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=density&page=3424",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=3422",
"results": [
{
"id": "jvasp-116081",
"created_at": "2022-09-04T14:38:41.070777Z",
"updated_at": "2022-09-04T14:38:41.070807Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n4.816167 -0.000000 -0.000000\n-2.408083 4.170923 -0.000000\n-0.000000 -0.000000 3.050375\nTl Zn F\n1 1 1\ndirect\n0.333335 0.666666 0.000000 Tl\n0.666668 0.333333 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"F"
],
"chemical_system": "F-Tl-Zn",
"density": 7.8260994576234815,
"density_atomic": 0.04895919989420422,
"volume": 61.27551117017211,
"volume_molar": 12.300325113590958,
"formula_full": "Tl1 Zn1 F1",
"formula_reduced": "TlZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0403133333333333,
"spacegroup": 187
},
{
"id": "jvasp-4663",
"created_at": "2022-09-04T14:38:39.305720Z",
"updated_at": "2022-09-04T14:38:39.305736Z",
"structure_string": "Tl1 Ag1 Te2\n1.0\n3.477056 -0.000000 -0.867234\n-0.216302 3.470321 -0.867234\n0.566743 0.603166 9.676282\nTl Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750001 0.250000 0.500000 Ag\n0.365464 0.365464 0.730928 Te\n0.634537 0.634536 0.269073 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 7.826437371923715,
"density_atomic": 0.033223567137869496,
"volume": 120.39646385353507,
"volume_molar": 18.126111308306005,
"formula_full": "Tl1 Ag1 Te2",
"formula_reduced": "TlAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2757696322222221,
"spacegroup": 119
},
{
"id": "jvasp-15838",
"created_at": "2022-09-04T14:38:32.899283Z",
"updated_at": "2022-09-04T14:38:32.899305Z",
"structure_string": "Tl1 Ag1 Te2\n1.0\n3.477056 -0.000000 -0.867234\n-0.216302 3.470321 -0.867234\n0.566743 0.603166 9.676282\nTl Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750001 0.250000 0.500000 Ag\n0.365464 0.365464 0.730928 Te\n0.634537 0.634536 0.269073 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 7.826437371923715,
"density_atomic": 0.033223567137869496,
"volume": 120.39646385353507,
"volume_molar": 18.126111308306005,
"formula_full": "Tl1 Ag1 Te2",
"formula_reduced": "TlAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2757696322222221,
"spacegroup": 119
},
{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Pb"
],
"chemical_system": "Pb-Pr-Zn",
"density": 7.826812310032864,
"density_atomic": 0.046206551598608314,
"volume": 346.2712417708726,
"volume_molar": 13.033088494276166,
"formula_full": "Pr4 Zn10 Pb2",
"formula_reduced": "Pr2Zn5Pb",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-54567",
"created_at": "2022-09-04T14:38:34.424934Z",
"updated_at": "2022-09-04T14:38:34.424950Z",
"structure_string": "Y4 Ge10 Ru6\n1.0\n5.462472 -0.000000 1.978594\n2.105500 7.743620 2.716822\n0.020833 -0.016233 8.472143\nY Ge Ru\n4 10 6\ndirect\n0.860429 0.370904 0.908237 Y\n0.639570 0.091762 0.629096 Y\n0.139570 0.629096 0.091762 Y\n0.360429 0.908238 0.370903 Y\n0.542234 0.707765 0.707765 Ge\n0.912917 0.762855 0.411308 Ge\n0.042234 0.707765 0.707765 Ge\n0.587081 0.588692 0.237145 Ge\n0.250000 -0.000000 -0.000000 Ge\n0.750000 -0.000000 -0.000000 Ge\n0.087081 0.237146 0.588691 Ge\n0.412917 0.411309 0.762854 Ge\n0.457765 0.292235 0.292235 Ge\n0.957764 0.292235 0.292234 Ge\n0.749999 0.500000 0.499999 Ru\n0.647405 0.760321 0.944865 Ru\n0.852593 0.055135 0.239679 Ru\n0.147406 0.944866 0.760321 Ru\n0.352594 0.239679 0.055134 Ru\n0.250000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Y",
