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=506",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=504",
"results": [
{
"id": "jvasp-114334",
"created_at": "2022-09-04T14:38:40.705553Z",
"updated_at": "2022-09-04T14:38:40.705572Z",
"structure_string": "Li1 Y1 P1\n1.0\n3.001161 0.000000 0.000000\n-0.000000 3.001161 0.000000\n-0.000000 0.000000 8.179103\nLi Y P\n1 1 1\ndirect\n0.000000 0.000000 0.396338 Li\n0.000000 0.000000 0.017278 Y\n0.000000 0.000000 0.689399 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Y",
"P"
],
"chemical_system": "Li-P-Y",
"density": 2.858608471663827,
"density_atomic": 0.04072273977049681,
"volume": 73.66891365628271,
"volume_molar": 14.788152255814024,
"formula_full": "Li1 Y1 P1",
"formula_reduced": "LiYP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0263469833333336,
"spacegroup": 99
},
{
"id": "jvasp-106417",
"created_at": "2022-09-04T14:36:57.911297Z",
"updated_at": "2022-09-04T14:36:57.911306Z",
"structure_string": "K2 Rb1 Ti1 F6\n1.0\n5.579405 -0.000000 3.221271\n1.859802 5.260313 3.221271\n-0.000000 -0.000000 6.442542\nK Rb Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ti\n0.216838 0.216838 0.783162 F\n0.216838 0.783162 0.783162 F\n0.783163 0.783162 0.216837 F\n0.216838 0.783162 0.216838 F\n0.783163 0.216838 0.783162 F\n0.783163 0.216838 0.216837 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ti",
"F"
],
"chemical_system": "F-K-Rb-Ti",
"density": 2.858725589781069,
"density_atomic": 0.0528863101838581,
"volume": 189.08484946738048,
"volume_molar": 11.386955790759762,
"formula_full": "K2 Rb1 Ti1 F6",
"formula_reduced": "K2RbTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-52430",
"created_at": "2022-09-04T14:38:15.155317Z",
"updated_at": "2022-09-04T14:38:15.155341Z",
"structure_string": "K4 Na2 Fe1 H3 F12\n1.0\n0.000000 5.751218 -0.007468\n5.915750 0.000000 0.000000\n0.000000 -0.572973 -8.351328\nK Na Fe H F\n4 2 1 3 12\ndirect\n0.946319 0.499294 0.244050 K\n0.515821 0.985164 0.731543 K\n0.053682 0.499294 0.755951 K\n0.484180 0.985164 0.268458 K\n0.000000 0.008296 0.000000 Na\n0.500000 0.486966 0.500000 Na\n0.000000 0.990162 0.500000 Fe\n0.631384 0.389656 0.874116 H\n0.368617 0.389656 0.125884 H\n0.500000 0.754547 0.000000 H\n0.700409 0.771739 0.011750 F\n0.299592 0.771739 0.988251 F\n0.469509 0.475799 0.236713 F\n0.530492 0.475799 0.763287 F\n0.744265 0.289340 0.963901 F\n0.230877 0.763085 0.504300 F\n0.230059 0.215211 0.504906 F\n0.011425 0.990726 0.725558 F\n0.988576 0.990726 0.274442 F\n0.769124 0.763085 0.495701 F\n0.255736 0.289340 0.036100 F\n0.769942 0.215211 0.495094 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Na",
"Fe",
"H",
"F"
],
"chemical_system": "F-Fe-H-K-Na",
"density": 2.8588512321528827,
"density_atomic": 0.07742100569941612,
"volume": 284.16060733457914,
"volume_molar": 7.778432617345109,
"formula_full": "K4 Na2 Fe1 H3 F12",
"formula_reduced": "K4Na2FeH3F12",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 0.1322440404545458,
"spacegroup": 3
},
{
"id": "jvasp-80622",
"created_at": "2022-09-04T14:37:15.529173Z",
"updated_at": "2022-09-04T14:37:15.529211Z",
"structure_string": "Ca2 Zn1 Ge1\n1.0\n-10.266222 -0.000000 -5.927206\n-6.728371 -1.463225 -0.200533\n-4.975093 3.495791 -3.237297\nCa Zn Ge\n2 1 1\ndirect\n0.749883 -0.000001 -0.000000 Ca\n0.250117 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000001 -0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ge"
