8590653612169175,
"density_atomic": 0.060469487016972814,
"volume": 198.44719365044048,
"volume_molar": 9.958974446582758,
"formula_full": "Rb1 Fe1 Mo2 O8",
"formula_reduced": "RbFe(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.266152941666667,
"spacegroup": 164
},
{
"id": "jvasp-104730",
"created_at": "2022-09-04T14:36:49.028319Z",
"updated_at": "2022-09-04T14:36:49.028334Z",
"structure_string": "La1 Be1 Al3\n1.0\n4.005469 -0.016942 -4.682515\n-0.559203 3.966278 -4.682515\n0.014784 0.016942 6.161940\nLa Be Al\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500001 Be\n0.750000 0.250000 0.500001 Al\n0.620016 0.620016 0.000002 Al\n0.379985 0.379985 0.000001 Al\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Be",
"Al"
],
"chemical_system": "Al-Be-La",
"density": 3.859277904367848,
"density_atomic": 0.050775330952332345,
"volume": 98.47301644757329,
"volume_molar": 11.86036732218163,
"formula_full": "La1 Be1 Al3",
"formula_reduced": "LaBeAl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8039579,
"spacegroup": 119
},
{
"id": "jvasp-21017",
"created_at": "2022-09-04T14:38:17.561196Z",
"updated_at": "2022-09-04T14:38:17.561204Z",
"structure_string": "Tb8 P8 S32\n1.0\n9.613210 0.000000 -4.707702\n-2.305417 9.332677 -4.707702\n0.011141 0.014229 12.191775\nTb P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Tb\n0.875000 0.625000 0.750000 Tb\n0.625000 0.875000 0.250000 Tb\n0.375000 0.625000 0.750000 Tb\n0.625000 0.375000 0.250000 Tb\n0.125000 0.875000 0.250000 Tb\n0.875000 0.125000 0.750000 Tb\n0.375000 0.125000 0.750000 Tb\n0.287586 0.250000 0.500000 P\n0.787586 0.250000 0.500000 P\n0.750000 0.787587 0.000000 P\n0.250000 0.712414 0.000000 P\n0.712413 0.750000 0.500000 P\n0.212413 0.750000 0.500000 P\n0.250000 0.212414 0.000000 P\n0.750000 0.287587 0.000000 P\n0.909413 0.885102 0.993193 S\n0.165044 0.729484 0.821845 S\n0.090586 0.114898 0.006807 S\n0.391910 0.090587 0.506807 S\n0.114898 0.916221 0.506807 S\n0.108090 0.583780 0.493193 S\n0.409413 0.108090 0.993193 S\n0.907638 0.843199 0.678155 S\n0.385102 0.409414 0.493193 S\n0.916220 0.391910 0.006807 S\n0.583779 0.385102 0.993193 S\n0.770516 0.334956 0.678155 S\n0.843199 0.770517 0.178155 S\n0.334956 0.907639 0.178155 S\n0.608090 0.909414 0.493193 S\n0.885102 0.083780 0.493193 S\n0.416220 0.614898 0.006807 S\n0.590586 0.891910 0.006807 S\n0.891910 0.416221 0.506807 S\n0.614898 0.590587 0.506807 S\n0.343199 0.407639 0.178155 S\n0.083779 0.608091 0.993193 S\n0.270516 0.343199 0.678155 S\n0.665044 0.092361 0.821845 S\n0.156801 0.229484 0.821845 S\n0.229483 0.665044 0.321845 S\n0.092361 0.156801 0.321845 S\n0.656801 0.592362 0.821845 S\n0.729483 0.656801 0.321845 S\n0.592361 0.165044 0.321845 S\n0.407638 0.834956 0.678155 S\n0.834956 0.270516 0.178155 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Tb",
"P",
"S"
],
"chemical_system": "P-S-Tb",
"density": 3.859497849346679,
"density_atomic": 0.04383172779231619,
"volume": 1095.0971457806534,
"volume_molar": 13.739227412011115,
"formula_full": "Tb8 P8 S32",
"formula_reduced": "TbPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.028318983333333,
"spacegroup": 142
},
{
"id": "jvasp-49238",
"created_at": "2022-09-04T14:38:34.108655Z",
"updated_at": "2022-09-04T14:38:34.108679Z",
"structure_string": "Zn4 P6 S1 N12\n1.0\n6.718808 -0.000000 -2.375457\n-3.359403 5.818659 -2.375457\n0.000000 0.000000 7.126371\nZn P S N\n4 6 1 12\ndirect\n0.331361 0.331361 0.331361 Zn\n-0.000000 -0.000000 0.668639 Zn\n0.000000 0.668639 -0.000000 Zn\n0.668639 0.000000 -0.000000 Zn\n0.500000 0.250000 0.750000 P\n0.500001 0.750000 0.250000 P\n0.250000 0.500000 0.750000 P\n0.750001 0.500000 0.250000 P\n0.250001 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.000000 0.000000 0.000000 S\n0.449466 0.729528 -0.000000 N\n0.000000 0.449465 0.729528 N\n0.729528 0.449465 -0.000000 N\n0.000000 0.729528 0.449465 N\n0.719938 0.270472 0.270472 N\n0.270473 0.719938 0.270472 N\n0.729528 0.000000 0.449465 N\n0.280063 0.550535 0.550534 N\n0.550535 0.280063 0.550534 N\n0.270472 0.270472 0.719937 N\n0.550535 0.550535 0.280062 N\n0.449465 -0.000000 0.729528 N\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Zn",
"P",
"S",
"N"
],
"chemical_system": "N-P-S-Zn",
"density": 3.8600101653914676,
"density_atomic": 0.08255516904463557,
"volume": 278.60157354368033,
"volume_molar": 7.294686486250152,
"formula_full": "Zn4 P6 S1 N12",
"formula_reduced": "Zn4P6SN12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 4.142859721739131,
"spacegroup": 217
}
]
}