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=641",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=639",
"results": [
{
"id": "jvasp-79793",
"created_at": "2022-09-04T14:36:47.540108Z",
"updated_at": "2022-09-04T14:36:47.540129Z",
"structure_string": "Zn2 Te2\n1.0\n4.319988 -0.160888 -0.000000\n-0.609441 4.279808 -0.000000\n-0.000000 -0.000000 5.498751\nZn Te\n2 2\ndirect\n0.639284 0.360716 0.750000 Zn\n0.360717 0.639284 0.250000 Zn\n0.228455 0.771546 0.750000 Te\n0.771546 0.228454 0.250000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.338625716018092,
"density_atomic": 0.03955473195551316,
"volume": 101.1257010791721,
"volume_molar": 15.224830158811459,
"formula_full": "Zn2 Te2",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.12033,
"spacegroup": 63
},
{
"id": "jvasp-119152",
"created_at": "2022-09-04T14:38:51.680417Z",
"updated_at": "2022-09-04T14:38:51.680433Z",
"structure_string": "Rb4 Ta2 F14\n1.0\n5.866817 -0.000000 0.000000\n0.000000 5.793084 0.000000\n-0.000000 -0.000000 10.546762\nRb Ta F\n4 2 14\ndirect\n-0.000000 0.500000 0.365096 Rb\n0.500000 0.000000 0.634904 Rb\n0.500000 0.500000 -0.006301 Rb\n0.000000 0.000000 0.006301 Rb\n-0.000000 0.500000 0.756796 Ta\n0.500000 0.000000 0.243204 Ta\n0.794182 0.500000 0.607975 F\n0.205819 0.500000 0.607975 F\n0.500000 0.000000 0.049915 F\n-0.000000 0.500000 0.950085 F\n0.781208 0.253608 0.798808 F\n0.281208 0.753607 0.201191 F\n0.781208 0.746392 0.798808 F\n0.218793 0.746392 0.798808 F\n0.294181 0.000000 0.392025 F\n0.718793 0.753607 0.201191 F\n0.281208 0.246392 0.201191 F\n0.218793 0.253608 0.798808 F\n0.718793 0.246392 0.201191 F\n0.705819 0.000000 0.392025 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"F"
],
"chemical_system": "F-Rb-Ta",
"density": 4.492364184809882,
"density_atomic": 0.05579541116609043,
"volume": 358.4524171793355,
"volume_molar": 10.793254560081001,
"formula_full": "Rb4 Ta2 F14",
"formula_reduced": "Rb2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1205831177500006,
"spacegroup": 59
},
{
"id": "jvasp-120355",
"created_at": "2022-09-04T14:38:48.313242Z",
"updated_at": "2022-09-04T14:38:48.313271Z",
"structure_string": "Na2 Se1\n1.0\n4.989955 0.000000 0.000000\n-2.494977 4.321427 0.000000\n-0.000000 0.000000 4.880693\nNa Se\n2 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.666666 0.333333 0.000000 Na\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 1.9712590216181414,
"density_atomic": 0.02850466580122472,
"volume": 105.24592783933299,
"volume_molar": 21.126859728842195,
"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1206266666666667,
"spacegroup": 191
},
{
"id": "jvasp-120195",
"created_at": "2022-09-04T14:38:53.236573Z",
"updated_at": "2022-09-04T14:38:53.236597Z",
"structure_string": "Ca1 Al1 F1\n1.0\n3.392686 -0.000000 -0.000000\n-0.000000 3.392686 -0.000000\n-0.000000 0.000000 7.120021\nCa Al F\n1 1 1\ndirect\n0.000000 0.000000 0.699004 Ca\n0.000000 0.000000 0.260323 Al\n0.000000 0.000000 0.007763 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.7436987036030522,
"density_atomic": 0.03660603130909164,
"volume": 81.9537079742077,
"volume_molar": 16.45122550748711,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1206455253333332,
"spacegroup": 99
},
{
"id": "jvasp-120358",
"created_at": "2022-09-04T14:38:48.327349Z",
