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=nelements&page=1223",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1221",
"results": [
{
"id": "jvasp-51175",
"created_at": "2022-09-04T14:37:04.103794Z",
"updated_at": "2022-09-04T14:37:04.103824Z",
"structure_string": "Ca1 Zr1 Pd1\n1.0\n0.000000 3.277512 3.277512\n3.277512 -0.000000 3.277512\n3.277512 3.277512 0.000000\nCa Zr Pd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"Pd"
],
"chemical_system": "Ca-Pd-Zr",
"density": 5.606032431134168,
"density_atomic": 0.042604785947975114,
"volume": 70.41462439603177,
"volume_molar": 14.134892655847777,
"formula_full": "Ca1 Zr1 Pd1",
"formula_reduced": "CaZrPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8620968733333332,
"spacegroup": 216
},
{
"id": "jvasp-51133",
"created_at": "2022-09-04T14:37:04.730202Z",
"updated_at": "2022-09-04T14:37:04.730233Z",
"structure_string": "Li1 Tc2 Pd1\n1.0\n0.000000 3.040197 3.040197\n3.040197 0.000000 3.040197\n3.040197 3.040197 -0.000000\nLi Tc Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Tc\n0.750001 0.750001 0.750001 Tc\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tc",
"Pd"
],
"chemical_system": "Li-Pd-Tc",
"density": 9.140700648666318,
"density_atomic": 0.07117456430553923,
"volume": 56.19985227909145,
"volume_molar": 8.461085527897389,
"formula_full": "Li1 Tc2 Pd1",
"formula_reduced": "LiTc2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4538546750000005,
"spacegroup": 225
},
{
"id": "jvasp-13017",
"created_at": "2022-09-04T14:37:03.774211Z",
"updated_at": "2022-09-04T14:37:03.774221Z",
"structure_string": "Ga2 Cu2 Cl8\n1.0\n5.302701 0.000000 -0.000000\n0.000000 5.302701 -0.000000\n0.000000 0.000000 10.343601\nGa Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263549 0.750961 0.627571 Cl\n0.750961 0.736451 0.372429 Cl\n0.249038 0.263549 0.372429 Cl\n0.736451 0.750961 0.872429 Cl\n0.263549 0.249038 0.872429 Cl\n0.736451 0.249038 0.627571 Cl\n0.750961 0.263549 0.127571 Cl\n0.249038 0.736451 0.127571 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Ga",
"density": 3.141041316704662,
"density_atomic": 0.041258668425754104,
"volume": 290.84797105350765,
"volume_molar": 14.596061845371905,
"formula_full": "Ga2 Cu2 Cl8",
"formula_reduced": "GaCuCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 112
},
{
"id": "jvasp-15388",
"created_at": "2022-09-04T14:37:03.796006Z",
"updated_at": "2022-09-04T14:37:03.796024Z",
"structure_string": "Tb1 Si2 Ni2\n1.0\n3.729464 -0.000000 -1.429177\n-0.547679 3.689031 -1.429177\n-0.015404 -0.017859 5.540443\nTb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627480 0.627480 0.254961 Si\n0.372520 0.372519 0.745037 Si\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Tb",
"density": 7.261085925291861,
"density_atomic": 0.06575864299841006,
"volume": 76.03563230647707,
"volume_molar": 9.157945610504166,
"formula_full": "Tb1 Si2 Ni2",
"formula_reduced": "Tb(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.91645608,
"spacegroup": 139
},
{
"id": "jvasp-14273",
"created_at": "2022-09-04T14:37:03.796827Z",
"updated_at": "2022-09-04T14:37:03.796854Z",
"structure_string": "Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 0.000000\n-0.000000 4.449802 0.000000\n-0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Ti",
