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=932",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=930",
"results": [
{
"id": "jvasp-48312",
"created_at": "2022-09-04T14:38:07.865036Z",
"updated_at": "2022-09-04T14:38:07.865051Z",
"structure_string": "Li1 Mn2 F6\n1.0\n4.359874 0.030756 0.028479\n-0.055094 5.212425 0.011843\n-0.031554 -2.285252 4.685274\nLi Mn F\n1 2 6\ndirect\n0.006560 -0.000346 0.000278 Li\n0.505299 0.327280 0.676079 Mn\n0.505321 0.675535 0.327806 Mn\n0.261618 0.989564 0.329498 F\n0.749170 0.012962 0.673920 F\n0.261618 0.328995 -0.009835 F\n0.735889 0.361171 0.361669 F\n0.749192 0.673474 0.013490 F\n0.274350 0.642434 0.642973 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.595036225704465,
"density_atomic": 0.08442027230358334,
"volume": 106.60946422483859,
"volume_molar": 7.133524443446247,
"formula_full": "Li1 Mn2 F6",
"formula_reduced": "LiMn2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8006362419731801,
"spacegroup": 12
},
{
"id": "jvasp-7747",
"created_at": "2022-09-04T14:36:50.646377Z",
"updated_at": "2022-09-04T14:36:50.646404Z",
"structure_string": "Sr2 N1\n1.0\n3.699342 0.005576 6.216519\n1.714004 3.278315 6.216519\n0.009192 0.005576 7.233959\nSr N\n2 1\ndirect\n0.266767 0.266769 0.266768 Sr\n0.733229 0.733235 0.733232 Sr\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 3.5953227489216224,
"density_atomic": 0.034322722159675904,
"volume": 87.40565465767614,
"volume_molar": 17.54563851894918,
"formula_full": "Sr2 N1",
"formula_reduced": "Sr2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9509386233333328,
"spacegroup": 166
},
{
"id": "jvasp-24818",
"created_at": "2022-09-04T14:37:37.005292Z",
"updated_at": "2022-09-04T14:37:37.005324Z",
"structure_string": "Ca4 Fe2 N4\n1.0\n4.586752 0.000000 1.843389\n1.650054 5.107855 2.522420\n0.047605 0.065926 6.509661\nCa Fe N\n4 2 4\ndirect\n0.680802 0.245513 0.392883 Ca\n0.319197 0.754488 0.607117 Ca\n0.037939 0.697606 0.226515 Ca\n0.962060 0.302395 0.773485 Ca\n0.373058 0.125600 0.128284 Fe\n0.626941 0.874402 0.871715 Fe\n0.190561 0.239026 0.379853 N\n0.809438 0.760976 0.620147 N\n0.480599 0.237749 0.801054 N\n0.519400 0.762253 0.198946 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 3.595388708997376,
"density_atomic": 0.06600620707687654,
"volume": 151.5009033673626,
"volume_molar": 9.123597653454157,
"formula_full": "Ca4 Fe2 N4",
"formula_reduced": "Ca2FeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5579225679999995,
"spacegroup": 12
},
{
"id": "jvasp-78315",
"created_at": "2022-09-04T14:37:13.894545Z",
"updated_at": "2022-09-04T14:37:13.894567Z",
"structure_string": "Ca1 Zn1\n1.0\n3.652294 -0.000000 0.000000\n-0.000000 3.652294 0.000000\n-0.000000 -0.000000 3.652294\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.595430095545668,
"density_atomic": 0.04105185688397393,
"volume": 48.718868080746226,
"volume_molar": 14.66959406250624,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3486136363636364,
"spacegroup": 221
},
{
"id": "jvasp-85433",
"created_at": "2022-09-04T14:36:13.286627Z",
"updated_at": "2022-09-04T14:36:13.286642Z",
"structure_string": "Ca2 Fe2 Cl2 O4\n1.0\n4.882089 0.005126 -0.079328\n-2.416750 2.360003 -0.577545\n-0.200656 1.200620 12.773355\nCa Fe Cl O\n2 2 2 4\ndirect\n0.421017 0.743962 0.827665 Ca\n0.742622 0.425069 0.471188 Ca\n0.142329 0.248780 0.270603 Fe\n0.009186 0.811384 0.004097 Fe\n0.636014 0.250953 0.257877 Cl\n0.328780 0.075048 0.643512 Cl\n0.072450 0.149993 0.130707 O\n0.506953 0.153756 -0.000420 O\n-0.063472 -0.217090 0.858693 O\n0.217275 0.383038 0.420541 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Fe-O",
