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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4120",
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"results": [
{
"id": "jvasp-112405",
"created_at": "2022-09-04T14:38:39.955466Z",
"updated_at": "2022-09-04T14:38:39.955486Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.867974 0.040253 -0.298586\n-0.157473 6.055480 -0.084399\n-0.028492 0.036834 8.360033\nLi Mn O F\n4 8 12 4\ndirect\n0.209060 0.003244 0.106174 Li\n0.709062 0.503244 0.606171 Li\n0.790941 0.996755 0.893825 Li\n0.290939 0.496754 0.393828 Li\n0.250003 0.749994 0.749998 Mn\n0.749996 0.250005 0.250002 Mn\n0.000001 0.500003 0.000000 Mn\n0.500000 -0.000003 0.500000 Mn\n0.750000 0.750003 0.249995 Mn\n-0.000001 -0.000001 0.500000 Mn\n0.500001 0.500002 0.000001 Mn\n0.249999 0.249996 0.750002 Mn\n0.241778 0.287022 0.979375 O\n0.226733 0.725033 0.975894 O\n0.726724 0.225041 0.475893 O\n0.456778 0.501975 0.764451 O\n0.956774 0.001986 0.264450 O\n0.741783 0.787030 0.479372 O\n0.543222 0.498023 0.235547 O\n0.258216 0.212969 0.520626 O\n0.773267 0.274966 0.024106 O\n0.273278 0.774958 0.524107 O\n0.043225 0.998012 0.735549 O\n0.758223 0.712977 0.020625 O\n0.472882 0.993847 0.233307 F\n0.527118 0.006151 0.766692 F\n0.027114 0.506157 0.266693 F\n0.972886 0.493841 0.733306 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.1097055115471735,
"density_atomic": 0.09425009233678996,
"volume": 297.08193706533234,
"volume_molar": 6.389533008074617,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.343736466465517,
"spacegroup": 12
},
{
"id": "jvasp-116811",
"created_at": "2022-09-04T14:38:43.369512Z",
"updated_at": "2022-09-04T14:38:43.369537Z",
"structure_string": "Li3 Ti4 V1 O8\n1.0\n5.037187 -0.043247 2.848043\n1.685016 4.747193 2.848043\n-0.087763 -0.061413 5.880740\nLi Ti V O\n3 4 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 -0.000000 Li\n0.500001 0.499999 -0.000001 Ti\n0.000000 0.000000 0.500000 Ti\n0.000001 0.500000 0.499999 Ti\n0.500001 -0.000000 0.499999 Ti\n0.500001 0.500000 0.499999 V\n0.749038 0.749036 0.757581 O\n0.251213 0.757615 0.241595 O\n0.747671 0.747669 0.259563 O\n0.242385 0.748788 0.758404 O\n0.757617 0.251212 0.241595 O\n0.252331 0.252330 0.740436 O\n0.748789 0.242384 0.758404 O\n0.250964 0.250964 0.242417 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.548233418942702,
"density_atomic": 0.11201702483816736,
"volume": 142.8354308027323,
"volume_molar": 5.3760941863080856,
"formula_full": "Li3 Ti4 V1 O8",
"formula_reduced": "Li3Ti4VO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.029327845833333,
"spacegroup": 12
},
{
"id": "jvasp-110394",
"created_at": "2022-09-04T14:38:38.524600Z",
"updated_at": "2022-09-04T14:38:38.524624Z",
"structure_string": "Zn2 O4 F4\n1.0\n3.064768 -0.127114 -0.863367\n-1.196180 6.433440 -4.362855\n-0.549210 -3.052721 9.479222\nZn O F\n2 4 4\ndirect\n0.500016 0.250002 0.250001 Zn\n0.499985 0.749999 0.749999 Zn\n0.458901 0.843724 0.272507 O\n0.541124 0.656278 0.227495 O\n0.541100 0.156277 0.727494 O\n0.458877 0.343724 0.772506 O\n0.161094 0.296949 0.419941 F\n0.838909 0.203052 0.080058 F\n0.838907 0.703052 0.580059 F\n0.161092 0.796950 0.919942 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"O",
"F"
],
"chemical_system": "F-O-Zn",
"density": 3.2554486128701123,
"density_atomic": 0.07239328968067349,
"volume": 138.13434980106527,
"volume_molar": 8.318644982930929,
"formula_full": "Zn2 O4 F4",
"formula_reduced": "Zn(OF)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3526395929999996,
"spacegroup": 12
},
{
"id": "jvasp-110450",
"created_at": "2022-09-04T14:38:38.802311Z",
"updated_at": "2022-09-04T14:38:38.802336Z",
"structure_string": "Mg2 Sn2\n1.0\n5.764442 -0.030441 1.531227\n4.774641 3.229943 1.531227\n0.003780 0.001147 5.180750\nMg Sn\n2 2\ndirect\n0.372546 0.372547 0.773289 Mg\n0.627454 0.627453 0.226712 Mg\n0.114154 0.114155 0.737993 Sn\n0.885845 0.885845 0.262009 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.886871418987632,