"density": 7.826830558641618,
"density_atomic": 0.05583163207614522,
"volume": 358.2198702829118,
"volume_molar": 10.786252409363183,
"formula_full": "Y4 Ge10 Ru6",
"formula_reduced": "Y2Ge5Ru3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.733428215,
"spacegroup": 72
},
{
"id": "jvasp-5680",
"created_at": "2022-09-04T14:36:46.952386Z",
"updated_at": "2022-09-04T14:36:46.952411Z",
"structure_string": "Hg4 Te2 O6\n1.0\n3.596550 0.000000 0.000000\n0.000000 5.896406 0.000000\n0.000000 0.000000 11.540511\nHg Te O\n4 2 6\ndirect\n0.048815 0.814208 0.940170 Hg\n0.048815 0.185792 0.059830 Hg\n0.048815 0.185792 0.440170 Hg\n0.048815 0.814208 0.559830 Hg\n0.463009 0.557161 0.250000 Te\n0.463009 0.442839 0.750000 Te\n0.094133 0.534409 0.373903 O\n0.094133 0.465592 0.626097 O\n0.094133 0.465592 0.873903 O\n0.094133 0.534409 0.126097 O\n0.557995 0.243626 0.250000 O\n0.557995 0.756375 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"Te",
"O"
],
"chemical_system": "Hg-O-Te",
"density": 7.826893229299706,
"density_atomic": 0.049032351871089286,
"volume": 244.73637388533066,
"volume_molar": 12.28197410524541,
"formula_full": "Hg4 Te2 O6",
"formula_reduced": "Hg2TeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7862145777777778,
"spacegroup": 28
},
{
"id": "jvasp-116571",
"created_at": "2022-09-04T14:38:43.073276Z",
"updated_at": "2022-09-04T14:38:43.073301Z",
"structure_string": "Ti6 Ga16 Rh7\n1.0\n7.451477 -0.000000 4.302112\n2.483826 7.025320 4.302112\n-0.000000 -0.000000 8.604224\nTi Ga Rh\n6 16 7\ndirect\n0.699085 0.300915 0.300915 Ti\n0.699085 0.300915 0.699084 Ti\n0.699085 0.699085 0.300914 Ti\n0.300916 0.699085 0.699084 Ti\n0.300916 0.699085 0.300915 Ti\n0.300916 0.300915 0.699084 Ti\n0.646798 0.646798 0.646797 Ga\n0.646798 0.646798 0.059607 Ga\n0.646798 0.059607 0.646797 Ga\n0.059608 0.646798 0.646797 Ga\n0.353203 0.353202 0.353202 Ga\n0.353203 0.353202 0.940392 Ga\n0.353203 0.940393 0.353202 Ga\n0.940393 0.353202 0.353202 Ga\n0.876660 0.876659 0.370022 Ga\n0.876660 0.370023 0.876658 Ga\n0.370024 0.876659 0.876658 Ga\n0.123341 0.123341 0.123341 Ga\n0.123341 0.123341 0.629976 Ga\n0.123341 0.629977 0.123341 Ga\n0.629977 0.123341 0.123341 Ga\n0.876660 0.876659 0.876658 Ga\n0.000000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500001 0.500000 -0.000001 Rh\n0.000000 0.500000 0.499999 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Ti",
"density": 7.82710395920627,
"density_atomic": 0.06438397906897815,
"volume": 450.4226116396236,
"volume_molar": 9.353477133726301,
"formula_full": "Ti6 Ga16 Rh7",
"formula_reduced": "Ti6Ga16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.5860061448275864,
"spacegroup": 225
},
{
"id": "jvasp-102536",
"created_at": "2022-09-04T14:36:59.189512Z",
"updated_at": "2022-09-04T14:36:59.189529Z",
"structure_string": "Nd1 Ho1 Zn2\n1.0\n4.409577 -0.000000 2.545871\n1.469859 4.157389 2.545871\n-0.000000 -0.000000 5.091741\nNd Ho Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750000 0.749999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ho",
