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=4337",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4335",
"results": [
{
"id": "jvasp-101594",
"created_at": "2022-09-04T14:36:42.853757Z",
"updated_at": "2022-09-04T14:36:42.853788Z",
"structure_string": "Nb1 Ga1 Os2\n1.0\n3.833941 0.000000 2.213527\n1.277980 3.614674 2.213527\n-0.000000 0.000000 4.427054\nNb Ga Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 0.500001 Ga\n0.750000 0.749999 0.750001 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Os"
],
"chemical_system": "Ga-Nb-Os",
"density": 14.699109589987096,
"density_atomic": 0.06519745020840498,
"volume": 61.35209256211583,
"volume_molar": 9.236773433240263,
"formula_full": "Nb1 Ga1 Os2",
"formula_reduced": "NbGaOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.18559793125,
"spacegroup": 225
},
{
"id": "jvasp-19780",
"created_at": "2022-09-04T14:38:31.950949Z",
"updated_at": "2022-09-04T14:38:31.950974Z",
"structure_string": "Si2 W1\n1.0\n3.040496 0.000000 -1.148863\n-0.434102 3.009347 -1.148863\n-0.010274 -0.011862 4.570618\nSi W\n2 1\ndirect\n0.335307 0.335306 0.670612 Si\n0.664696 0.664696 0.329391 Si\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 9.548827842166197,
"density_atomic": 0.07187718735191828,
"volume": 41.737860238070866,
"volume_molar": 8.378375645828996,
"formula_full": "Si2 W1",
"formula_reduced": "Si2W",
"formula_anonymous": "AB2",
"energy_above_hull": 4.186029066666666,
"spacegroup": 139
},
{
"id": "jvasp-64960",
"created_at": "2022-09-04T14:36:03.132950Z",
"updated_at": "2022-09-04T14:36:03.132968Z",
"structure_string": "Be1 Fe4 Re1\n1.0\n-0.000000 3.243160 3.243160\n3.243160 -0.000000 3.243160\n3.243160 3.243160 -0.000000\nBe Fe Re\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122379 0.625873 0.625873 Fe\n0.625873 0.625873 0.625873 Fe\n0.625873 0.122379 0.625873 Fe\n0.625873 0.625873 0.122379 Fe\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Re"
],
"chemical_system": "Be-Fe-Re",
"density": 10.188549324695078,
"density_atomic": 0.08794600777990101,
"volume": 68.223676679173,
"volume_molar": 6.847543068778486,
"formula_full": "Be1 Fe4 Re1",
"formula_reduced": "BeFe4Re",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.186391016666667,
"spacegroup": 216
},
{
"id": "jvasp-112314",
"created_at": "2022-09-04T14:38:26.195571Z",
"updated_at": "2022-09-04T14:38:26.195598Z",
"structure_string": "Ce4 Rh4 C8\n1.0\n3.881412 0.000000 0.000000\n-0.000000 3.881412 0.000000\n0.000000 0.000000 15.441396\nCe Rh C\n4 4 8\ndirect\n0.139502 0.864262 0.623757 Ce\n0.860498 0.135737 0.123757 Ce\n0.864262 0.860498 0.373757 Ce\n0.135737 0.139502 0.873757 Ce\n0.362169 0.648178 0.219280 Rh\n0.637831 0.351822 0.719280 Rh\n0.648178 0.637831 0.969280 Rh\n0.351822 0.362169 0.469280 Rh\n0.353089 0.348498 0.336103 C\n0.646910 0.651501 0.836103 C\n0.348498 0.646910 0.086102 C\n0.651501 0.353089 0.586103 C\n0.359353 0.141054 0.264861 C\n0.640646 0.858945 0.764861 C\n0.141054 0.640646 0.014861 C\n0.858946 0.359353 0.514861 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Rh",
"C"
],
"chemical_system": "C-Ce-Rh",
"density": 7.624723079590712,
"density_atomic": 0.06877869534398247,
"volume": 232.63017595753013,
"volume_molar": 8.755822903998839,
"formula_full": "Ce4 Rh4 C8",
"formula_reduced": "CeRhC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1865021250000005,
"spacegroup": 76
},
{
"id": "jvasp-67462",
"created_at": "2022-09-04T14:36:04.299576Z",
"updated_at": "2022-09-04T14:36:04.299593Z",