"density_atomic": 0.04115572152758052,
"volume": 97.19183266704239,
"volume_molar": 14.632572426082389,
"formula_full": "Mg2 Sn2",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2595078714285714,
"spacegroup": 12
},
{
"id": "jvasp-110736",
"created_at": "2022-09-04T14:38:39.983104Z",
"updated_at": "2022-09-04T14:38:39.983132Z",
"structure_string": "Ta2 O5\n1.0\n5.132060 -0.182271 2.076006\n-0.340946 5.123965 2.076006\n0.217727 0.224570 3.830694\nTa O\n2 5\ndirect\n0.200247 0.231471 0.970031 Ta\n0.768528 0.799754 0.029969 Ta\n0.484801 0.515199 0.500000 O\n-0.015155 0.515942 -0.000607 O\n0.864378 0.895858 0.393740 O\n0.104143 0.135622 0.606261 O\n0.484059 0.015155 0.000608 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.679880947793931,
"density_atomic": 0.07326331138022725,
"volume": 95.54577684416819,
"volume_molar": 8.219858816844704,
"formula_full": "Ta2 O5",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.7248137,
"spacegroup": 12
},
{
"id": "jvasp-110982",
"created_at": "2022-09-04T14:38:38.980770Z",
"updated_at": "2022-09-04T14:38:38.980802Z",
"structure_string": "Tb2 Ga2 Au2\n1.0\n4.513140 0.016668 3.488006\n2.265750 3.903216 3.488006\n0.001253 0.000725 7.154903\nTb Ga Au\n2 2 2\ndirect\n0.536823 0.536824 0.702142 Tb\n0.463176 0.463177 0.297859 Tb\n0.843270 0.843272 0.104021 Ga\n0.156729 0.156729 0.895981 Ga\n0.177311 0.177312 0.286527 Au\n0.822688 0.822689 0.713474 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Tb",
"density": 11.24090149603971,
"density_atomic": 0.04771516792284207,
"volume": 125.74617802251719,
"volume_molar": 12.62101973472695,
"formula_full": "Tb2 Ga2 Au2",
"formula_reduced": "TbGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1430727650000001,
"spacegroup": 12
},
{
"id": "jvasp-110511",
"created_at": "2022-09-04T14:38:39.240733Z",
"updated_at": "2022-09-04T14:38:39.240743Z",
"structure_string": "Si2 P4 Ir1\n1.0\n4.691424 0.003907 1.596340\n-1.146115 4.549275 1.596340\n0.007531 0.009671 5.611640\nSi P Ir\n2 4 1\ndirect\n0.587538 0.587539 0.137725 Si\n0.412460 0.412460 0.862276 Si\n0.711744 0.160580 0.343314 P\n0.839419 0.288255 0.656687 P\n0.160579 0.711744 0.343314 P\n0.288254 0.839419 0.656687 P\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"P",
"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.166777061096308,
"density_atomic": 0.05850532609733455,
"volume": 119.64722644830988,
"volume_molar": 10.293320560218815,
"formula_full": "Si2 P4 Ir1",
"formula_reduced": "Si2P4Ir",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.679350042857143,
"spacegroup": 12
},
{
"id": "jvasp-100417",
"created_at": "2022-09-04T14:38:39.591969Z",
"updated_at": "2022-09-04T14:38:39.591991Z",
"structure_string": "Co1 Rh2 O6\n1.0\n4.986586 0.016501 0.915967\n-2.541719 4.291008 0.911617\n0.914387 1.605331 5.389520\nCo Rh O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.656770 0.343235 0.000003 Rh\n0.343231 0.656765 -0.000002 Rh\n0.857423 0.183559 0.206279 O\n0.183318 0.857682 0.206268 O\n0.537559 0.537853 0.234851 O\n0.142577 0.816440 0.793722 O\n0.462441 0.462146 0.765150 O\n0.816681 0.142317 0.793733 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"Rh",
"O"
],
"chemical_system": "Co-O-Rh",
"density": 5.934866599338139,
"density_atomic": 0.08916806787117815,
"volume": 100.93299333346972,
"volume_molar": 6.753696590914403,
"formula_full": "Co1 Rh2 O6",
"formula_reduced": "Co(RhO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.000220877777778,
"spacegroup": 12
},
{
"id": "jvasp-29355",
"created_at": "2022-09-04T14:38:39.462913Z",
"updated_at": "2022-09-04T14:38:39.462938Z",
"structure_string": "Ta4 Te6\n1.0\n3.474962 0.000099 0.593240\n1.662141 7.422427 0.738379\n0.000810 0.102557 10.468264\nTa Te\n4 6\ndirect\n0.417064 0.020778 0.145076 Ta\n0.582935 0.979222 0.854924 Ta\n0.225497 0.937153 0.611903 Ta\n0.774502 0.062848 0.388097 Ta\n0.431599 0.772618 0.364206 Te\n0.568400 0.227383 0.635794 Te\n0.192066 0.330589 0.285175 Te\n0.807933 0.669412 0.714824 Te\n0.102494 0.765425 0.029608 Te\n0.897505 0.234576 0.970391 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 9.165507269891254,