"density": 11.454913779621236,
"density_atomic": 0.049145690825231306,
"volume": 81.39065567771829,
"volume_molar": 12.253649625997818,
"formula_full": "Ti1 Cd1 Hg2",
"formula_reduced": "TiCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-8444",
"created_at": "2022-09-04T14:37:03.797513Z",
"updated_at": "2022-09-04T14:37:03.797539Z",
"structure_string": "Sr2 Mn2 Sn2\n1.0\n4.694699 0.000000 0.000000\n0.000000 4.694699 -0.000000\n0.000000 0.000000 7.466068\nSr Mn Sn\n2 2 2\ndirect\n0.000000 0.500000 0.324102 Sr\n0.500000 0.000000 0.675898 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.798468 Sn\n0.500000 0.000000 0.201532 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Sr",
"density": 5.273002073020484,
"density_atomic": 0.036462278487759486,
"volume": 164.5536222321987,
"volume_molar": 16.516084594169435,
"formula_full": "Sr2 Mn2 Sn2",
"formula_reduced": "SrMnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1384017504597703,
"spacegroup": 129
},
{
"id": "jvasp-48571",
"created_at": "2022-09-04T14:37:03.802292Z",
"updated_at": "2022-09-04T14:37:03.802310Z",
"structure_string": "V4 O6 F4\n1.0\n4.714419 0.346381 -0.085430\n-0.295152 5.318037 0.115856\n-2.196674 -1.851403 5.936113\nV O F\n4 6 4\ndirect\n0.901334 0.298598 0.803628 V\n0.593818 0.232682 0.195581 V\n0.406183 0.767319 0.804419 V\n0.098667 0.701403 0.196372 V\n0.864403 0.369867 0.097293 O\n0.720150 0.866705 0.086583 O\n0.449811 0.519552 0.281179 O\n0.550191 0.480449 0.718821 O\n0.279851 0.133296 0.913417 O\n0.135598 0.630134 0.902707 O\n0.901189 0.241716 0.497728 F\n0.670594 0.967398 0.704498 F\n0.329408 0.032603 0.295502 F\n0.098813 0.758285 0.502272 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.178876719560674,
"density_atomic": 0.09376322976995742,
"volume": 149.31226275319418,
"volume_molar": 6.422710453527432,
"formula_full": "V4 O6 F4",
"formula_reduced": "V2O3F2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.165647066428572,
"spacegroup": 2
},
{
"id": "jvasp-107220",
"created_at": "2022-09-04T14:37:03.804994Z",
"updated_at": "2022-09-04T14:37:03.805022Z",
"structure_string": "Sr1 Sb1 O3\n1.0\n4.201705 -0.000000 0.000000\n0.000000 4.201705 0.000000\n-0.000000 0.000000 4.201705\nSr Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sb\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr",
"density": 5.761614330640056,
"density_atomic": 0.06740518916508512,
"volume": 74.17826523347145,
"volume_molar": 8.934239091371586,
"formula_full": "Sr1 Sb1 O3",
"formula_reduced": "SrSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.331362582,
"spacegroup": 221
},
{
"id": "jvasp-18866",
"created_at": "2022-09-04T14:37:03.834909Z",
"updated_at": "2022-09-04T14:37:03.834936Z",
"structure_string": "Zr1 Sb1 Ru1\n1.0\n3.887779 -0.000000 2.244610\n1.295927 3.665433 2.244610\n0.000000 0.000000 4.489221\nZr Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zr",
"density": 8.151838851709579,
"density_atomic": 0.04689466241614197,
"volume": 63.973165503956096,
"volume_molar": 12.841846917586663,
"formula_full": "Zr1 Sb1 Ru1",
"formula_reduced": "ZrSbRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8994303666666665,
"spacegroup": 216
},
{
"id": "jvasp-54890",