"structure_string": "Ta1 Be1 Tc1\n1.0\n-1.373199 1.373199 5.488791\n1.373199 -1.373199 5.488791\n1.373199 1.373199 -5.488791\nTa Be Tc\n1 1 1\ndirect\n0.347746 0.347746 0.000000 Ta\n0.008678 0.008678 0.000000 Be\n0.643576 0.643576 0.000000 Tc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Tc"
],
"chemical_system": "Be-Ta-Tc",
"density": 11.54988641726012,
"density_atomic": 0.07246321726808347,
"volume": 41.40031471279091,
"volume_molar": 8.310617423624194,
"formula_full": "Ta1 Be1 Tc1",
"formula_reduced": "TaBeTc",
"formula_anonymous": "ABC",
"energy_above_hull": 4.186695599999999,
"spacegroup": 107
},
{
"id": "jvasp-117896",
"created_at": "2022-09-04T14:38:54.192441Z",
"updated_at": "2022-09-04T14:38:54.192468Z",
"structure_string": "C2 Cl1\n1.0\n4.480023 0.000000 -0.193667\n0.000000 2.936503 0.000000\n-0.044872 0.000000 3.668440\nC Cl\n2 1\ndirect\n-0.451150 0.000000 0.228783 C\n-0.224385 0.000000 0.456681 C\n0.075536 0.000000 -0.285463 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"Cl"
],
"chemical_system": "C-Cl",
"density": 2.0474662803168537,
"density_atomic": 0.06219548316090321,
"volume": 48.235013983874545,
"volume_molar": 9.682601459048696,
"formula_full": "C2 Cl1",
"formula_reduced": "C2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 4.187898022499999,
"spacegroup": 6
},
{
"id": "jvasp-39826",
"created_at": "2022-09-04T14:37:38.020637Z",
"updated_at": "2022-09-04T14:37:38.020651Z",
"structure_string": "Yb4 B16 Os4\n1.0\n3.559729 0.000000 0.000000\n0.000000 5.945203 0.000000\n0.000000 -0.000000 11.504031\nYb B Os\n4 16 4\ndirect\n0.000000 0.129166 0.150023 Yb\n0.000000 0.870833 0.849977 Yb\n0.000000 0.629166 0.349977 Yb\n0.000000 0.370833 0.650023 Yb\n0.500000 0.113615 0.547489 B\n0.500000 0.886385 0.452511 B\n0.500000 0.613615 0.952511 B\n0.500000 0.386385 0.047489 B\n0.500000 0.135703 0.969834 B\n0.500000 0.864296 0.030166 B\n0.500000 0.635703 0.530166 B\n0.500000 0.364297 0.469834 B\n0.500000 0.213192 0.814799 B\n0.500000 0.786808 0.185201 B\n0.500000 0.713192 0.685201 B\n0.500000 0.286808 0.314799 B\n0.500000 0.025579 0.691958 B\n0.500000 0.974420 0.308042 B\n0.500000 0.525579 0.808042 B\n0.500000 0.474421 0.191958 B\n0.000000 0.136673 0.411216 Os\n0.000000 0.863327 0.588784 Os\n0.000000 0.636673 0.088784 Os\n0.000000 0.363327 0.911216 Os\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Yb",
"B",
"Os"
],
"chemical_system": "B-Os-Yb",
"density": 11.090494925611418,
"density_atomic": 0.09857744859440765,
"volume": 243.4633919036279,
"volume_molar": 6.109045066461215,
"formula_full": "Yb4 B16 Os4",
"formula_reduced": "YbB4Os",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.187971005555557,
"spacegroup": 55
},
{
"id": "jvasp-28570",
"created_at": "2022-09-04T14:36:21.289035Z",
"updated_at": "2022-09-04T14:36:21.289063Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.353219 0.000000 -0.000000\n-1.676610 2.904019 0.001291\n0.000000 -0.002903 20.673307\nTe W Se S\n2 3 2 2\ndirect\n0.666480 0.332957 0.574765 Te\n0.666267 0.332532 0.759570 Te\n0.333378 0.666756 0.032938 W\n0.333040 0.666080 0.667200 W\n0.666894 0.333787 0.340807 W\n0.666813 0.333625 -0.047971 Se\n0.666611 0.333222 0.113881 Se\n0.333490 0.666981 0.414534 S\n0.333631 0.667261 0.267116 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 8.485863388185914,
"density_atomic": 0.0447065499871707,
"volume": 201.31278308397097,
"volume_molar": 13.470376850211334,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.188034696296296,
"spacegroup": 156
},
{
"id": "jvasp-106260",
"created_at": "2022-09-04T14:38:40.371271Z",
"updated_at": "2022-09-04T14:38:40.371298Z",
"structure_string": "Li1 Np1 Ru2\n1.0\n3.854171 0.000000 2.225207\n1.284723 3.633747 2.225207\n-0.000000 -0.000000 4.450413\nLi Np Ru\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Ru\n0.749999 0.750001 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Np",
