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_atomic&page=99",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=97",
"results": [
{
"id": "jvasp-62662",
"created_at": "2022-09-04T14:35:58.775413Z",
"updated_at": "2022-09-04T14:35:58.775444Z",
"structure_string": "Na4 B4 H32 N8\n1.0\n0.000000 7.474775 -0.063990\n6.331148 0.000000 0.000000\n0.000000 -2.726094 -8.620425\nNa B H N\n4 4 32 8\ndirect\n0.596357 0.738052 0.650425 Na\n0.403643 0.238052 0.849576 Na\n0.403643 0.261949 0.349576 Na\n0.596357 0.761949 0.150425 Na\n0.319086 0.726048 0.333078 B\n0.680913 0.226048 0.166922 B\n0.680914 0.273952 0.666923 B\n0.319087 0.773952 0.833078 B\n0.558607 0.137041 0.636058 H\n0.441394 0.637041 0.863942 H\n0.336452 0.611994 0.447115 H\n0.663547 0.111993 0.052886 H\n0.663548 0.388007 0.552886 H\n0.336453 0.888007 0.947115 H\n0.164133 0.810040 0.297572 H\n0.334218 0.617007 0.224113 H\n0.835867 0.189960 0.702429 H\n0.164133 0.689960 0.797572 H\n0.558606 0.362960 0.136058 H\n0.665782 0.117006 0.275888 H\n0.665782 0.382994 0.775888 H\n0.334218 0.882994 0.724113 H\n0.835867 0.310040 0.202428 H\n0.441394 0.862960 0.363942 H\n0.808622 0.526374 0.418439 H\n0.191378 0.026374 0.081561 H\n0.972832 0.695344 0.106828 H\n0.027168 0.195343 0.393172 H\n0.027168 0.304657 0.893173 H\n0.814774 0.539457 0.989049 H\n0.185227 0.039457 0.510952 H\n0.185226 0.460543 0.010951 H\n0.972833 0.804657 0.606828 H\n0.963549 0.821321 0.869554 H\n0.036451 0.321320 0.630447 H\n0.036451 0.178680 0.130446 H\n0.963549 0.678680 0.369554 H\n0.808622 0.973626 0.918439 H\n0.191378 0.473626 0.581562 H\n0.814773 0.960544 0.489049 H\n0.156939 0.307684 0.974097 N\n0.837175 0.821536 0.893618 N\n0.162825 0.321536 0.606383 N\n0.162825 0.178464 0.106383 N\n0.837175 0.678464 0.393618 N\n0.843061 0.692316 0.025904 N\n0.156939 0.192316 0.474096 N\n0.843061 0.807684 0.525904 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"B",
"H",
"N"
],
"chemical_system": "B-H-N-Na",
"density": 1.134655981588091,
"density_atomic": 0.1173431710418598,
"volume": 409.056612104653,
"volume_molar": 5.132076035214459,
"formula_full": "Na4 B4 H32 N8",
"formula_reduced": "NaB(H4N)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.505299840277777,
"spacegroup": 14
},
{
"id": "jvasp-101914",
"created_at": "2022-09-04T14:36:47.430153Z",
"updated_at": "2022-09-04T14:36:47.430171Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.457697 -0.016288 -0.430454\n-2.184252 4.351939 -0.360312\n-0.026727 0.590933 9.607275\nZn H C O\n1 10 7 4\ndirect\n0.902239 0.355219 0.820640 Zn\n0.968588 0.196297 0.478286 H\n0.386911 0.627440 0.191512 H\n0.089846 0.671172 0.285015 H\n0.471445 0.224628 0.341933 H\n0.761035 0.200373 0.236044 H\n0.122170 0.093326 0.109213 H\n0.891153 0.697886 0.051239 H\n0.431854 0.999980 0.586388 H\n0.310456 0.625517 0.507633 H\n0.844635 0.830438 0.395307 H\n0.732778 0.780317 0.664311 C\n0.525231 0.842626 0.547280 C\n0.748539 0.988873 0.431399 C\n0.573545 0.070050 0.305746 C\n0.292733 0.792997 0.220662 C\n0.142589 0.880550 0.086959 C\n0.366913 0.928739 0.973041 C\n0.602345 0.197977 0.968080 O\n0.948454 0.999194 0.748007 O\n0.699339 0.507161 0.668097 O\n0.331575 0.701883 0.893398 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9800048327460489,
