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=-updated_at&page=3450",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=3448",
"results": [
{
"id": "jvasp-90501",
"created_at": "2022-09-04T14:36:20.628630Z",
"updated_at": "2022-09-04T14:36:20.628654Z",
"structure_string": "Ba2 Ni1 F6\n1.0\n3.995426 -0.000000 -0.962052\n-0.231651 3.988704 -0.962052\n-0.047901 -0.050764 8.578642\nBa Ni F\n2 1 6\ndirect\n0.850822 0.850820 0.701640 Ba\n0.149180 0.149180 0.298360 Ba\n0.500001 0.499999 0.000000 Ni\n0.620576 0.620575 0.241152 F\n0.379425 0.379425 0.758848 F\n0.000000 0.499999 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250001 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 5.44894899431399,
"density_atomic": 0.06601924272143744,
"volume": 136.32389026294547,
"volume_molar": 9.121796179047234,
"formula_full": "Ba2 Ni1 F6",
"formula_reduced": "Ba2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.222222221903713e-06,
"spacegroup": 139
},
{
"id": "jvasp-68745",
"created_at": "2022-09-04T14:36:20.628351Z",
"updated_at": "2022-09-04T14:36:20.628377Z",
"structure_string": "Be2 Nb1 Mo1\n1.0\n3.278304 -0.000000 0.000000\n0.000000 3.278304 0.000000\n0.000000 -0.000000 5.098181\nBe Nb Mo\n2 1 1\ndirect\n0.000000 0.000000 0.995209 Be\n0.499999 0.499999 0.262858 Be\n0.499999 0.499999 0.757079 Nb\n0.000000 0.000000 0.484852 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Mo"
],
"chemical_system": "Be-Mo-Nb",
"density": 6.269522661730011,
"density_atomic": 0.07300393907800833,
"volume": 54.791563996646836,
"volume_molar": 8.249062771208886,
"formula_full": "Be2 Nb1 Mo1",
"formula_reduced": "Be2NbMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.856681875,
"spacegroup": 99
},
{
"id": "jvasp-99531",
"created_at": "2022-09-04T14:36:20.628230Z",
"updated_at": "2022-09-04T14:36:20.628270Z",
"structure_string": "Ac1 Ga1 O3\n1.0\n3.968593 -0.000000 0.000000\n0.000000 3.968593 0.000000\n-0.000000 0.000000 3.968593\nAc Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ac",
"Ga",
"O"
],
"chemical_system": "Ac-Ga-O",
"density": 9.158142657628552,
"density_atomic": 0.0799945350089563,
"volume": 62.504269815934215,
"volume_molar": 7.5281902186515035,
"formula_full": "Ac1 Ga1 O3",
"formula_reduced": "AcGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.024920565,
"spacegroup": 221
},
{
"id": "jvasp-91732",
"created_at": "2022-09-04T14:36:20.624187Z",
"updated_at": "2022-09-04T14:36:20.624217Z",
"structure_string": "Eu2 Mn2 Bi4\n1.0\n4.456975 -0.000000 0.000000\n-0.000000 4.456975 0.000000\n-2.228488 -2.228488 10.672591\nEu Mn Bi\n2 2 4\ndirect\n0.878474 0.878474 0.756950 Eu\n0.121525 0.121525 0.243050 Eu\n0.249999 0.749999 0.500000 Mn\n0.749999 0.249999 0.500000 Mn\n0.499999 -0.000000 -0.000000 Bi\n-0.000000 0.499999 -0.000000 Bi\n0.664572 0.664572 0.329145 Bi\n0.335426 0.335426 0.670855 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Eu",
"Mn",
"Bi"
],
"chemical_system": "Bi-Eu-Mn",
"density": 9.78844111018987,
"density_atomic": 0.03773459771441844,
"volume": 212.00703027352503,
"volume_molar": 15.959202230209364,
"formula_full": "Eu2 Mn2 Bi4",
"formula_reduced": "EuMnBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8198589603448272,
"spacegroup": 139
},
{
"id": "jvasp-96761",
"created_at": "2022-09-04T14:36:20.617661Z",
"updated_at": "2022-09-04T14:36:20.617688Z",