"created_at": "2022-09-04T14:37:03.839583Z",
"updated_at": "2022-09-04T14:37:03.839603Z",
"structure_string": "Rb2 W6 Cl18\n1.0\n4.653542 -8.060172 0.000000\n4.653544 8.060171 0.000000\n0.000000 0.000000 8.330429\nRb W Cl\n2 6 18\ndirect\n0.333333 0.666667 0.429093 Rb\n0.666667 0.333333 0.570907 Rb\n0.022623 0.827696 0.874102 W\n0.827695 0.805072 0.125898 W\n0.194927 0.022623 0.125898 W\n0.805072 0.977376 0.874102 W\n0.977376 0.172304 0.125898 W\n0.172304 0.194927 0.874102 W\n0.374984 0.421005 0.693633 Cl\n0.625016 0.578995 0.306367 Cl\n0.744458 0.172908 0.001126 Cl\n0.808524 0.783632 0.678518 Cl\n0.172908 0.428450 0.998875 Cl\n0.046021 0.625016 0.693633 Cl\n0.827091 0.571550 0.001126 Cl\n0.024893 0.808524 0.321482 Cl\n0.191475 0.216368 0.321482 Cl\n0.578995 0.953979 0.693633 Cl\n0.783631 0.975106 0.321482 Cl\n0.953979 0.374984 0.306367 Cl\n0.975106 0.191475 0.678518 Cl\n0.255541 0.827092 0.998875 Cl\n0.571550 0.744458 0.998875 Cl\n0.421005 0.046021 0.306367 Cl\n0.216368 0.024894 0.678518 Cl\n0.428450 0.255542 0.001126 Cl\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"Cl"
],
"chemical_system": "Cl-Rb-W",
"density": 5.080904653485428,
"density_atomic": 0.041605234214880556,
"volume": 624.9213708476329,
"volume_molar": 14.474478689140794,
"formula_full": "Rb2 W6 Cl18",
"formula_reduced": "Rb(WCl3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.154628200576924,
"spacegroup": 147
},
{
"id": "jvasp-2868",
"created_at": "2022-09-04T14:37:03.842549Z",
"updated_at": "2022-09-04T14:37:03.842566Z",
"structure_string": "Rb2 Na2 S2\n1.0\n4.676524 0.000000 0.000000\n0.000000 4.676524 0.000000\n0.000000 0.000000 7.562735\nRb Na S\n2 2 2\ndirect\n0.000000 0.500000 0.351720 Rb\n0.500000 0.000000 0.648279 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.207056 S\n0.000000 0.500000 0.792944 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Na",
"S"
],
"chemical_system": "Na-Rb-S",
"density": 2.821629303616326,
"density_atomic": 0.03627655457451607,
"volume": 165.3960821355108,
"volume_molar": 16.600641462876126,
"formula_full": "Rb2 Na2 S2",
"formula_reduced": "RbNaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-50071",
"created_at": "2022-09-04T14:37:03.872282Z",
"updated_at": "2022-09-04T14:37:03.872306Z",
"structure_string": "Li8 Zr1 O6\n1.0\n2.735951 1.579602 5.161552\n-2.735951 1.579602 5.161552\n-0.000000 -3.159204 5.161552\nLi Zr O\n8 1 6\ndirect\n0.103995 0.766616 0.495159 Li\n0.504841 0.896005 0.233384 Li\n0.233384 0.504841 0.896004 Li\n0.344803 0.344803 0.344803 Li\n0.655197 0.655197 0.655196 Li\n0.766615 0.495159 0.103995 Li\n0.495159 0.103995 0.766615 Li\n0.896005 0.233384 0.504841 Li\n0.000000 0.000000 0.000000 Zr\n0.236348 0.907541 0.610642 O\n0.389357 0.763652 0.092459 O\n0.092459 0.389358 0.763651 O\n0.907541 0.610642 0.236348 O\n0.610642 0.236348 0.907540 O\n0.763652 0.092459 0.389357 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Zr",
"O"
],
"chemical_system": "Li-O-Zr",
"density": 3.0117431148520972,
"density_atomic": 0.1120737004458195,
"volume": 133.84049906741095,
"volume_molar": 5.373375498483983,
"formula_full": "Li8 Zr1 O6",
"formula_reduced": "Li8ZrO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.8533103666666664,
"spacegroup": 148
}
]
}