"density_atomic": 0.11733943273298107,
"volume": 187.4902535967039,
"volume_molar": 5.1322395376702135,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.3669374727272725,
"spacegroup": 1
},
{
"id": "jvasp-112246",
"created_at": "2022-09-04T14:38:46.660505Z",
"updated_at": "2022-09-04T14:38:46.660533Z",
"structure_string": "H20 C14 O10\n1.0\n5.077646 0.000000 -0.324795\n0.000000 7.692900 0.000000\n-0.004335 0.000000 9.600215\nH C O\n20 14 10\ndirect\n0.580382 0.066294 0.264059 H\n0.880453 0.833504 0.309586 H\n0.119547 0.333504 0.690413 H\n0.683728 0.144773 0.774062 H\n0.316272 0.644773 0.225937 H\n0.928072 0.094749 0.909404 H\n0.071928 0.594749 0.090595 H\n0.031527 0.521029 0.265080 H\n0.390139 0.764976 0.967185 H\n0.609861 0.264976 0.032814 H\n0.968473 0.021029 0.734919 H\n0.379735 0.408001 0.941539 H\n0.360629 -0.007148 0.942507 H\n0.639370 0.492852 0.057492 H\n0.408576 0.615144 0.485384 H\n0.591424 0.115144 0.514615 H\n0.663785 0.463551 0.529959 H\n0.336214 0.963551 0.470040 H\n0.419618 0.566294 0.735940 H\n0.620265 0.908001 0.058460 H\n0.320040 0.380222 0.159855 C\n0.825728 0.046123 0.813218 C\n0.174272 0.546123 0.186781 C\n0.501725 0.886147 0.960490 C\n0.498275 0.386147 0.039509 C\n0.679960 0.880222 0.840144 C\n0.805579 0.712265 0.478972 C\n0.829531 0.605410 0.786712 C\n0.601166 0.599629 0.541342 C\n0.398833 0.099629 0.458657 C\n0.581715 0.642238 0.694858 C\n0.418285 0.142238 0.305141 C\n0.170469 0.105410 0.213287 C\n0.194420 0.212265 0.521027 C\n0.458950 0.325187 0.286941 O\n0.120191 0.240670 0.128340 O\n0.879809 0.740670 0.871659 O\n0.037636 0.972172 0.205611 O\n0.962364 0.472172 0.794388 O\n-0.015693 0.252301 0.459139 O\n0.015692 0.752301 0.540860 O\n0.264015 0.262764 0.652348 O\n0.735985 0.762764 0.347651 O\n0.541050 0.825187 0.713058 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5423569401042825,
"density_atomic": 0.11733612851065463,
"volume": 374.99106676256673,
"volume_molar": 5.132384063151668,
"formula_full": "H20 C14 O10",
"formula_reduced": "H10C7O5",
"formula_anonymous": "A5B7C10",
"energy_above_hull": 4.596890795454546,
"spacegroup": 4
},
{
"id": "jvasp-87027",
"created_at": "2022-09-04T14:35:52.205112Z",
"updated_at": "2022-09-04T14:35:52.205140Z",
"structure_string": "B5 W2\n1.0\n3.032009 0.004752 6.774531\n1.450666 2.662456 6.774531\n0.007986 0.004752 7.422080\nB W\n5 2\ndirect\n0.500002 0.500000 0.499998 B\n0.814749 0.814747 0.814744 B\n0.330888 0.330887 0.330885 B\n0.669116 0.669114 0.669111 B\n0.185254 0.185253 0.185253 B\n0.922973 0.922970 0.922967 W\n0.077030 0.077030 0.077030 W\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 11.73642806298264,
"density_atomic": 0.11731275632215583,
"volume": 59.66955529351902,
"volume_molar": 5.133406586631066,
"formula_full": "B5 W2",
"formula_reduced": "B5W2",
"formula_anonymous": "A2B5",
"energy_above_hull": 6.267884702380953,
"spacegroup": 166
},
{
"id": "jvasp-8598",
"created_at": "2022-09-04T14:36:39.132129Z",
"updated_at": "2022-09-04T14:36:39.132163Z",