"Zn"
],
"chemical_system": "Ho-Nd-Zn",
"density": 7.827234074883341,
"density_atomic": 0.0428524930973075,
"volume": 93.34346057572382,
"volume_molar": 14.053186465312988,
"formula_full": "Nd1 Ho1 Zn2",
"formula_reduced": "NdHoZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105388",
"created_at": "2022-09-04T14:37:00.201001Z",
"updated_at": "2022-09-04T14:37:00.201021Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n6.886229 -0.000000 0.000000\n-3.443115 5.963649 0.000000\n-0.000000 -0.000000 4.179709\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.336455 0.244601 0.500000 Tb\n0.908145 0.663545 0.500000 Tb\n0.755399 0.091854 0.500000 Tb\n0.344691 0.898324 -0.000000 Mn\n0.553633 0.655309 -0.000000 Mn\n0.101676 0.446367 -0.000000 Mn\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 -0.000000 Si\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Mn",
"Ga",
"Si"
],
"chemical_system": "Ga-Mn-Si-Tb",
"density": 7.8275050487641185,
"density_atomic": 0.0524327851843476,
"volume": 171.6483297302831,
"volume_molar": 11.485448920607308,
"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.497188908237548,
"spacegroup": 174
},
{
"id": "jvasp-57291",
"created_at": "2022-09-04T14:38:16.625661Z",
"updated_at": "2022-09-04T14:38:16.625693Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.827721083824955,
"density_atomic": 0.0736363551647444,
"volume": 162.96298171131312,
"volume_molar": 8.178216787790278,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4561310625,
"spacegroup": 2
},
{
"id": "jvasp-54474",
"created_at": "2022-09-04T14:37:46.157111Z",
"updated_at": "2022-09-04T14:37:46.157122Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053386 0.011524 0.005820\n-2.375638 5.625630 -0.022274\n-0.185695 -2.294140 5.734487\nCu Bi W O\n1 1 2 8\ndirect\n0.861250 0.901091 0.788304 Cu\n0.361617 0.901345 0.288719 Bi\n0.116876 0.422746 0.620739 W\n0.606262 0.379907 0.956672 W\n0.329941 0.211284 0.626137 O\n0.823776 0.198553 0.810930 O\n0.361689 0.648599 0.512166 O\n0.857401 0.628456 0.217826 O\n0.865908 0.174283 0.359497 O\n0.393119 0.591327 0.951339 O\n0.899271 0.604044 0.766357 O\n0.361684 0.154164 0.065420 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.827895006419124,
"density_atomic": 0.07363799127642726,
"volume": 162.9593609493446,
"volume_molar": 8.178035081638338,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.456130229166667,
"spacegroup": 2
},
{
"id": "jvasp-36811",
"created_at": "2022-09-04T14:38:29.498347Z",
"updated_at": "2022-09-04T14:38:29.498373Z",
"structure_string": "Tl2 Cu2 O4\n1.0\n1.761610 -3.051199 -0.000000\n1.761610 3.051199 -0.000000\n0.000000 -0.000000 11.836726\nTl Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.096241 O\n0.666667 0.333333 0.596241 O\n0.333333 0.666667 0.403759 O\n0.666667 0.333333 0.903759 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tl",
"density": 7.828063842299373,
"density_atomic": 0.06287067114136279,
"volume": 127.2453411863895,
"volume_molar": 9.578616945983287,
"formula_full": "Tl2 Cu2 O4",
"formula_reduced": "TlCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7676425124999999,
"spacegroup": 194
}
]
}