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=nsites&page=3580",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3578",
"results": [
{
"id": "jvasp-47035",
"created_at": "2022-09-04T14:38:08.150677Z",
"updated_at": "2022-09-04T14:38:08.150705Z",
"structure_string": "Li3 Ni3 O1 F7\n1.0\n-0.032813 4.183145 4.183145\n4.183145 -0.032813 4.183145\n4.183145 4.183145 -0.032813\nLi Ni O F\n3 3 1 7\ndirect\n-0.000408 -0.000408 -0.000408 Li\n0.254855 0.254855 0.254855 Li\n0.623919 0.623919 0.623919 Li\n0.614678 0.133766 0.614678 Ni\n0.614678 0.614678 0.133766 Ni\n0.133766 0.614678 0.614678 Ni\n0.386727 0.386727 0.386727 O\n0.859099 0.383105 0.383105 F\n0.383105 0.859099 0.383105 F\n0.383105 0.383105 0.859099 F\n0.867581 0.867581 0.394198 F\n0.867581 0.394198 0.867581 F\n0.394198 0.867581 0.867581 F\n0.867127 0.867127 0.867127 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.8776633077821083,
"density_atomic": 0.09451685083009256,
"volume": 148.12173572273355,
"volume_molar": 6.371499586698726,
"formula_full": "Li3 Ni3 O1 F7",
"formula_reduced": "Li3Ni3OF7",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 0.42451519125,
"spacegroup": 160
},
{
"id": "jvasp-45067",
"created_at": "2022-09-04T14:38:08.296204Z",
"updated_at": "2022-09-04T14:38:08.296222Z",
"structure_string": "Mg4 Fe2 O8\n1.0\n0.000000 4.184086 4.184086\n-4.184116 4.184086 0.000000\n-0.000000 -4.184086 4.184086\nMg Fe O\n4 2 8\ndirect\n0.375000 0.750001 0.375000 Mg\n0.875001 0.750001 0.375000 Mg\n0.375000 0.250000 0.875001 Mg\n0.375000 0.250000 0.375000 Mg\n0.750001 0.500000 0.750001 Fe\n0.000000 0.000000 0.000000 Fe\n0.623422 0.753157 0.623435 O\n0.623422 0.753157 0.129722 O\n0.126578 0.746845 0.126565 O\n0.126578 0.746845 0.620279 O\n0.620279 0.253156 0.126578 O\n0.126565 0.253156 0.126578 O\n0.623435 0.246844 0.623422 O\n0.129722 0.246844 0.623422 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 3.8187558659007945,
"density_atomic": 0.09556373574723274,
"volume": 146.4990866099058,
"volume_molar": 6.301700862687742,
"formula_full": "Mg4 Fe2 O8",
"formula_reduced": "Mg2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.538309657142857,
"spacegroup": 227
},
{
"id": "jvasp-9495",
"created_at": "2022-09-04T14:38:08.311852Z",
"updated_at": "2022-09-04T14:38:08.311881Z",
"structure_string": "Sr4 Co2 S2 O6\n1.0\n3.934081 0.000000 0.000000\n0.000000 3.934251 0.000000\n0.000000 0.000000 13.502760\nSr Co S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.141361 Sr\n0.500000 0.000000 0.858639 Sr\n0.000000 0.500000 0.400723 Sr\n0.500000 0.000000 0.599276 Sr\n0.500000 0.000000 0.273984 Co\n0.000000 0.500000 0.726016 Co\n0.500000 0.000000 0.092247 S\n0.000000 0.500000 0.907754 S\n0.000000 0.000000 0.271048 O\n0.500000 0.500000 0.271052 O\n0.500000 0.500000 0.728953 O\n0.000000 0.000000 0.728948 O\n0.500000 0.000000 0.416807 O\n0.000000 0.500000 0.583194 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Co",
"S",
"O"
],
"chemical_system": "Co-O-S-Sr",
"density": 4.993530042227721,
"density_atomic": 0.06698848034386139,
"volume": 208.99115680988749,
"volume_molar": 8.989815456459821,
"formula_full": "Sr4 Co2 S2 O6",
"formula_reduced": "Sr2CoSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.5495420028571434,
"spacegroup": 129
},
{
"id": "jvasp-44514",
"created_at": "2022-09-04T14:38:08.313995Z",
"updated_at": "2022-09-04T14:38:08.314011Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n5.137466 0.117647 0.628830\n2.577566 4.211218 0.335613\n0.828927 0.040749 7.569978\nLi Cr P O\n2 2 2 8\ndirect\n0.342552 0.315678 0.834727 Li\n0.661514 0.667211 0.313214 Li\n0.046857 -0.039859 0.533113 Cr\n-0.017034 -0.024772 -0.020719 Cr\n0.298868 0.368322 0.239716 P\n0.681839 0.659794 0.727773 P\n0.767052 0.297890 0.763312 O\n0.064638 0.281182 0.351488 O\n0.173625 0.524848 0.062514 O\n0.627489 0.062568 0.186282 O\n-0.008238 0.649703 0.718422 O\n0.428206 0.879186 0.886115 O\n0.549596 0.798580 0.556747 O\n0.314476 0.609326 0.339795 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.2083885500633236,
"density_atomic": 0.0878766316796245,
