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=4502",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4500",
"results": [
{
"id": "jvasp-843",
"created_at": "2022-09-04T14:37:52.334660Z",
"updated_at": "2022-09-04T14:37:52.334681Z",
"structure_string": "C16\n1.0\n4.268256 0.000000 0.000000\n-0.000000 4.931122 0.000000\n0.000000 0.000000 6.747984\nC\n16\ndirect\n0.166694 0.624999 0.750068 C\n0.166693 0.375000 0.249931 C\n0.333307 0.124999 0.249931 C\n0.833307 0.375000 0.249931 C\n0.833307 0.124999 0.750068 C\n0.666694 0.125000 0.249931 C\n0.666694 0.624999 0.249931 C\n0.666694 0.375000 0.750068 C\n0.333307 0.624999 0.249931 C\n0.833307 0.875000 0.249931 C\n0.166694 0.875000 0.249931 C\n0.666694 0.875000 0.750068 C\n0.333307 0.375000 0.750068 C\n0.166693 0.125000 0.750068 C\n0.333307 0.875000 0.750068 C\n0.833307 0.624999 0.750068 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2468141400900814,
"density_atomic": 0.11265480794505504,
"volume": 142.02678333803254,
"volume_molar": 5.345658005947842,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0022199999999994,
"spacegroup": 69
},
{
"id": "jvasp-30458",
"created_at": "2022-09-04T14:38:04.783029Z",
"updated_at": "2022-09-04T14:38:04.783058Z",
"structure_string": "C2\n1.0\n0.000000 -2.465655 -0.000000\n2.134054 -1.232827 0.000219\n0.000389 -1.232827 3.373827\nC\n2\ndirect\n0.166685 0.666623 0.500005 C\n0.833311 0.333376 0.499996 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2469162988433227,
"density_atomic": 0.11265993016434366,
"volume": 17.752540739928406,
"volume_molar": 5.345414959174171,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0025399999999997,
"spacegroup": 69
},
{
"id": "jvasp-25363",
"created_at": "2022-09-04T14:38:19.410926Z",
"updated_at": "2022-09-04T14:38:19.410948Z",
"structure_string": "C2\n1.0\n-0.000000 -2.465655 -0.000000\n2.134054 -1.232828 0.000219\n0.000389 -1.232828 3.373824\nC\n2\ndirect\n0.166686 0.666623 0.500004 C\n0.833315 0.333376 0.499995 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.246918296798455,
"density_atomic": 0.11266003034141113,
"volume": 17.75252495440566,
"volume_molar": 5.345410206042174,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0025399999999997,
"spacegroup": 69
},
{
"id": "jvasp-112172",
"created_at": "2022-09-04T14:38:45.702499Z",
"updated_at": "2022-09-04T14:38:45.702524Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.835747008789563,
"density_atomic": 0.11267023025190653,
"volume": 142.00734270470045,
"volume_molar": 5.344926292007908,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122605234375,
"spacegroup": 1
},
{
"id": "jvasp-1855",
"created_at": "2022-09-04T14:35:47.784534Z",
"updated_at": "2022-09-04T14:35:47.784554Z",
"structure_string": "Li1 Cr1 O2\n1.0\n2.782144 -0.020142 4.209081\n1.250383 2.485412 4.209081\n-0.032946 -0.020142 5.045355\nLi Cr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499998 0.500000 0.500001 Cr\n0.241956 0.241957 0.241957 O\n0.758040 0.758044 0.758044 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.254568996177079,
"density_atomic": 0.11270186307922199,
"volume": 35.49187112539802,
"volume_molar": 5.343426093823163,
"formula_full": "Li1 Cr1 O2",
"formula_reduced": "LiCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0137961,
"spacegroup": 166
},
{
"id": "jvasp-98944",
"created_at": "2022-09-04T14:38:13.224458Z",