"density": 3.595436862553559,
"density_atomic": 0.06626550388270668,
"volume": 150.90808058594877,
"volume_molar": 9.087897031100068,
"formula_full": "Ca2 Fe2 Cl2 O4",
"formula_reduced": "CaFeClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.3079693975,
"spacegroup": 8
},
{
"id": "jvasp-93193",
"created_at": "2022-09-04T14:35:49.064158Z",
"updated_at": "2022-09-04T14:35:49.064182Z",
"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.421090 -0.130831 0.000000\n-3.323848 5.495411 0.000000\n0.000000 0.000000 4.932058\nHf Mg Ti\n1 6 1\ndirect\n0.307962 0.192038 0.750000 Hf\n0.180379 0.834066 0.250000 Mg\n0.665934 0.319621 0.250000 Mg\n0.672951 0.827048 0.250000 Mg\n0.317208 0.667084 0.750000 Mg\n0.832916 0.182792 0.750000 Mg\n0.829035 0.670965 0.750000 Mg\n0.193613 0.306387 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ti"
],
"chemical_system": "Hf-Mg-Ti",
"density": 3.5954940586869597,
"density_atomic": 0.04654127378041519,
"volume": 171.89043939245258,
"volume_molar": 12.939355266494978,
"formula_full": "Hf1 Mg6 Ti1",
"formula_reduced": "HfMg6Ti",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6291182041666666,
"spacegroup": 38
},
{
"id": "jvasp-22534",
"created_at": "2022-09-04T14:37:05.084409Z",
"updated_at": "2022-09-04T14:37:05.084441Z",
"structure_string": "As4 F12\n1.0\n5.082481 0.000000 0.000000\n0.000000 6.676853 0.000000\n0.000000 0.000000 7.181116\nAs F\n4 12\ndirect\n0.463331 0.206741 0.243271 As\n0.536669 0.793258 0.743271 As\n0.036669 0.706741 0.243271 As\n0.963331 0.293259 0.743271 As\n0.185366 0.322158 0.355560 F\n0.814634 0.677842 0.855560 F\n0.314634 0.822158 0.355560 F\n0.685366 0.177842 0.855560 F\n0.103060 0.055418 0.685992 F\n0.896940 0.944581 0.185992 F\n0.396940 0.555418 0.685992 F\n0.603060 0.444581 0.185992 F\n0.135589 0.310384 0.960378 F\n0.864411 0.689615 0.460378 F\n0.364411 0.810384 0.960378 F\n0.635589 0.189616 0.460378 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"F"
],
"chemical_system": "As-F",
"density": 3.595586221273786,
"density_atomic": 0.06565691336037317,
"volume": 243.69101715428346,
"volume_molar": 9.172135045316686,
"formula_full": "As4 F12",
"formula_reduced": "AsF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 33
},
{
"id": "jvasp-24657",
"created_at": "2022-09-04T14:37:10.312956Z",
"updated_at": "2022-09-04T14:37:10.312971Z",
"structure_string": "As4 F12\n1.0\n5.081115 0.000000 0.000000\n0.000000 6.675339 0.000000\n0.000000 0.000000 7.184124\nAs F\n4 12\ndirect\n0.463479 0.206693 0.756692 As\n0.536522 0.793307 0.256693 As\n0.036521 0.706693 0.756692 As\n0.963480 0.293307 0.256693 As\n0.185342 0.322078 0.644529 F\n0.814659 0.677922 0.144530 F\n0.314659 0.822078 0.644529 F\n0.685342 0.177922 0.144530 F\n0.103184 0.055379 0.313933 F\n0.896817 0.944621 0.813933 F\n0.396817 0.555379 0.313933 F\n0.603184 0.444621 0.813933 F\n0.135707 0.310356 0.039644 F\n0.864294 0.689644 0.539644 F\n0.364293 0.810356 0.039644 F\n0.635708 0.189644 0.539644 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"F"
],
"chemical_system": "As-F",
"density": 3.5958623479135103,
"density_atomic": 0.06566195554869662,
"volume": 243.67230409599944,
"volume_molar": 9.171430716122707,
"formula_full": "As4 F12",
"formula_reduced": "AsF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 33
},
{
"id": "jvasp-56203",
"created_at": "2022-09-04T14:37:29.349225Z",
"updated_at": "2022-09-04T14:37:29.349247Z",