"volume": 159.31425377158723,
"volume_molar": 6.852949009191851,
"formula_full": "Li2 Cr2 P2 O8",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.644023842857144,
"spacegroup": 1
},
{
"id": "jvasp-29296",
"created_at": "2022-09-04T14:38:06.766921Z",
"updated_at": "2022-09-04T14:38:06.766940Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.187744 -0.000000 0.000000\n-0.000000 6.271246 -0.000000\n-0.000000 0.000000 6.271246\nMo P O\n2 2 10\ndirect\n0.804739 0.750000 0.750000 Mo\n0.195259 0.250000 0.250000 Mo\n0.499999 0.750000 0.250000 P\n0.499999 0.250000 0.750000 P\n0.712862 0.799866 0.443711 O\n0.712862 0.056290 0.799866 O\n0.712862 0.443711 0.700135 O\n0.712862 0.700135 0.056290 O\n0.790068 0.250000 0.250000 O\n0.209932 0.750000 0.750000 O\n0.287136 0.299867 0.943710 O\n0.287136 0.200134 0.556290 O\n0.287136 0.943710 0.200134 O\n0.287136 0.556290 0.299867 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 4.172288915890911,
"density_atomic": 0.0850041710546508,
"volume": 164.6978004291005,
"volume_molar": 7.084523836045942,
"formula_full": "Mo2 P2 O10",
"formula_reduced": "MoPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.1191769857142857,
"spacegroup": 85
},
{
"id": "jvasp-46355",
"created_at": "2022-09-04T14:38:06.748002Z",
"updated_at": "2022-09-04T14:38:06.748022Z",
"structure_string": "Nb2 V2 O10\n1.0\n6.769639 0.000000 0.000000\n-0.000000 6.769639 0.000000\n-0.000000 -0.000000 4.116649\nNb V O\n2 2 10\ndirect\n0.500000 -0.000000 0.805456 Nb\n0.000000 0.500000 0.194544 Nb\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.958320 0.793119 0.264006 O\n0.206882 0.958320 0.735994 O\n0.500000 -0.000000 0.244701 O\n0.793119 0.041680 0.735994 O\n0.041680 0.206882 0.264006 O\n0.458320 0.293119 0.735994 O\n0.706882 0.458320 0.264006 O\n0.000000 0.500000 0.755299 O\n0.293119 0.541680 0.264006 O\n0.541680 0.706882 0.735994 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-V",
"density": 3.9405006121596924,
"density_atomic": 0.07420841857827953,
"volume": 188.65784055527274,
"volume_molar": 8.115171937867778,
"formula_full": "Nb2 V2 O10",
"formula_reduced": "NbVO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.199871585714285,
"spacegroup": 85
},
{
"id": "jvasp-12373",
"created_at": "2022-09-04T14:38:13.413242Z",
"updated_at": "2022-09-04T14:38:13.413269Z",
"structure_string": "Cr4 Co2 S8\n1.0\n5.979248 -0.000000 3.452121\n1.993083 5.637290 3.452121\n-0.000000 -0.000000 6.904241\nCr Co S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875000 Co\n0.732788 0.255737 0.255737 S\n0.267212 0.744263 0.744263 S\n0.744262 0.744263 0.744263 S\n0.255737 0.255737 0.732788 S\n0.744263 0.267212 0.744262 S\n0.255737 0.732788 0.255737 S\n0.744262 0.744263 0.267212 S\n0.255737 0.255737 0.255737 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Co",
"S"
],
"chemical_system": "Co-Cr-S",
"density": 4.155428318448156,
"density_atomic": 0.06015824379620072,
"volume": 232.71955955742456,
"volume_molar": 10.0104996090001,
"formula_full": "Cr4 Co2 S8",
"formula_reduced": "Cr2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.234917957142857,
"spacegroup": 227
},
{
"id": "jvasp-44788",
"created_at": "2022-09-04T14:38:13.454374Z",
"updated_at": "2022-09-04T14:38:13.454387Z",
"structure_string": "Li1 Co6 O7\n1.0\n5.102915 -0.001202 -0.029752\n-0.851506 5.027544 -0.007238\n-0.825672 -0.992779 4.938837\nLi Co O\n1 6 7\ndirect\n0.000003 -0.000002 -0.000002 Li\n0.278762 0.571964 0.137772 Co\n0.137642 0.278022 0.571504 Co\n0.427848 0.861999 0.721675 Co\n0.572154 0.137997 0.278337 Co\n0.721223 0.428030 0.862229 Co\n0.862363 0.721982 0.428495 Co\n0.073403 0.642531 0.778221 O\n0.500002 0.500000 0.499999 O\n0.222032 0.926342 0.356990 O\n0.926586 0.357466 0.221769 O\n0.356862 0.221728 0.926331 O\n0.643143 0.778273 0.073676 O\n0.777979 0.073663 0.643005 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 6.202090660183997,
"density_atomic": 0.11065783661875168,
"volume": 126.51611876557877,
"volume_molar": 5.442127682965663,
"formula_full": "Li1 Co6 O7",
"formula_reduced": "LiCo6O7",
"formula_anonymous": "AB6C7",