"updated_at": "2022-09-04T14:38:13.224487Z",
"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n4.277241 6.830653 -1.817842\n-4.277241 6.830653 1.817842\n0.009967 0.000000 7.891781\nMo H N O F\n4 24 4 12 8\ndirect\n0.984886 0.716570 0.739157 Mo\n0.716571 0.984885 0.760843 Mo\n0.015114 0.283429 0.260843 Mo\n0.283429 0.015114 0.239157 Mo\n0.666754 0.751749 0.327416 H\n0.751749 0.666754 0.172584 H\n0.248251 0.333245 0.827416 H\n0.806579 0.076629 0.368703 H\n0.076629 0.806578 0.131297 H\n0.193421 0.923370 0.631297 H\n0.923371 0.193421 0.868703 H\n0.757969 0.133367 0.145248 H\n0.133367 0.757969 0.354752 H\n0.242031 0.866632 0.854752 H\n0.866632 0.242031 0.645248 H\n0.333245 0.248250 0.672584 H\n0.885669 0.706843 0.338702 H\n0.706843 0.885669 0.161298 H\n0.630739 0.528290 0.865647 H\n0.369261 0.471709 0.134353 H\n0.471709 0.369261 0.365647 H\n0.577922 0.407698 0.733353 H\n0.528291 0.630738 0.634353 H\n0.422078 0.592301 0.266647 H\n0.592301 0.422078 0.233353 H\n0.114331 0.293156 0.661298 H\n0.293157 0.114330 0.838702 H\n0.407699 0.577921 0.766647 H\n0.535498 0.535497 0.750000 N\n0.464502 0.464502 0.250000 N\n0.246535 0.246534 0.750000 N\n0.753465 0.753465 0.250000 N\n0.158093 0.811701 0.243478 O\n0.197834 0.048874 0.446096 O\n0.811701 0.158093 0.256522 O\n0.841907 0.188298 0.756522 O\n0.188299 0.841906 0.743478 O\n0.048874 0.197833 0.053904 O\n0.568874 0.888247 0.767485 O\n0.951126 0.802166 0.946096 O\n0.431126 0.111752 0.232515 O\n0.111752 0.431126 0.267485 O\n0.888248 0.568873 0.732515 O\n0.802166 0.951125 0.553904 O\n0.762198 0.491401 0.086613 F\n0.089309 0.662146 0.532530 F\n0.662146 0.089309 0.967470 F\n0.910690 0.337853 0.467470 F\n0.337854 0.910690 0.032530 F\n0.237802 0.508599 0.913387 F\n0.508599 0.237801 0.586613 F\n0.491401 0.762198 0.413387 F\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Mo",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-Mo-N-O",
"density": 2.9078602926521535,
"density_atomic": 0.11270399951382278,
"volume": 461.3855783673619,
"volume_molar": 5.3433248030043545,
"formula_full": "Mo4 H24 N4 O12 F8",
"formula_reduced": "MoH6NO3F2",
"formula_anonymous": "ABC2D3E6",
"energy_above_hull": 3.060632324230769,
"spacegroup": 15
},
{
"id": "jvasp-77567",
"created_at": "2022-09-04T14:37:10.280046Z",
"updated_at": "2022-09-04T14:37:10.280071Z",
"structure_string": "H3 S1\n1.0\n0.730533 0.421773 -3.670566\n-0.721095 -3.327112 1.611128\n-3.241911 1.039069 1.611128\nH S\n3 1\ndirect\n0.202531 0.429145 0.928669 H\n0.202531 0.928668 0.429145 H\n0.701432 0.700420 0.700419 H\n0.702303 0.941774 0.941773 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.6417770612109097,
"density_atomic": 0.11270840755053003,
"volume": 35.489810271755445,
"volume_molar": 5.343115825055129,
"formula_full": "H3 S1",
"formula_reduced": "H3S",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4958975,
"spacegroup": 107
},
{
"id": "jvasp-113966",
"created_at": "2022-09-04T14:38:49.250044Z",
"updated_at": "2022-09-04T14:38:49.250066Z",
"structure_string": "Li1 B1 C1\n1.0\n2.213912 -0.000000 -0.000000\n-0.000000 2.213912 -0.000000\n-0.000000 -0.000000 5.429900\nLi B C\n1 1 1\ndirect\n0.000000 0.000000 0.001335 Li\n0.000000 0.000000 0.375095 B\n0.000000 0.000000 0.652091 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 1.856987089101102,
"density_atomic": 0.11272200751881499,
"volume": 26.614146305895545,
