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=energy_above_hull&page=947",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=945",
"results": [
{
"id": "jvasp-78551",
"created_at": "2022-09-04T14:37:10.022085Z",
"updated_at": "2022-09-04T14:37:10.022104Z",
"structure_string": "Sr1 Mg1\n1.0\n4.040964 0.000000 -0.000000\n-2.020483 3.499578 -0.000000\n-0.000000 -0.000000 5.541023\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.371841089955775,
"density_atomic": 0.025523450362299027,
"volume": 78.35931159817727,
"volume_molar": 23.594540215046205,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.367344705882353,
"spacegroup": 187
},
{
"id": "jvasp-71564",
"created_at": "2022-09-04T14:35:59.605288Z",
"updated_at": "2022-09-04T14:35:59.605304Z",
"structure_string": "Na2 Be1 Ge1\n1.0\n3.283024 0.000000 -0.000000\n0.000000 3.283024 0.000000\n0.000000 0.000000 8.216092\nNa Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.944282 Na\n0.499999 0.499999 0.304353 Na\n0.000000 0.000000 0.577471 Be\n0.499999 0.499999 0.673892 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 2.393284413948713,
"density_atomic": 0.04516963513852665,
"volume": 88.5550655375622,
"volume_molar": 13.332276741955617,
"formula_full": "Na2 Be1 Ge1",
"formula_reduced": "Na2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3673475125,
"spacegroup": 99
},
{
"id": "jvasp-71362",
"created_at": "2022-09-04T14:35:52.984351Z",
"updated_at": "2022-09-04T14:35:52.984368Z",
"structure_string": "Na2 Be1 Ge1\n1.0\n3.283610 0.000000 -0.000000\n0.000000 3.283610 0.000000\n-0.000000 -0.000000 8.218683\nNa Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.944182 Na\n0.500000 0.500000 0.304369 Na\n0.000000 0.000000 0.577727 Be\n0.500000 0.500000 0.673722 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 2.3916760377922115,
"density_atomic": 0.04513927946340034,
"volume": 88.61461785723152,
"volume_molar": 13.341242553246447,
"formula_full": "Na2 Be1 Ge1",
"formula_reduced": "Na2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3673750125,
"spacegroup": 99
},
{
"id": "jvasp-78706",
"created_at": "2022-09-04T14:37:18.201842Z",
"updated_at": "2022-09-04T14:37:18.201865Z",
"structure_string": "Ca1 Ge2\n1.0\n6.434562 0.214784 17.151425\n0.063589 0.870314 4.139241\n-4.347885 -2.164631 -8.125790\nCa Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.677888 0.788765 0.000002 Ge\n0.322113 0.211233 0.000001 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 4.339151965643749,
"density_atomic": 0.042292726386507704,
"volume": 70.93418316387059,
"volume_molar": 14.23918785694836,
"formula_full": "Ca1 Ge2",
"formula_reduced": "CaGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3673853166666666,
"spacegroup": 65
},
{
"id": "jvasp-41002",
"created_at": "2022-09-04T14:37:32.987944Z",
"updated_at": "2022-09-04T14:37:32.987968Z",
"structure_string": "Li1 Mg2 Rh1\n1.0\n-0.000000 3.177473 3.177473\n3.177473 -0.000000 3.177473\n3.177473 3.177473 -0.000000\nLi Mg Rh\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Rh"
],
"chemical_system": "Li-Mg-Rh",
"density": 4.100941310601863,
"density_atomic": 0.062342525120718584,
"volume": 64.16166159863585,
"volume_molar": 9.659763938561792,
"formula_full": "Li1 Mg2 Rh1",
"formula_reduced": "LiMg2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3674152749999999,
"spacegroup": 225
},
{
"id": "jvasp-78801",
"created_at": "2022-09-04T14:36:32.972047Z",
"updated_at": "2022-09-04T14:36:32.972067Z",