"density_atomic": 0.0370594126487057,
"volume": 269.83698027791735,
"volume_molar": 16.249962774869623,
"formula_full": "Ta4 Te6",
"formula_reduced": "Ta2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.3790043399999994,
"spacegroup": 12
},
{
"id": "jvasp-110507",
"created_at": "2022-09-04T14:38:39.466112Z",
"updated_at": "2022-09-04T14:38:39.466139Z",
"structure_string": "Pr4 Ge4 Ru2\n1.0\n5.370464 0.014499 2.817722\n3.588989 3.995153 2.817722\n-0.007876 -0.003525 10.730630\nPr Ge Ru\n4 4 2\ndirect\n0.004478 0.004478 0.326120 Pr\n0.995521 0.995522 0.673880 Pr\n0.815028 0.815029 0.107625 Pr\n0.184970 0.184972 0.892375 Pr\n0.657453 0.657454 0.430282 Ge\n0.342546 0.342547 0.569718 Ge\n0.504083 0.504083 0.128973 Ge\n0.495915 0.495918 0.871027 Ge\n0.722539 0.722541 0.623251 Ru\n0.277459 0.277460 0.376749 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ge",
"Ru"
],
"chemical_system": "Ge-Pr-Ru",
"density": 7.633656791062762,
"density_atomic": 0.04351947744881806,
"volume": 229.7821707937715,
"volume_molar": 13.83780576658453,
"formula_full": "Pr4 Ge4 Ru2",
"formula_reduced": "Pr2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87832442,
"spacegroup": 12
},
{
"id": "jvasp-112400",
"created_at": "2022-09-04T14:38:39.663345Z",
"updated_at": "2022-09-04T14:38:39.663362Z",
"structure_string": "Fe4 H8 O8\n1.0\n3.128321 0.000204 -0.526812\n1.543744 5.385102 -0.381308\n0.006766 0.124008 9.600389\nFe H O\n4 8 8\ndirect\n0.435188 0.491504 0.505152 Fe\n0.171296 0.258497 0.744851 Fe\n0.935333 -0.008673 0.005144 Fe\n0.671151 0.758674 0.244858 Fe\n0.238480 0.406896 0.027084 H\n0.479400 0.676589 0.778991 H\n0.979081 0.176871 0.278854 H\n0.738291 0.907065 0.527098 H\n0.868173 0.842928 0.722901 H\n0.127065 0.073407 0.471009 H\n0.367979 0.343105 0.222915 H\n0.627374 0.573131 0.971143 H\n0.533368 0.517830 0.728239 O\n0.317132 0.498574 0.276606 O\n0.073114 0.232167 0.521762 O\n0.817256 -0.001595 0.776588 O\n0.573255 0.732014 0.021771 O\n0.033224 0.017989 0.228228 O\n0.789226 0.751592 0.473413 O\n0.289351 0.251428 0.973395 O\n",
"nsites": 20,
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"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.689012183184555,
"density_atomic": 0.12361356417121441,
"volume": 161.79454199943982,
"volume_molar": 4.871747530601793,
"formula_full": "Fe4 H8 O8",
"formula_reduced": "Fe(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6622064999999995,
"spacegroup": 12
},
{
"id": "jvasp-112912",
"created_at": "2022-09-04T14:38:41.784085Z",
"updated_at": "2022-09-04T14:38:41.784112Z",
"structure_string": "Li8 Co6 O14\n1.0\n10.186223 -0.027924 0.817544\n-9.125665 4.525721 0.817544\n-0.003092 -0.013115 4.925349\nLi Co O\n8 6 14\ndirect\n0.858757 0.141245 0.499999 Li\n0.286620 0.713382 0.499999 Li\n0.713382 0.286620 0.499999 Li\n0.141245 0.858756 0.499999 Li\n0.567466 0.432536 0.499999 Li\n0.000001 0.000001 0.500000 Li\n0.432536 0.567465 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n0.213991 0.786009 -0.000001 Co\n0.786010 0.213991 -0.000001 Co\n0.641295 0.358706 -0.000001 Co\n0.070195 0.929805 -0.000001 Co\n0.929806 0.070195 -0.000001 Co\n0.358706 0.641295 -0.000001 Co\n0.826948 0.674229 0.775362 O\n0.383457 0.097621 0.781406 O\n0.954482 0.524999 0.781937 O\n0.524998 0.954481 0.781937 O\n0.097621 0.383456 0.781406 O\n0.173054 0.325773 0.224636 O\n0.780394 0.780394 0.229032 O\n0.902381 0.616545 0.218592 O\n0.475004 0.045521 0.218061 O\n0.045521 0.475003 0.218061 O\n0.616545 0.902381 0.218592 O\n0.219608 0.219608 0.770966 O\n0.325773 0.173054 0.224636 O\n0.674229 0.826948 0.775362 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.651397165469215,
"density_atomic": 0.12388170345706556,
"volume": 226.02207766463374,
"volume_molar": 4.861202737728845,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.480327657142857,
"spacegroup": 12
}
]
}