"volume_molar": 5.3424711753778995,
"formula_full": "Li1 B1 C1",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.720287527777778,
"spacegroup": 99
},
{
"id": "jvasp-99908",
"created_at": "2022-09-04T14:36:31.167036Z",
"updated_at": "2022-09-04T14:36:31.167064Z",
"structure_string": "V1 Cr1 N2\n1.0\n2.975271 -0.000000 0.000000\n-1.487635 2.414115 0.900680\n0.000000 -0.008554 4.937119\nV Cr N\n1 1 2\ndirect\n0.500000 0.000001 0.500000 V\n0.000000 0.000000 0.000000 Cr\n0.251567 0.503135 0.245296 N\n0.748431 0.496864 0.754704 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"N"
],
"chemical_system": "Cr-N-V",
"density": 6.12800620077107,
"density_atomic": 0.11272526649494648,
"volume": 35.484502493319205,
"volume_molar": 5.34231672033348,
"formula_full": "V1 Cr1 N2",
"formula_reduced": "VCrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.645759525,
"spacegroup": 166
},
{
"id": "jvasp-48262",
"created_at": "2022-09-04T14:35:43.003897Z",
"updated_at": "2022-09-04T14:35:43.003932Z",
"structure_string": "Li2 Fe3 O6\n1.0\n-5.044531 -0.061346 -0.037641\n-0.800341 -0.242190 4.780825\n-1.600812 3.904831 2.389958\nLi Fe O\n2 3 6\ndirect\n-0.000001 0.665419 0.667292 Li\n0.000000 0.334583 0.332708 Li\n0.499998 0.322676 0.838662 Fe\n0.500000 0.000001 0.499999 Fe\n0.500001 0.677327 0.161337 Fe\n0.722312 0.000012 0.752470 O\n0.712639 0.658273 0.438407 O\n0.712639 0.341751 0.096668 O\n0.287361 0.658252 0.903331 O\n0.287361 0.341729 0.561592 O\n0.277688 -0.000011 0.247529 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.720938525793691,
"density_atomic": 0.11273129547674152,
"volume": 97.577163053799,
"volume_molar": 5.342031007922263,
"formula_full": "Li2 Fe3 O6",
"formula_reduced": "Li2(FeO2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.722397045454545,
"spacegroup": 12
},
{
"id": "jvasp-54719",
"created_at": "2022-09-04T14:36:56.800535Z",
"updated_at": "2022-09-04T14:36:56.800558Z",
"structure_string": "H4 N2 O3\n1.0\n4.503065 -0.147561 -0.147561\n-0.082744 4.215225 0.138464\n-0.082744 0.138464 4.215225\nH N O\n4 2 3\ndirect\n0.000001 0.238662 0.761336 H\n0.000001 0.704594 0.295404 H\n0.379278 0.337936 0.081889 H\n0.620725 0.918109 0.662062 H\n0.000001 0.054384 0.945614 N\n0.500001 0.589914 0.410085 N\n0.000001 0.533292 0.466706 O\n0.464066 0.559989 0.097594 O\n0.535937 0.902404 0.440009 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.6650789286948258,
"density_atomic": 0.11274646291357496,
"volume": 79.82512060621262,
"volume_molar": 5.341312360828766,
"formula_full": "H4 N2 O3",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.682446333333333,
"spacegroup": 5
},
{
"id": "jvasp-43067",
"created_at": "2022-09-04T14:38:07.043400Z",
"updated_at": "2022-09-04T14:38:07.043423Z",
"structure_string": "Li2 V1 O2\n1.0\n1.588762 -2.751816 -0.000000\n1.588762 2.751816 0.000000\n-0.000000 -0.000000 5.071702\nLi V O\n2 1 2\ndirect\n0.666667 0.333332 0.365353 Li\n0.333332 0.666667 0.634647 Li\n0.000000 0.000000 0.000000 V\n0.666667 0.333332 0.761174 O\n0.333332 0.666667 0.238826 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.625455125263823,
"density_atomic": 0.11274779204246953,
"volume": 44.34676643704574,
"volume_molar": 5.341249394694662,
"formula_full": "Li2 V1 O2",
"formula_reduced": "Li2VO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87271024,
"spacegroup": 164
}
]
}