"structure_string": "P4 Au4 Cl32\n1.0\n10.345849 -0.181486 -4.992841\n-6.734117 9.282698 -0.693665\n-0.121147 0.181486 11.486965\nP Au Cl\n4 4 32\ndirect\n-0.000000 0.250151 0.250151 P\n0.500000 0.749849 0.249849 P\n-0.000000 0.749849 0.749849 P\n0.500000 0.250151 0.750151 P\n0.085559 0.835559 0.250000 Au\n0.914441 0.164441 0.750000 Au\n0.424315 0.674315 0.750000 Au\n0.575685 0.325685 0.250000 Au\n0.309200 0.585939 0.078056 Cl\n0.690800 0.414061 0.921944 Cl\n0.992117 0.768856 0.578056 Cl\n0.710143 0.960143 0.750000 Cl\n0.289857 0.039857 0.250000 Cl\n0.119975 0.369975 0.750000 Cl\n0.880025 0.630025 0.250000 Cl\n0.914193 0.309410 0.895217 Cl\n0.914193 0.018977 0.604783 Cl\n0.085806 0.690590 0.104783 Cl\n0.085806 0.981024 0.395217 Cl\n0.618030 0.676389 0.941642 Cl\n0.234747 0.676389 0.558359 Cl\n0.765253 0.323611 0.441641 Cl\n0.381970 0.323612 0.058358 Cl\n0.424506 0.819907 0.895401 Cl\n0.424506 0.529105 0.604599 Cl\n0.575494 0.180093 0.104599 Cl\n0.575494 0.470895 0.395401 Cl\n0.007883 0.585940 0.776739 Cl\n0.192763 0.288283 0.260897 Cl\n0.807237 0.068134 0.095519 Cl\n0.472614 0.711718 0.404481 Cl\n0.472614 0.068134 0.760897 Cl\n0.807237 0.711718 0.739103 Cl\n0.192763 0.931867 0.904481 Cl\n0.527385 0.288283 0.595519 Cl\n0.690800 0.768856 0.276739 Cl\n0.992117 0.414061 0.223261 Cl\n0.007883 0.231144 0.421944 Cl\n0.309200 0.231144 0.723261 Cl\n0.527385 0.931866 0.239103 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"P",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-P",
"density": 3.114719358112111,
"density_atomic": 0.036666509512622944,
"volume": 1090.9137665866301,
"volume_molar": 16.424090648516177,
"formula_full": "P4 Au4 Cl32",
"formula_reduced": "PAuCl8",
"formula_anonymous": "ABC8",
"energy_above_hull": 0.454159561,
"spacegroup": 74
},
{
"id": "jvasp-71966",
"created_at": "2022-09-04T14:36:20.617614Z",
"updated_at": "2022-09-04T14:36:20.617639Z",
"structure_string": "Li1 Be1 Cd1\n1.0\n1.421857 -2.462728 0.000000\n1.421857 2.462728 -0.000000\n-0.000000 -0.000000 6.714227\nLi Be Cd\n1 1 1\ndirect\n0.333334 0.666668 0.687408 Li\n0.000000 0.000000 0.991616 Be\n0.666668 0.333334 0.320977 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Li",
"density": 4.533092391281135,
"density_atomic": 0.06380032196476876,
"volume": 47.021706280050324,
"volume_molar": 9.4390444664613,
"formula_full": "Li1 Be1 Cd1",
"formula_reduced": "LiBeCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2870052833333331,
"spacegroup": 156
},
{
"id": "jvasp-99996",
"created_at": "2022-09-04T14:36:20.614429Z",
"updated_at": "2022-09-04T14:36:20.614451Z",
"structure_string": "Eu1 Co2 Si1 Ge1\n1.0\n3.682979 -0.040354 -4.383720\n-0.519503 3.646378 -4.383720\n0.035401 0.040354 5.725389\nEu Co Si Ge\n1 2 1 1\ndirect\n0.998564 0.998564 0.000002 Eu\n0.754664 0.254664 0.500001 Co\n0.254664 0.754664 0.500001 Co\n0.365914 0.365914 0.000001 Si\n0.626198 0.626198 0.000001 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Eu",
"Co",
"Si",
"Ge"
],
"chemical_system": "Co-Eu-Ge-Si",
"density": 7.88017966760547,
"density_atomic": 0.06403291982325497,
"volume": 78.0848353284702,
"volume_molar": 9.404757391389369,
"formula_full": "Eu1 Co2 Si1 Ge1",
"formula_reduced": "EuCo2SiGe",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.42030127,
"spacegroup": 107
},
{
"id": "jvasp-65583",
"created_at": "2022-09-04T14:36:20.612654Z",
"updated_at": "2022-09-04T14:36:20.612679Z",
"structure_string": "Ba1 Ga2 Cl1\n1.0\n4.232949 0.000000 0.000000\n-0.000000 4.232949 0.000000\n-0.000000 0.000000 6.671060\nBa Ga Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cl"
],
"chemical_system": "Ba-Cl-Ga",
"density": 4.337477590232998,
"density_atomic": 0.03346409408666228,
"volume": 119.53110069679946,
"volume_molar": 17.99582783984651,
"formula_full": "Ba1 Ga2 Cl1",
"formula_reduced": "BaGa2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0011499999999999,
"spacegroup": 123
},
{
"id": "jvasp-96944",
"created_at": "2022-09-04T14:36:20.610070Z",
"updated_at": "2022-09-04T14:36:20.610096Z",
