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=4389",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4387",
"results": [
{
"id": "jvasp-39498",
"created_at": "2022-09-04T14:37:27.499438Z",
"updated_at": "2022-09-04T14:37:27.499460Z",
"structure_string": "Ba1 Sr1 Sn1\n1.0\n4.813792 0.000000 2.779244\n1.604597 4.538486 2.779244\n-0.000000 -0.000000 5.558486\nBa Sr Sn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.499999 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Sn"
],
"chemical_system": "Ba-Sn-Sr",
"density": 4.699151587347618,
"density_atomic": 0.024703951022121744,
"volume": 121.43806459596597,
"volume_molar": 24.377237287295983,
"formula_full": "Ba1 Sr1 Sn1",
"formula_reduced": "BaSrSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-35856",
"created_at": "2022-09-04T14:37:33.921004Z",
"updated_at": "2022-09-04T14:37:33.921031Z",
"structure_string": "Dy2 Zn2 In2\n1.0\n2.332402 -4.039839 0.000000\n2.332402 4.039839 -0.000000\n0.000000 0.000000 7.166510\nDy Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.250000 In\n0.333333 0.666667 0.750000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Zn",
"In"
],
"chemical_system": "Dy-In-Zn",
"density": 8.427955679006518,
"density_atomic": 0.04442690721964558,
"volume": 135.05329034803484,
"volume_molar": 13.55516540961692,
"formula_full": "Dy2 Zn2 In2",
"formula_reduced": "DyZnIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-85269",
"created_at": "2022-09-04T14:37:12.513871Z",
"updated_at": "2022-09-04T14:37:12.513892Z",
"structure_string": "Rb4 Cu2 Br4 Cl4\n1.0\n6.493311 -0.000000 -2.893462\n-0.000000 7.109268 0.000000\n0.105199 -0.000000 8.968732\nRb Cu Br Cl\n4 2 4 4\ndirect\n0.134592 0.500000 0.269183 Rb\n0.634592 0.000000 0.269183 Rb\n0.865408 0.500000 0.730817 Rb\n0.365408 0.000000 0.730817 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.156996 0.000000 0.313991 Br\n0.843004 0.000000 0.686009 Br\n0.656996 0.500000 0.313991 Br\n0.343004 0.500000 0.686009 Br\n0.772790 0.227199 0.000000 Cl\n0.227210 0.772801 0.000000 Cl\n0.272790 0.272801 0.000000 Cl\n0.727210 0.727200 0.000000 Cl\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cu-Rb",
"density": 3.712175628308957,
"density_atomic": 0.03363890569272459,
"volume": 416.1847631989977,
"volume_molar": 17.902308758225942,
"formula_full": "Rb4 Cu2 Br4 Cl4",
"formula_reduced": "Rb2Cu(BrCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-57587",
"created_at": "2022-09-04T14:37:28.207384Z",
"updated_at": "2022-09-04T14:37:28.207410Z",
"structure_string": "Na6 Fe2 F12\n1.0\n0.000000 5.418220 -0.005819\n5.679893 0.000000 0.000000\n0.000000 -0.046124 -7.805712\nNa Fe F\n6 2 12\ndirect\n0.769529 0.076062 0.497264 Na\n0.230472 0.576062 0.502736 Na\n0.730504 0.948347 0.002707 Na\n0.269496 0.448347 0.997292 Na\n0.749991 0.512212 0.250009 Na\n0.250009 0.012212 0.749991 Na\n0.250019 0.012195 0.249994 Fe\n0.749981 0.512195 0.750006 Fe\n0.366476 0.962876 0.474562 F\n0.633524 0.462876 0.525438 F\n0.915409 0.788355 0.681872 F\n0.084591 0.288355 0.318128 F\n0.866446 0.561503 0.974573 F\n0.584564 0.236051 0.818153 F\n0.032246 0.335567 0.696609 F\n0.967755 0.835567 0.303391 F\n0.467721 0.688828 0.803392 F\n0.415437 0.736051 0.181847 F\n0.133555 0.061503 0.025427 F\n0.532280 0.188828 0.196608 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Fe",