"Ru"
],
"chemical_system": "Li-Np-Ru",
"density": 11.884388544172882,
"density_atomic": 0.06417620179677991,
"volume": 62.32840037287316,
"volume_molar": 9.383760009776967,
"formula_full": "Li1 Np1 Ru2",
"formula_reduced": "LiNpRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1882927500000005,
"spacegroup": 225
},
{
"id": "jvasp-105534",
"created_at": "2022-09-04T14:36:51.679260Z",
"updated_at": "2022-09-04T14:36:51.679284Z",
"structure_string": "Ce1 B2 Ir2 Rh1\n1.0\n5.477139 0.006862 0.000000\n-2.731071 4.747668 0.000000\n0.000000 -0.000000 3.177711\nCe B Ir Rh\n1 2 2 1\ndirect\n0.500000 0.500000 -0.000000 Ce\n0.166976 0.833025 -0.000000 B\n0.833024 0.166975 -0.000000 B\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"B",
"Ir",
"Rh"
],
"chemical_system": "B-Ce-Ir-Rh",
"density": 13.034196706886714,
"density_atomic": 0.0725587628191019,
"volume": 82.69159736031818,
"volume_molar": 8.299673982884675,
"formula_full": "Ce1 B2 Ir2 Rh1",
"formula_reduced": "CeB2Ir2Rh",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.189050977777778,
"spacegroup": 65
},
{
"id": "jvasp-109384",
"created_at": "2022-09-04T14:37:56.488756Z",
"updated_at": "2022-09-04T14:37:56.488776Z",
"structure_string": "Mn5 Al2 V1\n1.0\n3.884271 -0.003316 -1.164191\n-1.764422 3.460402 1.164191\n-0.008356 0.005124 7.031472\nMn Al V\n5 2 1\ndirect\n0.749081 0.250917 0.247203 Mn\n0.250890 0.749108 0.752745 Mn\n0.000918 0.999081 0.002797 Mn\n0.499108 0.500889 0.497255 Mn\n0.375000 0.624999 0.125000 Mn\n0.124858 0.875140 0.374488 Al\n0.625140 0.374857 0.875512 Al\n0.874999 0.124998 0.625000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Al",
"V"
],
"chemical_system": "Al-Mn-V",
"density": 6.675578439471549,
"density_atomic": 0.0847246017022759,
"volume": 94.42357755911529,
"volume_molar": 7.107900939047119,
"formula_full": "Mn5 Al2 V1",
"formula_reduced": "Mn5Al2V",
"formula_anonymous": "AB2C5",
"energy_above_hull": 4.189189500862069,
"spacegroup": 166
},
{
"id": "jvasp-103942",
"created_at": "2022-09-04T14:36:52.633671Z",
"updated_at": "2022-09-04T14:36:52.633690Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n5.223604 -0.027812 -0.473199\n-0.852255 6.163752 -0.015809\n0.142907 0.131275 8.399145\nMg H C O\n2 12 10 8\ndirect\n0.215720 0.250278 0.744693 Mg\n0.808943 0.802595 0.770821 Mg\n0.957303 0.745790 0.197960 H\n0.461739 0.239748 0.237600 H\n0.175739 -0.028560 0.272810 H\n0.685094 0.469502 0.297398 H\n0.994649 0.216011 0.413226 H\n0.447449 0.722756 0.422124 H\n0.762845 0.995112 0.362175 H\n0.317082 0.593275 0.078680 H\n0.797413 0.105909 0.077366 H\n0.541145 0.808190 0.154967 H\n0.015845 0.340039 0.129844 H\n0.246942 0.497065 0.345916 H\n0.668366 0.298313 0.261810 C\n0.338076 0.766959 0.108953 C\n0.809534 0.277952 0.110089 C\n0.159483 0.799698 0.239942 C\n0.244104 0.665716 0.383399 C\n0.103084 0.647474 0.535344 C\n0.317064 0.875332 0.947936 C\n0.695145 0.392556 0.967876 C\n0.675451 0.165923 0.557160 C\n0.784869 0.167847 0.395624 C\n0.834323 0.136635 0.678340 O\n0.438767 0.175830 0.568616 O\n0.897722 0.733442 0.547693 O\n0.844967 0.530744 0.893773 O\n0.501535 0.873568 0.861469 O\n0.454324 0.344111 0.931925 O\n0.117148 0.963852 0.897725 O\n0.204005 0.543270 0.648279 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 1.8942376568150345,
"density_atomic": 0.11820818129068482,
"volume": 270.708843081758,
"volume_molar": 5.094521118797183,
"formula_full": "Mg2 H12 C10 O8",
"formula_reduced": "MgH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.189678315625,
"spacegroup": 1
}
]
}