"structure_string": "Ce1 Mg3\n1.0\n3.146939 -0.000000 -0.000000\n-1.573469 2.725329 0.000000\n0.000000 -0.000000 11.116368\nCe Mg\n1 3\ndirect\n0.333333 0.666667 0.500000 Ce\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.763823 Mg\n0.000000 0.000000 0.236177 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 3.7104084974992135,
"density_atomic": 0.041955588166533865,
"volume": 95.3389089463564,
"volume_molar": 14.353608239494537,
"formula_full": "Ce1 Mg3",
"formula_reduced": "CeMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3675350714285715,
"spacegroup": 187
},
{
"id": "jvasp-30212",
"created_at": "2022-09-04T14:37:07.523307Z",
"updated_at": "2022-09-04T14:37:07.523330Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.386077 -0.071309 0.193912\n-2.312092 4.996869 -0.041569\n-1.012965 -2.004132 7.560327\nSb O F\n4 4 12\ndirect\n0.210796 0.527294 0.526372 Sb\n0.423307 0.407224 0.181948 Sb\n0.576694 0.592776 0.818052 Sb\n0.789206 0.472707 0.473628 Sb\n0.321972 0.468389 0.731525 O\n0.398217 0.627809 0.390017 O\n0.601784 0.372192 0.609983 O\n0.678029 0.531612 0.268475 O\n0.909553 0.847823 0.607640 F\n0.726367 0.096511 0.372472 F\n0.348716 0.046719 0.218777 F\n0.480564 0.266385 0.939880 F\n0.519437 0.733616 0.060119 F\n0.195235 0.311245 0.047305 F\n0.273634 0.903489 0.627528 F\n0.090449 0.152177 0.392360 F\n0.804766 0.688755 -0.047306 F\n-0.013272 0.438303 0.642431 F\n0.651285 -0.046719 0.781223 F\n0.013273 0.561698 0.357569 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.084066352907251,
"density_atomic": 0.06314310739396936,
"volume": 316.7408261239635,
"volume_molar": 9.537289196785967,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3676700894999998,
"spacegroup": 2
},
{
"id": "jvasp-29719",
"created_at": "2022-09-04T14:38:06.692738Z",
"updated_at": "2022-09-04T14:38:06.692756Z",
"structure_string": "Cu6 Se6\n1.0\n3.940304 0.000000 0.000000\n-1.970152 3.412403 -0.000000\n-0.000000 0.000000 17.662535\nCu Se\n6 6\ndirect\n0.666666 0.333333 0.540312 Cu\n0.333333 0.666666 0.040312 Cu\n0.666666 0.333333 0.959688 Cu\n0.666666 0.333333 0.250000 Cu\n0.333333 0.666666 0.750000 Cu\n0.333333 0.666666 0.459688 Cu\n0.000000 0.000000 0.409813 Se\n0.000000 0.000000 0.909813 Se\n0.000000 0.000000 0.090187 Se\n0.333333 0.666666 0.250000 Se\n0.666666 0.333333 0.750000 Se\n0.000000 0.000000 0.590187 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 5.978475003963588,
"density_atomic": 0.05052870477938084,
"volume": 237.4887710340998,
"volume_molar": 11.91825673405633,
"formula_full": "Cu6 Se6",
"formula_reduced": "CuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3676969083333333,
"spacegroup": 194
},
{
"id": "jvasp-92917",
"created_at": "2022-09-04T14:35:46.489325Z",
"updated_at": "2022-09-04T14:35:46.489353Z",
"structure_string": "Mg6 Ga1 W1\n1.0\n6.110049 0.004403 0.000000\n-3.051211 5.293658 0.000000\n0.000000 0.000000 4.813912\nMg Ga W\n6 1 1\ndirect\n0.171757 0.833450 0.250000 Mg\n0.666550 0.328243 0.250000 Mg\n0.668441 0.831559 0.250000 Mg\n0.326510 0.651098 0.750000 Mg\n0.848902 0.173490 0.750000 Mg\n0.833149 0.666851 0.750000 Mg\n0.311397 0.188603 0.750000 Ga\n0.173296 0.326704 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"W"
],
"chemical_system": "Ga-Mg-W",
"density": 4.25765509361285,
"density_atomic": 0.05135833285035694,
"volume": 155.76829612654376,
"volume_molar": 11.725732565242616,
"formula_full": "Mg6 Ga1 W1",
"formula_reduced": "Mg6GaW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3677383281249999,