"updated_at": "2022-09-04T14:38:48.327370Z",
"structure_string": "Na2 Se1\n1.0\n4.839598 0.000000 -1.209126\n0.000000 4.879754 0.000000\n-1.368477 0.000000 4.796338\nNa Se\n2 1\ndirect\n-0.200015 0.000000 -0.199965 Na\n0.133350 0.000000 0.466614 Na\n0.466665 0.000000 0.133351 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 1.9721907201061106,
"density_atomic": 0.02851813828441228,
"volume": 105.1962077636663,
"volume_molar": 21.11687901903344,
"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.12069,
"spacegroup": 191
},
{
"id": "jvasp-39439",
"created_at": "2022-09-04T14:37:57.711161Z",
"updated_at": "2022-09-04T14:37:57.711186Z",
"structure_string": "Na2 Mg6\n1.0\n3.328985 -5.765970 0.000000\n3.328985 5.765970 -0.000000\n0.000000 0.000000 5.286462\nNa Mg\n2 6\ndirect\n0.666666 0.333332 0.750000 Na\n0.333332 0.666666 0.250000 Na\n0.162798 0.837201 0.750000 Mg\n0.162798 0.325598 0.750000 Mg\n0.674401 0.837200 0.750000 Mg\n0.325598 0.162798 0.250000 Mg\n0.837200 0.674401 0.250000 Mg\n0.837201 0.162798 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.569422847892163,
"density_atomic": 0.039419459016221466,
"volume": 202.94545383557718,
"volume_molar": 15.277076119999096,
"formula_full": "Na2 Mg6",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1207245,
"spacegroup": 194
},
{
"id": "jvasp-25648",
"created_at": "2022-09-04T14:37:43.267262Z",
"updated_at": "2022-09-04T14:37:43.267279Z",
"structure_string": "Rb4 Fe4 F16\n1.0\n6.249353 -0.000000 0.000000\n-0.000000 7.348748 0.000000\n0.000000 0.000000 7.393282\nRb Fe F\n4 4 16\ndirect\n0.465405 0.270075 0.250000 Rb\n0.465405 0.229925 0.750000 Rb\n0.534595 0.770075 0.250000 Rb\n0.534595 0.729925 0.750000 Rb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.065966 0.515231 0.750000 F\n0.065966 0.984770 0.250000 F\n0.080996 0.250000 0.500000 F\n0.919003 0.750000 0.000000 F\n0.919003 0.750000 0.500000 F\n0.080996 0.250000 0.000000 F\n0.714828 0.049376 0.038425 F\n0.285172 0.950625 0.961574 F\n0.285172 0.549376 0.461575 F\n0.285172 0.950625 0.538425 F\n0.934034 0.484769 0.250000 F\n0.285172 0.549376 0.038425 F\n0.714828 0.450625 0.538425 F\n0.714828 0.049376 0.461575 F\n0.714828 0.450625 0.961574 F\n0.934034 0.015231 0.750000 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"F"
],
"chemical_system": "F-Fe-Rb",
"density": 4.25104740489081,
"density_atomic": 0.07068472263290371,
"volume": 339.5358870493468,
"volume_molar": 8.519720437010948,
"formula_full": "Rb4 Fe4 F16",
"formula_reduced": "RbFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.120864038611111,
"spacegroup": 57
},
{
"id": "jvasp-115135",
"created_at": "2022-09-04T14:38:43.287311Z",
"updated_at": "2022-09-04T14:38:43.287329Z",
"structure_string": "In1 I2\n1.0\n6.553053 0.000000 -0.000000\n-3.276526 5.675110 -0.000000\n-0.000000 -0.000000 3.158045\nIn I\n1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.000000 I\n0.666666 0.333334 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 5.211945793438753,
"density_atomic": 0.025543768894718943,
"volume": 117.44547221534862,
"volume_molar": 23.575772176849945,
"formula_full": "In1 I2",
"formula_reduced": "InI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1211916666666666,
"spacegroup": 191
},
{
"id": "jvasp-79162",
"created_at": "2022-09-04T14:37:51.134843Z",