"energy_above_hull": 3.224502135714286,
"spacegroup": 148
},
{
"id": "jvasp-43070",
"created_at": "2022-09-04T14:38:06.733052Z",
"updated_at": "2022-09-04T14:38:06.733076Z",
"structure_string": "Li4 Mn2 F8\n1.0\n2.933193 0.000000 0.000000\n-1.466596 4.748175 0.000000\n0.000000 -0.000000 9.733823\nLi Mn F\n4 2 8\ndirect\n0.374542 0.749087 0.438113 Li\n0.374542 0.749087 0.061887 Li\n0.625457 0.250914 0.561887 Li\n0.625457 0.250914 0.938113 Li\n0.119499 0.238999 0.250000 Mn\n0.880499 0.761002 0.750000 Mn\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.458215 0.916436 0.250000 F\n0.276855 0.553713 0.617227 F\n0.276855 0.553713 0.882772 F\n0.541783 0.083565 0.750000 F\n0.723143 0.446288 0.117227 F\n0.723143 0.446288 0.382772 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.547625883098554,
"density_atomic": 0.10327072690967751,
"volume": 135.56600615627175,
"volume_molar": 5.831411223886393,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4199054816256155,
"spacegroup": 63
},
{
"id": "jvasp-112339",
"created_at": "2022-09-04T14:38:27.159638Z",
"updated_at": "2022-09-04T14:38:27.159665Z",
"structure_string": "Zn2 Cr4 Se4 S4\n1.0\n6.309722 -0.000000 3.642919\n2.103241 5.948862 3.642919\n-0.000000 -0.000000 7.285839\nZn Cr Se S\n2 4 4 4\ndirect\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.638033 0.120656 0.120656 Cr\n0.120656 0.638033 0.120656 Cr\n0.120656 0.120656 0.638034 Cr\n0.120656 0.120656 0.120656 Cr\n0.905763 0.364745 0.364746 Se\n0.364745 0.905762 0.364746 Se\n0.364745 0.364745 0.905763 Se\n0.364745 0.364745 0.364746 Se\n0.343405 0.885531 0.885532 S\n0.885531 0.343405 0.885532 S\n0.885531 0.885531 0.343405 S\n0.885531 0.885531 0.885532 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Se",
"S"
],
"chemical_system": "Cr-S-Se-Zn",
"density": 4.753713811178267,
"density_atomic": 0.051192265088203216,
"volume": 273.47881512721284,
"volume_molar": 11.763770854100665,
"formula_full": "Zn2 Cr4 Se4 S4",
"formula_reduced": "ZnCr2(SeS)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.274743133333334,
"spacegroup": 216
},
{
"id": "jvasp-44751",
"created_at": "2022-09-04T14:38:13.609889Z",
"updated_at": "2022-09-04T14:38:13.609910Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n-0.000000 3.975506 3.975506\n3.926963 0.054219 3.921287\n3.926963 3.921287 0.054219\nLi Fe Si O\n2 2 2 8\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000001 0.500000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.111157 0.138843 0.138843 Si\n0.888846 0.861156 0.861156 Si\n0.238198 0.254535 0.254535 O\n0.752734 0.254535 0.254535 O\n0.241145 0.759662 0.258047 O\n0.241145 0.258047 0.759662 O\n0.758857 0.741952 0.240337 O\n0.758857 0.240337 0.741952 O\n0.247268 0.745464 0.745464 O\n0.761804 0.745464 0.745464 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 4.259737532051212,
"density_atomic": 0.11594900028006047,
"volume": 120.74274005109774,
"volume_molar": 5.193784116684287,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.443982585714286,
"spacegroup": 74
},
{
"id": "jvasp-22117",
"created_at": "2022-09-04T14:38:13.706637Z",
"updated_at": "2022-09-04T14:38:13.706667Z",
"structure_string": "Nd2 Pd4 O8\n1.0\n5.289096 -0.000000 -2.629637\n-1.307404 5.124962 -2.629637\n-0.014056 -0.018092 6.605635\nNd Pd O\n2 4 8\ndirect\n0.875001 0.625000 0.750000 Nd\n0.125000 0.375000 0.250000 Nd\n0.500000 0.000000 -0.000000 Pd\n-0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500001 0.500000 -0.000000 Pd\n0.826299 0.625970 0.351754 O\n0.725784 0.326298 0.851754 O\n0.125969 0.025456 0.851755 O\n0.525456 0.225783 0.351754 O\n0.173702 0.374030 0.648246 O\n0.274217 0.673702 0.148246 O\n0.474544 0.774216 0.648246 O\n0.874031 0.974544 0.148245 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Pd",
"O"
],
"chemical_system": "Nd-O-Pd",
"density": 7.832113822020875,
"density_atomic": 0.07840860571396864,
"volume": 178.55182951564555,
"volume_molar": 7.680458930705288,
"formula_full": "Nd2 Pd4 O8",
"formula_reduced": "Nd(PdO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.129370985714286,
"spacegroup": 88
}
]
}