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=992",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=990",
"results": [
{
"id": "jvasp-43861",
"created_at": "2022-09-04T14:36:33.680379Z",
"updated_at": "2022-09-04T14:36:33.680401Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n2.875036 0.000016 -0.000358\n-0.000108 5.067439 -0.003087\n-1.436820 -2.440979 7.161479\nLi V O F\n4 2 4 2\ndirect\n0.171947 0.503029 0.343999 Li\n0.829430 0.477229 0.658705 Li\n0.337376 0.022779 0.674626 Li\n0.994631 -0.003027 0.989336 Li\n0.662750 0.025328 0.325493 V\n0.503941 0.474670 0.007839 V\n0.083318 0.749999 0.166667 O\n0.583358 0.249997 0.166665 O\n0.244591 0.238116 0.489166 O\n0.922086 0.261883 0.844167 O\n0.749765 0.761446 0.499632 F\n0.416808 0.738552 0.833702 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.687497965454451,
"density_atomic": 0.11503970116383024,
"volume": 104.3118147787134,
"volume_molar": 5.234836929403836,
"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4924885804166674,
"spacegroup": 12
},
{
"id": "jvasp-43199",
"created_at": "2022-09-04T14:37:46.393527Z",
"updated_at": "2022-09-04T14:37:46.393550Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n4.931920 0.000000 0.000000\n-0.000000 6.162467 0.000000\n0.000000 0.000000 10.478681\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.977085 0.250000 0.728616 Mn\n0.522915 0.250000 0.228616 Mn\n0.477085 0.750000 0.771384 Mn\n0.022915 0.750000 0.271384 Mn\n0.574641 0.750000 0.088977 V\n0.925360 0.750000 0.588977 V\n0.074641 0.250000 0.411023 V\n0.425360 0.250000 0.911022 V\n0.220497 0.750000 0.093990 O\n0.279503 0.750000 0.593990 O\n0.709639 0.750000 0.936083 O\n0.790361 0.750000 0.436083 O\n0.775078 0.526079 0.664034 O\n0.724922 0.526079 0.164034 O\n0.224922 0.473922 0.335966 O\n0.224922 0.026079 0.335966 O\n0.290361 0.250000 0.063917 O\n0.720497 0.250000 0.406009 O\n0.779503 0.250000 0.906009 O\n0.209639 0.250000 0.563917 O\n0.775078 0.973922 0.664034 O\n0.275078 0.026079 0.835966 O\n0.275078 0.473922 0.835966 O\n0.724922 0.973922 0.164034 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.6877262051980333,
"density_atomic": 0.08791860365802655,
"volume": 318.4763956091759,
"volume_molar": 6.849677439628225,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7634236344827587,
"spacegroup": 62
},
{
"id": "jvasp-55635",
"created_at": "2022-09-04T14:37:13.350041Z",
"updated_at": "2022-09-04T14:37:13.350106Z",
"structure_string": "U3 Cl18\n1.0\n5.437457 -9.417952 0.000000\n5.437457 9.417952 -0.000000\n-0.000000 0.000000 5.945081\nU Cl\n3 18\ndirect\n0.666667 0.333333 0.516290 U\n0.333333 0.666667 0.483710 U\n0.000000 0.000000 0.000000 U\n0.773673 0.547348 0.275270 Cl\n0.559732 0.119464 0.757559 Cl\n0.880536 0.440268 0.757559 Cl\n0.559732 0.440268 0.757559 Cl\n0.440268 0.559732 0.242441 Cl\n0.119464 0.559732 0.242441 Cl\n0.440268 0.880536 0.242441 Cl\n0.892836 0.785671 0.760035 Cl\n0.214329 0.107164 0.760035 Cl\n0.892836 0.107165 0.760035 Cl\n0.107165 0.892836 0.239965 Cl\n0.785671 0.892836 0.239965 Cl\n0.107164 0.214329 0.239965 Cl\n0.226327 0.773673 0.724730 Cl\n0.547348 0.773673 0.724730 Cl\n0.226327 0.452653 0.724730 Cl\n0.452653 0.226327 0.275270 Cl\n0.773673 0.226327 0.275270 Cl\n",
"nsites": 21,
"nelements": 2,
"elements": [
"U",
"Cl"
],
"chemical_system": "Cl-U",
"density": 3.687763235540718,
"density_atomic": 0.03448888980993292,
"volume": 608.8917363165435,
"volume_molar": 17.461103541423945,
"formula_full": "U3 Cl18",
"formula_reduced": "UCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.8518243435714284,
"spacegroup": 164
},
{
"id": "jvasp-113175",
"created_at": "2022-09-04T14:38:44.935059Z",
"updated_at": "2022-09-04T14:38:44.935074Z",