"F"
],
"chemical_system": "F-Fe-Na",
"density": 3.301489674795951,
"density_atomic": 0.0832564572427764,
"volume": 240.22160757669357,
"volume_molar": 7.233241672101656,
"formula_full": "Na6 Fe2 F12",
"formula_reduced": "Na3FeF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-41124",
"created_at": "2022-09-04T14:37:34.600686Z",
"updated_at": "2022-09-04T14:37:34.600709Z",
"structure_string": "Na1 Ac1 Hg2\n1.0\n-0.000000 3.866656 3.866656\n3.866656 0.000000 3.866656\n3.866656 3.866656 -0.000000\nNa Ac Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.250001 0.250001 0.250001 Ac\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg-Na",
"density": 9.352047900074524,
"density_atomic": 0.034595800680517715,
"volume": 115.62096905745445,
"volume_molar": 17.407143761789882,
"formula_full": "Na1 Ac1 Hg2",
"formula_reduced": "NaAcHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-35278",
"created_at": "2022-09-04T14:37:30.732840Z",
"updated_at": "2022-09-04T14:37:30.732850Z",
"structure_string": "Tm1 In1 Cu4\n1.0\n-3.600377 -3.600377 -0.000000\n-3.600377 -0.000000 -3.600377\n0.000000 -3.600377 -3.600377\nTm In Cu\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 In\n0.374975 0.374975 0.374975 Cu\n0.875077 0.374975 0.374975 Cu\n0.374975 0.875077 0.374975 Cu\n0.374975 0.374975 0.875077 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"In",
"Cu"
],
"chemical_system": "Cu-In-Tm",
"density": 9.569867937761753,
"density_atomic": 0.06428021470693888,
"volume": 93.34131859009356,
"volume_molar": 9.36857598789247,
"formula_full": "Tm1 In1 Cu4",
"formula_reduced": "TmInCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-52161",
"created_at": "2022-09-04T14:37:27.511314Z",
"updated_at": "2022-09-04T14:37:27.511341Z",
"structure_string": "Tl8 Cu2 Te6\n1.0\n8.771332 0.022500 0.031850\n-4.358138 7.612058 -0.031850\n-4.358138 -2.573570 7.163880\nTl Cu Te\n8 2 6\ndirect\n0.205650 0.193362 0.693362 Tl\n0.500000 0.987711 0.193362 Tl\n0.500000 0.693362 0.487710 Tl\n0.205651 0.512290 0.012290 Tl\n0.794349 0.487710 0.987710 Tl\n0.500000 0.306638 0.512290 Tl\n0.500000 0.012290 0.806638 Tl\n0.794349 0.806638 0.306638 Tl\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.750000 0.750000 Te\n0.177450 0.838725 0.338725 Te\n0.500000 0.661276 0.838725 Te\n0.500000 0.338725 0.161275 Te\n0.822549 0.161275 0.661275 Te\n-0.000000 0.250000 0.250000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-Tl",
"density": 8.749817762905204,
"density_atomic": 0.03335295601717183,
"volume": 479.7175995963408,
"volume_molar": 18.05579318636552,
"formula_full": "Tl8 Cu2 Te6",
"formula_reduced": "Tl4CuTe3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-16394",
"created_at": "2022-09-04T14:37:27.591509Z",
"updated_at": "2022-09-04T14:37:27.591530Z",
"structure_string": "Yb3 Ag3 Sn3\n1.0\n2.392585 -4.144078 0.000000\n2.392585 4.144078 -0.000000\n0.000000 -0.000000 10.747726\nYb Ag Sn\n3 3 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.332311 Yb\n0.000000 0.000000 0.667689 Yb\n0.666666 0.333332 0.194860 Ag\n0.666666 0.333332 0.805140 Ag\n0.333332 0.666666 0.500000 Ag\n0.333332 0.666666 0.147031 Sn\n0.666666 0.333332 0.500000 Sn\n0.333332 0.666666 0.852969 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sn-Yb",
"density": 9.340577601836852,
"density_atomic": 0.04222801147500563,