"spacegroup": 38
},
{
"id": "jvasp-5737",
"created_at": "2022-09-04T14:38:01.547315Z",
"updated_at": "2022-09-04T14:38:01.547337Z",
"structure_string": "Ir2 Cl8 F12\n1.0\n0.000000 5.097296 0.133852\n10.825968 0.000000 0.000000\n0.000000 -0.431289 -7.324585\nIr Cl F\n2 8 12\ndirect\n-0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.237187 0.861434 0.037747 Cl\n0.762814 0.361434 0.462254 Cl\n0.762814 0.138567 0.962254 Cl\n0.237187 0.638567 0.537747 Cl\n0.531890 0.847935 0.879617 Cl\n0.468111 0.347935 0.620384 Cl\n0.468111 0.152065 0.120384 Cl\n0.531890 0.652065 0.379617 Cl\n0.314726 0.584890 0.961685 F\n0.685275 0.084890 0.538316 F\n0.894861 0.637782 0.138644 F\n0.105140 0.137782 0.361357 F\n0.105140 0.362218 0.861357 F\n0.157829 0.074914 0.717432 F\n0.157829 0.425086 0.217432 F\n0.842172 0.925086 0.282568 F\n0.842172 0.574914 0.782569 F\n0.685275 0.415110 0.038316 F\n0.894860 0.862218 0.638644 F\n0.314726 0.915110 0.461685 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ir",
"Cl",
"F"
],
"chemical_system": "Cl-F-Ir",
"density": 3.686874450797647,
"density_atomic": 0.054513629453645705,
"volume": 403.5687995918002,
"volume_molar": 11.04703689766387,
"formula_full": "Ir2 Cl8 F12",
"formula_reduced": "Ir(Cl2F3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.3678662786363637,
"spacegroup": 14
},
{
"id": "jvasp-116481",
"created_at": "2022-09-04T14:38:51.016990Z",
"updated_at": "2022-09-04T14:38:51.017011Z",
"structure_string": "Rb1 Hg3 N1 Cl8 O2\n1.0\n10.213231 0.017539 2.568568\n9.382160 4.035527 2.568568\n-0.433244 -0.089611 8.961030\nRb Hg N Cl O\n1 3 1 8 2\ndirect\n0.519719 0.519720 0.793517 Rb\n0.031245 0.031245 0.314972 Hg\n0.856530 0.856532 0.192170 Hg\n0.205300 0.205301 0.448228 Hg\n0.694843 0.694845 0.024360 N\n0.249815 0.249816 0.165670 Cl\n0.803991 0.803993 0.464673 Cl\n0.158918 0.158918 0.720181 Cl\n0.875570 0.875572 0.909652 Cl\n0.614713 0.614715 0.408804 Cl\n0.091552 0.091552 0.054193 Cl\n0.446462 0.446463 0.183539 Cl\n0.961909 0.961911 0.560692 Cl\n0.317881 0.317882 0.813079 O\n0.721842 0.721844 0.902673 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Rb",
"Hg",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-N-O-Rb",
"density": 4.532725446154264,
"density_atomic": 0.04026588917640671,
"volume": 372.52374917847493,
"volume_molar": 14.955936359971403,
"formula_full": "Rb1 Hg3 N1 Cl8 O2",
"formula_reduced": "RbHg3N(Cl4O)2",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 0.3679031059999999,
"spacegroup": 8
},
{
"id": "jvasp-47119",
"created_at": "2022-09-04T14:38:04.466558Z",
"updated_at": "2022-09-04T14:38:04.466590Z",
"structure_string": "Li5 V1 F8\n1.0\n5.063502 -0.025659 0.000000\n-1.832733 4.720253 0.000000\n0.000000 0.000000 5.882699\nLi V F\n5 1 8\ndirect\n0.000000 0.500000 0.226700 Li\n0.000000 0.500000 0.773300 Li\n0.500000 0.500000 0.000000 Li\n0.500000 -0.000000 0.226700 Li\n0.500000 -0.000000 0.773300 Li\n0.500000 0.500000 0.500000 V\n0.264010 0.735990 0.500000 F\n0.268396 0.731603 0.000000 F\n0.270209 0.270208 0.258543 F\n0.270209 0.270208 0.741457 F\n0.729791 0.729791 0.258543 F\n0.729791 0.729791 0.741457 F\n0.731604 0.268396 0.000000 F\n0.735990 0.264009 0.500000 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.8120278389352347,
"density_atomic": 0.09976781873987618,
"volume": 140.32581023448137,
"volume_molar": 6.036155582093538,
"formula_full": "Li5 V1 F8",
"formula_reduced": "Li5VF8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.3679261757142857,
"spacegroup": 65
}
]
}