"structure_string": "Li1 Co1 P2 O7\n1.0\n5.035098 0.030055 0.741480\n-1.238551 4.880482 0.741480\n0.002848 0.003684 4.388164\nLi Co P O\n1 1 2 7\ndirect\n0.690145 0.309854 0.500000 Li\n0.059535 0.940464 0.500000 Co\n0.613225 0.806953 0.091415 P\n0.193046 0.386775 0.908584 P\n0.004746 0.240342 0.224681 O\n0.063177 0.599286 0.757866 O\n0.289168 0.199133 0.691864 O\n0.400713 0.936822 0.242133 O\n0.481219 0.518781 0.000000 O\n0.759658 0.995252 0.775318 O\n0.800866 0.710832 0.308136 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.688325575804632,
"density_atomic": 0.10188070277412611,
"volume": 107.9694161944237,
"volume_molar": 5.910972928162209,
"formula_full": "Li1 Co1 P2 O7",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7636360363636365,
"spacegroup": 5
},
{
"id": "jvasp-108967",
"created_at": "2022-09-04T14:38:20.057528Z",
"updated_at": "2022-09-04T14:38:20.057538Z",
"structure_string": "Li2 Co1 O2\n1.0\n3.538710 -0.002146 -3.526317\n-0.308312 2.679264 -4.205220\n-0.021962 0.002146 4.995688\nLi Co O\n2 1 2\ndirect\n0.804830 0.304829 0.499999 Li\n0.195171 0.695170 0.500000 Li\n0.500000 0.000000 0.500000 Co\n0.356997 0.356996 -0.000001 O\n0.643003 0.643001 -0.000002 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.6883836317998115,
"density_atomic": 0.1059589676705599,
"volume": 47.188077705189095,
"volume_molar": 5.683464922689329,
"formula_full": "Li2 Co1 O2",
"formula_reduced": "Li2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6884475800000005,
"spacegroup": 71
},
{
"id": "jvasp-10321",
"created_at": "2022-09-04T14:37:19.011437Z",
"updated_at": "2022-09-04T14:37:19.011454Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.664573 -0.000308 0.000000\n-1.832709 5.052091 0.000000\n0.000000 0.000000 11.728026\nTi Zn O\n4 2 10\ndirect\n0.207619 0.415273 0.599002 Ti\n0.792380 0.584727 0.400998 Ti\n0.792380 0.584727 0.099002 Ti\n0.207619 0.415273 0.900999 Ti\n0.908977 0.817727 0.750000 Zn\n0.091023 0.182273 0.250000 Zn\n0.697887 0.395783 0.250000 O\n0.302112 0.604217 0.750000 O\n0.234930 0.469877 0.073204 O\n0.765070 0.530123 0.926796 O\n0.765070 0.530123 0.573204 O\n0.234930 0.469877 0.426795 O\n0.042655 0.085473 0.629455 O\n0.957344 0.914525 0.370545 O\n0.042655 0.085473 0.870545 O\n0.957344 0.914525 0.129456 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 3.6884349549670095,
"density_atomic": 0.07369088327309174,
"volume": 217.12319474724504,
"volume_molar": 8.172165256430015,
"formula_full": "Ti4 Zn2 O10",
"formula_reduced": "Ti2ZnO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.2992618208333333,
"spacegroup": 63
},
{
"id": "jvasp-92899",
"created_at": "2022-09-04T14:36:14.471724Z",
"updated_at": "2022-09-04T14:36:14.471750Z",
"structure_string": "Mg6 Sb1 Mo1\n1.0\n6.098076 0.084399 0.000000\n-2.975946 5.323288 0.000000\n0.000000 0.000000 5.002929\nMg Sb Mo\n6 1 1\ndirect\n0.161357 0.824855 0.250000 Mg\n0.675145 0.338643 0.250000 Mg\n0.664985 0.835016 0.250000 Mg\n0.326140 0.652521 0.750000 Mg\n0.847480 0.173860 0.750000 Mg\n0.833253 0.666748 0.750000 Mg\n0.326272 0.173728 0.750000 Sb\n0.165370 0.334630 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"Mo"
],
"chemical_system": "Mg-Mo-Sb",
"density": 3.6884583534888726,
"density_atomic": 0.04888161175096188,
"volume": 163.66072462499312,
"volume_molar": 12.319849007191335,
"formula_full": "Mg6 Sb1 Mo1",
"formula_reduced": "Mg6SbMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3751982875,
"spacegroup": 38
},
{
"id": "jvasp-99667",
"created_at": "2022-09-04T14:36:33.972953Z",
"updated_at": "2022-09-04T14:36:33.972980Z",
"structure_string": "Er2 Cl6\n1.0\n8.948118 0.000000 0.000000\n-4.474059 7.749297 0.000000\n-0.000000 -0.000000 3.552858\nEr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.207636 0.415273 0.250000 Cl\n0.584728 0.792364 0.250000 Cl\n0.207636 0.792364 0.250000 Cl\n0.792364 0.584728 0.750000 Cl\n0.415273 0.207636 0.750000 Cl\n0.792364 0.207636 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Cl"
],
"chemical_system": "Cl-Er",
"density": 3.688517927666965,
"density_atomic": 0.03247267966854552,
"volume": 246.36094346562825,
"volume_molar": 18.545253491455195,