],
"chemical_system": "Ca-Ge-Zn",
"density": 2.859020081120677,
"density_atomic": 0.03156191905799649,
"volume": 126.73500596240092,
"volume_molar": 19.08040112812544,
"formula_full": "Ca2 Zn1 Ge1",
"formula_reduced": "Ca2ZnGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.104957605,
"spacegroup": 71
},
{
"id": "jvasp-117294",
"created_at": "2022-09-04T14:38:26.106573Z",
"updated_at": "2022-09-04T14:38:26.106583Z",
"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n4.956982 -0.168591 -0.412461\n-0.260954 6.130285 -0.467696\n-0.069804 -0.473766 8.478466\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.736686 0.542839 0.242719 Li\n0.201694 0.526933 0.816034 Li\n0.362840 0.006222 0.778845 Li\n0.182539 0.225835 0.329148 Mn\n0.796360 0.762020 0.649726 Mn\n0.278149 0.754267 0.419510 P\n0.717508 0.242781 0.564486 P\n0.255296 0.255332 0.060478 C\n0.741391 0.741475 0.937610 C\n0.522847 0.732840 0.835826 O\n0.873127 0.455243 0.654227 O\n0.717153 0.069627 0.681343 O\n0.176789 0.836350 0.581166 O\n0.416561 0.286643 0.522399 O\n0.583075 0.705158 0.444791 O\n0.447948 0.291544 0.181054 O\n0.109467 0.538319 0.341568 O\n0.249434 0.923788 0.301041 O\n0.293662 0.271390 0.918048 O\n0.745017 0.705373 0.076712 O\n0.021196 0.200909 0.109930 O\n0.850410 0.162818 0.412589 O\n0.966767 0.788480 0.867810 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.8590356569433752,
"density_atomic": 0.08986592742492798,
"volume": 255.936823433038,
"volume_molar": 6.701250332091397,
"formula_full": "Li3 Mn2 P2 C2 O14",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy_above_hull": 3.3628636731634183,
"spacegroup": 1
},
{
"id": "jvasp-94170",
"created_at": "2022-09-04T14:35:42.210861Z",
"updated_at": "2022-09-04T14:35:42.210887Z",
"structure_string": "Mg6 V1 Co1\n1.0\n6.225671 -0.186463 0.000000\n-3.274317 5.298357 0.000000\n0.000000 0.000000 4.587229\nMg V Co\n6 1 1\ndirect\n0.178687 0.848842 0.250000 Mg\n0.651159 0.321313 0.250000 Mg\n0.672337 0.827664 0.250000 Mg\n0.319850 0.659127 0.750000 Mg\n0.840873 0.180151 0.750000 Mg\n0.831382 0.668618 0.750000 Mg\n0.303017 0.196984 0.750000 V\n0.202696 0.297305 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Co"
],
"chemical_system": "Co-Mg-V",
"density": 2.8590630355688536,
"density_atomic": 0.053867388075478514,
"volume": 148.51286252807486,
"volume_molar": 11.179567035182453,
"formula_full": "Mg6 V1 Co1",
"formula_reduced": "Mg6VCo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.397328675,
"spacegroup": 38
},
{
"id": "jvasp-21532",
"created_at": "2022-09-04T14:35:59.051662Z",
"updated_at": "2022-09-04T14:35:59.051684Z",
"structure_string": "Zr4 P8 O28\n1.0\n8.508759 -0.000000 -0.000000\n-0.000000 8.508759 -0.000000\n-0.000000 -0.000000 8.508759\nZr P O\n4 8 28\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.392586 0.392586 0.392586 P\n0.107414 0.607414 0.892586 P\n0.892586 0.107414 0.607414 P\n0.607414 0.892586 0.107414 P\n0.892586 0.392586 0.107414 P\n0.107414 0.892586 0.392586 P\n0.392586 0.107414 0.892586 P\n0.607414 0.607414 0.607414 P\n0.078783 0.557072 0.723772 O\n0.276228 0.578783 0.942929 O\n0.921217 0.057072 0.776228 O\n0.776228 0.921217 0.057072 O\n0.578783 0.942929 0.276228 O\n0.578783 0.557072 0.776228 O\n0.942929 