"volume": 213.12867183734232,
"volume_molar": 14.261009575514704,
"formula_full": "Yb3 Ag3 Sn3",
"formula_reduced": "YbAgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-9537",
"created_at": "2022-09-04T14:37:27.578449Z",
"updated_at": "2022-09-04T14:37:27.578475Z",
"structure_string": "Zn2 Ni2 F8\n1.0\n4.948115 0.021815 -0.342049\n0.015187 5.452522 0.447832\n-2.771523 -2.235031 5.109939\nZn Ni F\n2 2 8\ndirect\n0.766635 0.813930 0.519515 Zn\n0.233973 0.189310 0.479601 Zn\n0.000365 0.501701 -0.000419 Ni\n0.500327 0.001697 -0.000440 Ni\n0.097604 0.175065 0.768765 F\n0.439353 0.522350 0.253814 F\n0.902987 0.828233 0.230278 F\n0.893871 0.291745 0.184947 F\n0.561373 0.480851 0.745251 F\n0.506160 -0.054400 0.683265 F\n0.106875 0.711561 0.814152 F\n0.494374 0.057553 0.315784 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"F"
],
"chemical_system": "F-Ni-Zn",
"density": 4.8283717169534714,
"density_atomic": 0.0871895458313054,
"volume": 137.63117912344256,
"volume_molar": 6.906952780384538,
"formula_full": "Zn2 Ni2 F8",
"formula_reduced": "ZnNiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-54897",
"created_at": "2022-09-04T14:37:27.617709Z",
"updated_at": "2022-09-04T14:37:27.617738Z",
"structure_string": "Zn3 Te3\n1.0\n2.179218 -3.774520 0.000000\n2.179221 3.774518 -0.000000\n0.000000 0.000000 10.674706\nZn Te\n3 3\ndirect\n0.333477 0.000029 0.693338 Zn\n0.666552 0.666523 0.360005 Zn\n-0.000029 0.333448 0.026672 Zn\n0.333271 -0.000106 0.443329 Te\n0.000106 0.333376 0.776662 Te\n0.666623 0.666729 0.109995 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.475192617328379,
"density_atomic": 0.03416667682963889,
"volume": 175.60970386195484,
"volume_molar": 17.625772591310128,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-30637",
"created_at": "2022-09-04T14:37:27.654710Z",
"updated_at": "2022-09-04T14:37:27.654729Z",
"structure_string": "Y1 Sn1 F5\n1.0\n4.054647 -0.000000 1.491060\n1.642757 5.623023 1.791287\n0.049163 0.103610 6.124752\nY Sn F\n1 1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500001 0.806078 0.193922 F\n0.500000 0.193922 0.806078 F\n0.743028 0.256972 0.256972 F\n0.256972 0.743027 0.743028 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Sn",
"F"
],
"chemical_system": "F-Sn-Y",
"density": 3.622098456362653,
"density_atomic": 0.05045787782275578,
"volume": 138.72957607509804,
"volume_molar": 11.934986209990981,
"formula_full": "Y1 Sn1 F5",
"formula_reduced": "YSnF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-57785",
"created_at": "2022-09-04T14:37:27.828116Z",
"updated_at": "2022-09-04T14:37:27.828142Z",
"structure_string": "Rb2 Al2 F8\n1.0\n5.137003 0.000000 0.000000\n0.000000 5.137003 -0.000000\n0.000000 -0.000000 6.320860\nRb Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.282180 F\n0.000000 0.000000 0.717820 F\n0.500000 0.500000 0.717820 F\n0.000000 0.000000 0.282180 F\n0.200058 0.700058 0.000000 F\n0.299942 0.200058 0.000000 F\n0.700058 0.799941 0.000000 F\n0.799941 0.299942 0.000000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Al",
"F"
],
"chemical_system": "Al-F-Rb",
"density": 3.7520030322000024,
"density_atomic": 0.07194248518757897,
"volume": 166.79990924294378,
"volume_molar": 8.370771101801937,
"formula_full": "Rb2 Al2 F8",
"formula_reduced": "RbAlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 127
}
]
}