"formula_full": "Er2 Cl6",
"formula_reduced": "ErCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-113189",
"created_at": "2022-09-04T14:38:46.218958Z",
"updated_at": "2022-09-04T14:38:46.218989Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.850017 -0.000000 0.000000\n0.000000 7.462465 0.000000\n-0.000000 -0.000000 9.967952\nK Sr V O\n4 4 4 16\ndirect\n0.484735 0.093534 0.577954 K\n0.515265 0.593534 0.922045 K\n0.015265 0.906465 0.077955 K\n0.984736 0.406465 0.422045 K\n0.978445 0.248897 0.801900 Sr\n0.478445 0.251103 0.198100 Sr\n0.521556 0.751103 0.301900 Sr\n0.021556 0.748896 0.698100 Sr\n0.514874 0.024572 0.915747 V\n0.985127 0.975428 0.415747 V\n0.014874 0.475428 0.084253 V\n0.485127 0.524572 0.584253 V\n0.431363 0.749365 0.563396 O\n0.239358 0.016977 0.330823 O\n0.492821 0.427698 0.425919 O\n0.007179 0.572302 0.925918 O\n0.756280 0.058628 0.325636 O\n0.992821 0.072302 0.574081 O\n0.260643 0.983022 0.830822 O\n0.243721 0.558628 0.174364 O\n0.568637 0.249365 0.936604 O\n0.743721 0.941371 0.825636 O\n0.068637 0.250635 0.063396 O\n0.256279 0.441371 0.674364 O\n0.739358 0.483022 0.669177 O\n0.507180 0.927697 0.074081 O\n0.760643 0.516977 0.169177 O\n0.931364 0.750634 0.436604 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Sr",
"V",
"O"
],
"chemical_system": "K-O-Sr-V",
"density": 3.6886191276827214,
"density_atomic": 0.06434468186460321,
"volume": 435.1563981452077,
"volume_molar": 9.359189579446586,
"formula_full": "K4 Sr4 V4 O16",
"formula_reduced": "KSrVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6276717871428574,
"spacegroup": 19
},
{
"id": "jvasp-48174",
"created_at": "2022-09-04T14:36:18.277631Z",
"updated_at": "2022-09-04T14:36:18.277655Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n-3.052573 6.360333 4.401614\n3.052573 -6.360333 4.401614\n6.104457 -0.000352 0.000000\nLi Mn O F\n4 8 4 12\ndirect\n0.755417 0.532716 0.111345 Li\n0.032716 0.255418 0.388655 Li\n0.984599 0.744757 0.619928 Li\n0.244757 0.484599 0.880073 Li\n0.983776 0.985424 0.999187 Mn\n0.380663 0.116717 0.389189 Mn\n0.616717 0.880663 0.110811 Mn\n0.216269 0.716269 0.250000 Mn\n0.485425 0.483776 0.500814 Mn\n0.786559 0.286559 0.750001 Mn\n0.380674 0.116706 0.874771 Mn\n0.616706 0.880673 0.625230 Mn\n0.460201 0.960201 0.250000 O\n0.545047 0.045047 0.750001 O\n0.281703 0.239193 0.521249 O\n0.739193 0.781703 0.978752 O\n0.889035 0.135809 0.124154 F\n0.988971 0.488971 0.250000 F\n0.635809 0.389035 0.375846 F\n0.367056 0.615476 0.130241 F\n0.889006 0.135837 0.629051 F\n0.728285 0.741604 0.493356 F\n0.115476 0.867055 0.369759 F\n0.367076 0.615427 0.621354 F\n0.635837 0.389006 0.870950 F\n0.015983 0.515983 0.750000 F\n0.241604 0.228286 0.006644 F\n0.115428 0.867075 0.878647 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6887161980568473,
"density_atomic": 0.08192212469524156,
"volume": 341.7880103105575,
"volume_molar": 7.351055386323246,
"formula_full": "Li4 Mn8 O4 F12",
"formula_reduced": "LiMn2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.494339832894089,
"spacegroup": 44
},
{
"id": "jvasp-15832",
"created_at": "2022-09-04T14:35:50.169659Z",
"updated_at": "2022-09-04T14:35:50.169688Z",
"structure_string": "Ni2 S4\n1.0\n4.535841 0.000000 -2.062948\n-0.938250 4.437738 -2.062949\n-0.156763 -0.193372 5.673312\nNi S\n2 4\ndirect\n0.250000 0.750001 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.861610 0.875001 0.250000 S\n0.625000 0.138391 0.750000 S\n0.388391 0.375000 0.250000 S\n0.125001 0.611610 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 3.6888361028150927,
"density_atomic": 0.054260076482329694,
"volume": 110.57853930511794,
"volume_molar": 11.09865881217688,
"formula_full": "Ni2 S4",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4334141333333332,
"spacegroup": 122
},
{
"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,
"nelements": 3,
"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
}
]
}