0.276228 0.578783 O\n0.557072 0.723772 0.078783 O\n0.057072 0.776228 0.921217 O\n0.557072 0.776228 0.578783 O\n0.223772 0.421217 0.442928 O\n0.723772 0.078783 0.557072 O\n0.421217 0.442928 0.223772 O\n0.276228 0.921217 0.442928 O\n0.078783 0.942929 0.223772 O\n0.223772 0.078783 0.942929 O\n0.921217 0.442928 0.276228 O\n0.421217 0.057072 0.723772 O\n0.776228 0.578783 0.557072 O\n0.057072 0.723772 0.421217 O\n0.442928 0.276228 0.921217 O\n0.942929 0.223772 0.078783 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.442928 0.223772 0.421217 O\n0.723772 0.421217 0.057072 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Zr",
"density": 2.85910711117021,
"density_atomic": 0.0649323801198602,
"volume": 616.0254702840565,
"volume_molar": 9.274480234489465,
"formula_full": "Zr4 P8 O28",
"formula_reduced": "ZrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.97821,
"spacegroup": 205
},
{
"id": "jvasp-68435",
"created_at": "2022-09-04T14:36:11.614693Z",
"updated_at": "2022-09-04T14:36:11.614704Z",
"structure_string": "Li1 Be2 V1\n1.0\n2.504769 0.000000 -0.000000\n0.000000 2.504769 0.000000\n0.000000 -0.000000 7.026094\nLi Be V\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.746905 Be\n0.000000 0.000000 0.253094 Be\n0.500000 0.500000 0.500000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"V"
],
"chemical_system": "Be-Li-V",
"density": 2.8594389709876915,
"density_atomic": 0.09074248665505813,
"volume": 44.08078450842226,
"volume_molar": 6.636517228023657,
"formula_full": "Li1 Be2 V1",
"formula_reduced": "LiBe2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2033841,
"spacegroup": 123
},
{
"id": "jvasp-57182",
"created_at": "2022-09-04T14:37:51.777306Z",
"updated_at": "2022-09-04T14:37:51.777320Z",
"structure_string": "Ca4 Al6 O13\n1.0\n6.946485 -0.000000 -2.455954\n-3.473242 6.015832 -2.455954\n0.000000 0.000000 7.367859\nCa Al O\n4 6 13\ndirect\n-0.000000 -0.000000 0.685563 Ca\n0.685564 0.000000 0.000001 Ca\n0.314437 0.314436 0.314437 Ca\n0.000000 0.685563 0.000000 Ca\n0.750001 0.500000 0.250001 Al\n0.250000 0.750000 0.500001 Al\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750001 Al\n0.500000 0.750000 0.250001 Al\n0.750001 0.250000 0.500001 Al\n0.000000 0.533044 0.254745 O\n0.533045 0.254744 0.000001 O\n0.278299 0.745255 0.745256 O\n0.745256 0.278299 0.745256 O\n0.254745 -0.000000 0.533045 O\n0.721701 0.466955 0.466956 O\n0.533045 0.000000 0.254745 O\n0.466956 0.721701 0.466956 O\n0.000000 0.254744 0.533045 O\n0.466956 0.466955 0.721701 O\n0.254745 0.533044 0.000000 O\n0.745256 0.745255 0.278300 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ca",
"Al",
"O"
],
"chemical_system": "Al-Ca-O",
"density": 2.8594422687326237,
"density_atomic": 0.07470088175213573,
"volume": 307.8946253447995,
"volume_molar": 8.061672926408027,
"formula_full": "Ca4 Al6 O13",
"formula_reduced": "Ca4Al6O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 2.0614649556521742,
"spacegroup": 217
},
{
"id": "jvasp-119300",
"created_at": "2022-09-04T14:38:50.409397Z",
"updated_at": "2022-09-04T14:38:50.409427Z",