"updated_at": "2022-09-04T14:37:51.134861Z",
"structure_string": "Na1 Mg3\n1.0\n6.675162 0.141042 0.000000\n-1.607717 2.784648 0.000000\n0.000000 0.000000 5.292591\nNa Mg\n1 3\ndirect\n0.158672 0.658672 0.250000 Na\n0.658961 0.658961 0.250000 Mg\n0.349408 0.349408 0.750000 Mg\n0.832960 0.332961 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.5992741912992772,
"density_atomic": 0.04016924025560912,
"volume": 99.57868196029551,
"volume_molar": 14.991920986504308,
"formula_full": "Na1 Mg3",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.121242,
"spacegroup": 25
},
{
"id": "jvasp-90160",
"created_at": "2022-09-04T14:36:15.948873Z",
"updated_at": "2022-09-04T14:36:15.948905Z",
"structure_string": "Na2 Tc1 F6\n1.0\n0.002273 -0.006322 -4.670717\n-2.727311 -4.726767 0.005372\n-2.730253 4.724946 -0.007791\nNa Tc F\n2 1 6\ndirect\n0.499409 0.333341 0.666650 Na\n0.500592 0.666658 0.333350 Na\n0.000000 0.000000 0.000000 Tc\n0.236560 0.703677 0.703312 F\n0.236572 0.296725 0.000379 F\n0.236556 0.999639 0.296357 F\n0.763441 0.296323 0.296688 F\n0.763429 0.703274 0.999621 F\n0.763444 0.000361 0.703643 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Tc",
"F"
],
"chemical_system": "F-Na-Tc",
"density": 3.5559393986399623,
"density_atomic": 0.07470998176449041,
"volume": 120.46583050134932,
"volume_molar": 8.060690978326967,
"formula_full": "Na2 Tc1 F6",
"formula_reduced": "Na2TcF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1216990216666665,
"spacegroup": 162
},
{
"id": "jvasp-71384",
"created_at": "2022-09-04T14:35:44.320123Z",
"updated_at": "2022-09-04T14:35:44.320154Z",
"structure_string": "Be1 Tl2 Ga1\n1.0\n3.257511 0.000000 -0.000000\n0.000000 3.257511 0.000000\n-0.000000 0.000000 8.549613\nBe Tl Ga\n1 2 1\ndirect\n0.000000 0.000000 0.570176 Be\n0.000000 0.000000 0.954929 Tl\n0.500000 0.500000 0.302940 Tl\n0.500000 0.500000 0.671954 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Ga"
],
"chemical_system": "Be-Ga-Tl",
"density": 8.922921380074822,
"density_atomic": 0.04409016790818109,
"volume": 90.72317457103141,
"volume_molar": 13.658693186520095,
"formula_full": "Be1 Tl2 Ga1",
"formula_reduced": "BeTl2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1218497812499999,
"spacegroup": 99
},
{
"id": "jvasp-50720",
"created_at": "2022-09-04T14:35:48.805271Z",
"updated_at": "2022-09-04T14:35:48.805291Z",
"structure_string": "Li6 Cu2 F8\n1.0\n2.843226 -0.001044 0.392161\n-1.422363 -2.484939 -0.197788\n-2.785888 0.015824 -21.579442\nLi Cu F\n6 2 8\ndirect\n0.000612 0.999392 -0.000007 Li\n0.999386 0.000648 0.500006 Li\n0.886606 0.333820 0.610615 Li\n0.446693 0.332725 0.889385 Li\n0.554478 0.666158 0.110606 Li\n0.112232 0.667375 0.389395 Li\n0.500009 0.000117 0.249998 Cu\n0.499993 -0.000077 0.750001 Cu\n0.676729 0.000669 0.338095 F\n0.777068 0.332769 0.055061 F\n0.556292 0.334015 0.444940 F\n0.677769 -0.000609 0.838093 F\n0.323314 -0.000428 0.161902 F\n0.442527 0.667237 0.555073 F\n0.322186 0.000440 0.661909 F\n0.224118 0.666053 0.944927 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.5557100049608104,
"density_atomic": 0.1068228349994266,
"volume": 149.78070934071243,
"volume_molar": 5.637503217390107,
"formula_full": "Li6 Cu2 F8",
"formula_reduced": "Li3CuF4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.1219312853124999,
"spacegroup": 194
}
]
}