"structure_string": "Ba9 Mg3 Si6 O24\n1.0\n9.793012 0.000000 -0.000000\n-4.896506 8.480998 -0.000000\n-0.000000 -0.000000 7.334133\nBa Mg Si O\n9 3 6 24\ndirect\n0.666027 0.667725 0.177868 Ba\n0.332274 0.998303 0.177868 Ba\n0.998302 0.666028 0.822132 Ba\n0.667725 0.001697 0.822132 Ba\n0.666667 0.333333 0.492641 Ba\n0.333972 0.332275 0.822132 Ba\n0.001697 0.333972 0.177868 Ba\n0.333333 0.666667 0.507359 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.983903 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.016096 Mg\n0.671014 0.008571 0.258929 Si\n0.337557 0.328986 0.258929 Si\n0.991428 0.662443 0.258929 Si\n0.662442 0.671014 0.741071 Si\n0.328986 0.991429 0.741071 Si\n0.008571 0.337558 0.741071 Si\n0.047873 0.355535 0.524679 O\n0.491084 0.156786 0.801437 O\n0.508922 0.665681 0.848361 O\n0.508916 0.843214 0.198562 O\n0.307662 0.952127 0.524679 O\n0.843213 0.334298 0.801437 O\n0.843242 0.508923 0.151639 O\n0.334298 0.491084 0.198562 O\n0.174416 0.175356 0.175676 O\n0.355535 0.307662 0.475321 O\n0.665702 0.508916 0.801437 O\n0.825584 0.824644 0.824324 O\n0.175356 0.000940 0.824324 O\n0.999060 0.174416 0.824324 O\n0.952127 0.644465 0.475321 O\n0.334319 0.843242 0.848361 O\n0.665680 0.156758 0.151639 O\n0.491077 0.334320 0.151639 O\n0.644464 0.692338 0.524679 O\n0.156786 0.665702 0.198562 O\n0.824644 0.999060 0.175676 O\n0.156758 0.491078 0.848361 O\n0.692337 0.047873 0.475321 O\n0.000940 0.825584 0.175676 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si",
"density": 5.074189148168894,
"density_atomic": 0.06895047487167687,
"volume": 609.1328606244676,
"volume_molar": 8.734009114814299,
"formula_full": "Ba9 Mg3 Si6 O24",
"formula_reduced": "Ba3Mg(SiO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.8898994399999995,
"spacegroup": 147
},
{
"id": "jvasp-90051",
"created_at": "2022-09-04T14:36:20.609186Z",
"updated_at": "2022-09-04T14:36:20.609223Z",
"structure_string": "Mg3 Ga3 Au3\n1.0\n0.000000 0.000000 -3.482418\n-3.685185 -6.382928 0.000000\n-3.685442 6.383077 0.000000\nMg Ga Au\n3 3 3\ndirect\n0.000000 0.614861 0.000000 Mg\n0.000000 0.385124 0.385130 Mg\n0.000000 -0.000006 0.614870 Mg\n0.500000 0.279627 0.000000 Ga\n0.500000 0.720352 0.720362 Ga\n0.500000 -0.000010 0.279638 Ga\n0.000000 -0.000011 -0.000000 Au\n0.500000 0.333315 0.666666 Au\n0.500000 0.666649 0.333334 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Mg",
"density": 8.847995411337243,
"density_atomic": 0.05493285391452176,
"volume": 163.83638130297118,
"volume_molar": 10.962730553505832,
"formula_full": "Mg3 Ga3 Au3",
"formula_reduced": "MgGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-90625",
"created_at": "2022-09-04T14:36:20.606583Z",
"updated_at": "2022-09-04T14:36:20.606612Z",
"structure_string": "Pr2 Cu2 Sn4\n1.0\n-0.000000 -0.000000 -4.643823\n-4.435386 0.000000 0.000000\n2.217693 9.423593 0.000000\nPr Cu Sn\n2 2 4\ndirect\n0.750000 0.104823 0.209645 Pr\n0.250000 0.895179 0.790355 Pr\n0.750000 0.324411 0.648822 Cu\n0.250000 0.675590 0.351178 Cu\n0.750000 0.457348 0.914695 Sn\n0.250000 0.542653 0.085305 Sn\n0.750000 0.747734 0.495465 Sn\n0.250000 0.252268 0.504534 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Sn"
],
"chemical_system": "Cu-Pr-Sn",
"density": 7.56055360664898,
"density_atomic": 0.04121605174556145,
"volume": 194.0991351958286,
"volume_molar": 14.611153919294377,
"formula_full": "Pr2 Cu2 Sn4",
"formula_reduced": "PrCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4195486833333333,
"spacegroup": 63
},
{
"id": "jvasp-3141",
"created_at": "2022-09-04T14:36:20.605993Z",
"updated_at": "2022-09-04T14:36:20.606019Z",
"structure_string": "Yb1 Mg2 Sb2\n1.0\n2.324795 -4.026665 0.000000\n2.324795 4.026665 0.000000\n0.000000 0.000000 7.505258\nYb Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333334 0.666668 0.367891 Mg\n0.666668 0.333334 0.632109 Mg\n0.333334 0.666668 0.758703 Sb\n0.666668 0.333334 0.241298 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Yb",
"density": 5.4971173879608095,
"density_atomic": 0.03558313594598072,
"volume": 140.51600195077165,
"volume_molar": 16.92414285559963,
"formula_full": "Yb1 Mg2 Sb2",
"formula_reduced": "Yb(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
}
]
}