"structure_string": "Ni1 N2 F14\n1.0\n5.757202 0.046412 -3.233788\n-1.950707 5.416850 -3.233788\n-0.032337 -0.046412 6.603159\nNi N F\n1 2 14\ndirect\n0.000000 0.000000 0.000000 Ni\n0.749999 0.250000 0.499999 N\n0.249999 0.750000 0.500000 N\n0.252781 0.688178 0.274493 F\n0.586316 0.021712 0.274493 F\n0.021712 0.747219 0.435396 F\n0.311822 0.586316 0.564603 F\n0.747218 0.311822 0.725506 F\n0.805314 0.805314 -0.000001 F\n0.194686 0.194686 -0.000000 F\n0.761640 0.866028 0.627669 F\n0.866028 0.238359 0.104387 F\n0.133971 0.761641 0.895612 F\n0.238359 0.133972 0.372330 F\n0.413683 0.978288 0.725506 F\n0.688177 0.413684 0.435396 F\n0.978287 0.252781 0.564603 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ni",
"N",
"F"
],
"chemical_system": "F-N-Ni",
"density": 2.8595335831789215,
"density_atomic": 0.08300585356029529,
"volume": 204.80483328385068,
"volume_molar": 7.255079613904012,
"formula_full": "Ni1 N2 F14",
"formula_reduced": "Ni(NF7)2",
"formula_anonymous": "AB2C14",
"energy_above_hull": 0.6419784032352941,
"spacegroup": 87
},
{
"id": "jvasp-35174",
"created_at": "2022-09-04T14:37:29.538253Z",
"updated_at": "2022-09-04T14:37:29.538260Z",
"structure_string": "Li2 Ca2 Mg2 Si2 N6\n1.0\n-5.533322 0.000000 0.676214\n-2.766661 -4.938711 0.338107\n0.014741 0.000000 6.008632\nLi Ca Mg Si N\n2 2 2 2 6\ndirect\n0.680378 0.000000 0.091204 Li\n0.319622 0.000000 0.908795 Li\n0.319664 0.360672 0.500000 Ca\n0.680335 0.639328 0.500000 Ca\n0.235530 0.528941 0.000000 Mg\n0.764470 0.471059 -0.000000 Mg\n0.130207 0.000000 0.320670 Si\n0.869792 0.000000 0.679329 Si\n0.807340 0.000000 0.389109 N\n0.192659 0.000000 0.610890 N\n0.607915 0.290725 0.810574 N\n0.898640 0.709275 0.810574 N\n0.392085 0.709275 0.189425 N\n0.101359 0.290725 0.189425 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Mg",
"Si",
"N"
],
"chemical_system": "Ca-Li-Mg-N-Si",
"density": 2.859657727526712,
"density_atomic": 0.08523592625997121,
"volume": 164.2499895795082,
"volume_molar": 7.065261121973797,
"formula_full": "Li2 Ca2 Mg2 Si2 N6",
"formula_reduced": "LiCaMgSiN3",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 2.7637654028571426,
"spacegroup": 12
},
{
"id": "jvasp-48229",
"created_at": "2022-09-04T14:38:11.424168Z",
"updated_at": "2022-09-04T14:38:11.424185Z",
"structure_string": "Fe4 C6 O18\n1.0\n7.575500 -0.000510 -0.012585\n-2.482652 7.157105 0.007472\n-2.472710 -3.492434 6.251077\nFe C O\n4 6 18\ndirect\n0.042550 0.547780 0.163660 Fe\n0.164276 0.042482 0.547237 Fe\n0.450337 0.450271 0.449718 Fe\n0.547848 0.164207 0.041931 Fe\n0.946202 0.174930 0.256137 C\n0.599972 0.410994 0.806634 C\n0.807259 0.599906 0.410460 C\n0.256718 0.946148 0.174374 C\n0.175003 0.256676 0.945607 C\n0.411062 0.807185 0.599349 C\n0.352792 0.315237 0.109007 O\n0.978810 0.709459 0.405960 O\n0.740363 0.396961 0.345507 O\n0.684495 0.473362 0.704346 O\n0.704982 0.684437 0.472836 O\n0.709528 0.406492 0.978183 O\n0.315267 0.109543 0.352165 O\n0.397032 0.346051 0.739764 O\n0.109591 0.352712 0.314658 O\n0.473428 0.704900 0.683875 O\n0.346113 0.740296 0.396404 O\n0.406573 0.978740 0.708906 O\n0.949255 0.081226 0.368658 O\n0.093956 0.078285 0.774710 O\n0.078334 0.775236 0.093322 O\n0.081270 0.369165 0.948633 O\n0.369213 0.949188 0.080645 O\n0.775285 0.093850 0.077753 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-O",
"density": 2.85968974054281,
"density_atomic": 0.08264880212479872,
"volume": 338.7828895296066,
"volume_molar": 7.286422313667218,
"formula_full": "Fe4 C6 O18",
"formula_reduced": "Fe2(CO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 4.03042732142857,
"spacegroup": 146
}
]
}