"structure_string": "Cu1 H4 O2 F2\n1.0\n3.151833 -0.621793 -0.883308\n-1.476247 5.120982 -0.302551\n-0.862004 0.336326 5.257294\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.992290 0.229803 0.554276 H\n0.992289 0.554277 0.229801 H\n0.007709 0.770198 0.445723 H\n0.007710 0.445724 0.770198 H\n-0.000000 0.739424 0.260575 O\n0.000001 0.260576 0.739424 O\n0.052244 0.762674 0.762674 F\n0.947755 0.237327 0.237326 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cu",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O",
"density": 2.9773713017261008,
"density_atomic": 0.11729838844721152,
"volume": 76.72739684782901,
"volume_molar": 5.134035377400074,
"formula_full": "Cu1 H4 O2 F2",
"formula_reduced": "CuH4(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7552008905555554,
"spacegroup": 12
},
{
"id": "jvasp-54823",
"created_at": "2022-09-04T14:37:32.356853Z",
"updated_at": "2022-09-04T14:37:32.356875Z",
"structure_string": "B10 W4\n1.0\n1.547161 -2.679762 -0.000000\n1.547161 2.679762 0.000000\n0.000000 -0.000000 14.395001\nB W\n10 4\ndirect\n0.333333 0.666666 0.973192 B\n0.666666 0.333333 0.473192 B\n0.000000 0.000000 0.000000 B\n0.333333 0.666666 0.526808 B\n0.000000 0.000000 0.250000 B\n0.666666 0.333333 0.250000 B\n0.666666 0.333333 0.026808 B\n0.333333 0.666666 0.750000 B\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.500000 B\n0.666666 0.333333 0.865338 W\n0.333333 0.666666 0.134662 W\n0.333333 0.666666 0.365338 W\n0.666666 0.333333 0.634662 W\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 11.733979067129557,
"density_atomic": 0.1172882771150065,
"volume": 119.3640178231313,
"volume_molar": 5.134477978643182,
"formula_full": "B10 W4",
"formula_reduced": "B5W2",
"formula_anonymous": "A2B5",
"energy_above_hull": 6.269343273809524,
"spacegroup": 194
},
{
"id": "jvasp-90347",
"created_at": "2022-09-04T14:36:16.988434Z",
"updated_at": "2022-09-04T14:36:16.988458Z",
"structure_string": "Cu1 H4 O2 F2\n1.0\n0.796663 0.000000 -3.236417\n-3.580249 -3.680937 1.458190\n-3.580249 3.680937 1.458190\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.007849 0.770248 0.445764 H\n0.007849 0.445764 0.770248 H\n0.992153 0.229753 0.554236 H\n0.992153 0.554236 0.229753 H\n0.000000 0.739436 0.260565 O\n0.000000 0.260565 0.739436 O\n0.947261 0.237214 0.237214 F\n0.052741 0.762787 0.762787 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cu",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O",
"density": 2.9764493254365174,
"density_atomic": 0.11726206569066046,
"volume": 76.7511637032062,
"volume_molar": 5.135625681272341,
"formula_full": "Cu1 H4 O2 F2",
"formula_reduced": "CuH4(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7552020016666663,
"spacegroup": 12
},
{
"id": "jvasp-37763",
"created_at": "2022-09-04T14:38:04.820228Z",
"updated_at": "2022-09-04T14:38:04.820264Z",
"structure_string": "Li1 Be1 O3\n1.0\n3.493790 0.000000 0.000000\n0.000000 3.493790 -0.000000\n0.000000 -0.000000 3.493790\nLi Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Be",
"O"
],
"chemical_system": "Be-Li-O",
"density": 2.4900532763618983,
"density_atomic": 0.1172410264357746,
"volume": 42.64718718356695,
"volume_molar": 5.136547284750162,
"formula_full": "Li1 Be1 O3",
"formula_reduced": "LiBeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.85253332,
"spacegroup": 221
},
{
"id": "jvasp-103967",
"created_at": "2022-09-04T14:36:30.893046Z",