"structure_string": "Ba1 Li2 Mg2 Ge2\n1.0\n4.456258 0.012031 7.984281\n2.086598 3.937573 7.984281\n0.019931 0.012031 9.143663\nBa Li Mg Ge\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.570368 0.570366 0.570367 Li\n0.429633 0.429632 0.429633 Li\n0.136093 0.136093 0.136093 Mg\n0.863908 0.863906 0.863907 Mg\n0.756968 0.756966 0.756967 Ge\n0.243033 0.243033 0.243033 Ge\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Mg",
"Ge"
],
"chemical_system": "Ba-Ge-Li-Mg",
"density": 3.595936331571272,
"density_atomic": 0.043925552760635846,
"volume": 159.360544377101,
"volume_molar": 13.709880426130411,
"formula_full": "Ba1 Li2 Mg2 Ge2",
"formula_reduced": "BaLi2(MgGe)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0999351385714285,
"spacegroup": 166
},
{
"id": "jvasp-104505",
"created_at": "2022-09-04T14:36:43.168782Z",
"updated_at": "2022-09-04T14:36:43.168802Z",
"structure_string": "K2 Li1 Nd1 F6\n1.0\n5.261335 -0.000000 3.037633\n1.753778 4.960434 3.037633\n-0.000000 -0.000000 6.075266\nK Li Nd F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.736913 0.263087 0.263087 F\n0.263087 0.263087 0.736913 F\n0.263087 0.736913 0.736913 F\n0.263087 0.736913 0.263087 F\n0.736913 0.263087 0.736913 F\n0.736913 0.736913 0.263087 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"F"
],
"chemical_system": "F-K-Li-Nd",
"density": 3.5960899113034652,
"density_atomic": 0.06306945402346091,
"volume": 158.55536019512942,
"volume_molar": 9.548426973475705,
"formula_full": "K2 Li1 Nd1 F6",
"formula_reduced": "K2LiNdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-8219",
"created_at": "2022-09-04T14:38:13.740646Z",
"updated_at": "2022-09-04T14:38:13.740663Z",
"structure_string": "Ca4 Sb2\n1.0\n4.559164 0.000000 -1.254265\n-0.345059 4.546088 -1.254265\n0.019739 0.021294 8.985002\nCa Sb\n4 2\ndirect\n0.669846 0.669846 0.339692 Ca\n0.994818 0.494818 0.989639 Ca\n0.319780 0.319780 0.639561 Ca\n0.494819 0.994818 0.989639 Ca\n0.858870 0.858871 0.717742 Sb\n0.130764 0.130763 0.261528 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.5961767087675622,
"density_atomic": 0.03217677006108858,
"volume": 186.4699281067931,
"volume_molar": 18.71580257610314,
"formula_full": "Ca4 Sb2",
"formula_reduced": "Ca2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-113187",
"created_at": "2022-09-04T14:38:47.205440Z",
"updated_at": "2022-09-04T14:38:47.205461Z",
"structure_string": "K2 Mn2 Se4 O16\n1.0\n5.573246 -0.010728 0.195343\n0.271434 7.767075 0.996730\n-0.015183 0.077099 8.114460\nK Mn Se O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500001 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.006137 0.207727 0.617040 Se\n0.506138 0.207726 0.117040 Se\n0.993863 0.792273 0.382959 Se\n0.493863 0.792273 0.882960 Se\n0.275313 0.193449 -0.006567 O\n0.775314 0.193448 0.493433 O\n0.493594 0.604405 0.814219 O\n0.993594 0.604405 0.314219 O\n0.506406 0.395594 0.185781 O\n0.006406 0.395594 0.685781 O\n0.502699 0.028559 0.262442 O\n0.233863 0.810410 0.000498 O\n0.497302 0.971440 0.737557 O\n0.997302 0.971440 0.237557 O\n0.224687 0.806551 0.506567 O\n0.733864 0.810409 0.500497 O\n0.766137 0.189590 -0.000498 O\n0.266137 0.189590 0.499502 O\n0.002699 0.028559 0.762443 O\n0.724687 0.806551 0.006567 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Mn",
"Se",
"O"
],
"chemical_system": "K-Mn-O-Se",
"density": 3.596241139060257,
"density_atomic": 0.0683994703181675,
"volume": 350.8799101566345,
"volume_molar": 8.804367536747527,
"formula_full": "K2 Mn2 Se4 O16",
"formula_reduced": "KMn(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.487081664559387,
"spacegroup": 2
}
]
}