"updated_at": "2022-09-04T14:36:30.893083Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n4.021440 0.085083 0.140409\n0.859958 3.987264 0.730895\n0.061545 0.236442 10.197469\nCd H C O\n1 8 6 4\ndirect\n0.698199 0.971888 0.205013 Cd\n0.505777 -0.004498 0.502602 H\n0.382166 0.401564 0.546542 H\n0.977676 0.846499 0.615747 H\n0.526866 0.699202 0.746026 H\n0.014183 0.542302 0.863459 H\n0.890570 0.948320 0.907444 H\n0.869480 0.244756 0.663995 H\n0.418614 0.097428 0.794303 H\n0.323374 0.614636 0.013305 C\n0.109437 0.751855 0.887113 C\n0.310347 0.898664 0.767555 C\n0.072995 0.329155 0.396715 C\n0.286909 0.191988 0.522912 C\n0.085977 0.045259 0.642478 C\n0.257124 0.765675 0.112816 O\n0.829294 0.589458 0.395311 O\n0.139293 0.178126 0.297204 O\n0.567023 0.354288 0.014710 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6284463261687443,
"density_atomic": 0.11723431655739829,
"volume": 162.0685867239013,
"volume_molar": 5.136841273818952,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253316513157895,
"spacegroup": 2
},
{
"id": "jvasp-52734",
"created_at": "2022-09-04T14:37:30.652951Z",
"updated_at": "2022-09-04T14:37:30.652969Z",
"structure_string": "Cr2 H1 O4\n1.0\n0.000000 4.270087 0.011937\n2.948154 0.000000 0.000000\n0.000000 -0.224016 -4.744716\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Cr\n0.500000 0.499999 -0.000000 H\n0.264811 0.000000 0.332934 O\n0.258342 0.499999 0.853377 O\n0.741658 0.499999 0.146623 O\n0.735189 0.000000 0.667067 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.698835132513371,
"density_atomic": 0.11720826923522965,
"volume": 59.72274862238123,
"volume_molar": 5.1379828396867975,
"formula_full": "Cr2 H1 O4",
"formula_reduced": "Cr2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.284166971428572,
"spacegroup": 10
},
{
"id": "jvasp-100464",
"created_at": "2022-09-04T14:36:31.926753Z",
"updated_at": "2022-09-04T14:36:31.926769Z",
"structure_string": "Cr2 H1 O4\n1.0\n2.948247 0.000000 0.000000\n0.000000 4.265372 0.200622\n0.000000 0.014043 4.749988\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Cr\n0.500000 0.500000 -0.000000 H\n0.000000 0.264812 0.667062 O\n0.500000 0.258348 0.146623 O\n0.500000 0.741651 0.853377 O\n0.000000 0.735187 0.332938 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.698693301905697,
"density_atomic": 0.11720473139668433,
"volume": 59.724551360543686,
"volume_molar": 5.138137930300623,
"formula_full": "Cr2 H1 O4",
"formula_reduced": "Cr2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.284166971428572,
"spacegroup": 10
},
{
"id": "jvasp-44357",
"created_at": "2022-09-04T14:38:11.062283Z",
"updated_at": "2022-09-04T14:38:11.062307Z",
"structure_string": "Li2 Ti1 Fe1 O4\n1.0\n0.000000 5.135924 -0.108870\n2.933732 0.000000 0.000000\n0.000000 -1.605011 -4.496648\nLi Ti Fe O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Fe\n0.731791 0.000000 0.234265 O\n0.735652 0.500000 0.739155 O\n0.268209 0.000000 0.765736 O\n0.264347 0.500000 0.260846 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.4171620966166705,
"density_atomic": 0.11718943790243588,
"volume": 68.26553777534343,
"volume_molar": 5.138808469252693,
"formula_full": "Li2 Ti1 Fe1 O4",
"formula_reduced": "Li2TiFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.3669634791666665,
"spacegroup": 10
}
]
}