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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=855",
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"results": [
{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
"nsites": 24,
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],
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"formula_full": "Tm8 Br16",
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"spacegroup": 61
},
{
"id": "jvasp-56888",
"created_at": "2022-09-04T14:36:42.911528Z",
"updated_at": "2022-09-04T14:36:42.911548Z",
"structure_string": "Nd10 Si6\n1.0\n7.040133 -0.000000 -3.450237\n-1.690897 6.834057 -3.450237\n-0.026969 -0.034456 8.852704\nNd Si\n10 6\ndirect\n0.675930 0.175930 0.706222 Nd\n0.175930 0.030292 0.706223 Nd\n0.030293 0.530293 0.706223 Nd\n0.469707 0.324069 0.293776 Nd\n0.324069 0.824070 0.293776 Nd\n0.530292 0.675930 0.706222 Nd\n0.824069 0.969707 0.293776 Nd\n0.000000 0.000000 0.000000 Nd\n0.969706 0.469707 0.293776 Nd\n0.500000 0.500000 -0.000000 Nd\n0.116239 0.383761 -0.000000 Si\n0.616239 0.116239 -0.000000 Si\n0.383760 0.883761 -0.000000 Si\n0.883760 0.616239 -0.000001 Si\n0.250000 0.250000 0.499999 Si\n0.749999 0.750000 0.499999 Si\n",
"nsites": 16,
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"elements": [
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"density": 6.305235018073527,
"density_atomic": 0.037713313034711586,
"volume": 424.25336605334815,
"volume_molar": 15.968209301731674,
"formula_full": "Nd10 Si6",
"formula_reduced": "Nd5Si3",
"formula_anonymous": "A3B5",
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"spacegroup": 140
},
{
"id": "jvasp-32134",
"created_at": "2022-09-04T14:38:13.234083Z",
"updated_at": "2022-09-04T14:38:13.234099Z",
"structure_string": "Sn2 Cl2\n1.0\n1.736838 -3.008289 -0.000000\n1.736838 3.008289 0.000000\n0.000000 -0.000000 10.149696\nSn Cl\n2 2\ndirect\n0.000000 0.000000 0.313493 Sn\n0.333335 0.666667 0.813493 Sn\n0.000000 0.000000 0.061508 Cl\n0.333335 0.666667 0.561507 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn",
"density": 4.827222841406537,
"density_atomic": 0.03771360889562783,
"volume": 106.0625094530193,
"volume_molar": 15.968084032122823,
"formula_full": "Sn2 Cl2",
"formula_reduced": "SnCl",
"formula_anonymous": "AB",
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"spacegroup": 186
},
{
"id": "jvasp-38351",
"created_at": "2022-09-04T14:37:17.932366Z",
"updated_at": "2022-09-04T14:37:17.932386Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.160603 2.160603 5.679910\n2.160603 -2.160603 5.679910\n2.160603 2.160603 -5.679910\nHg Sb\n3 1\ndirect\n0.749998 0.250000 0.499998 Hg\n0.250000 0.749998 0.499998 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Sb"
],
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"density": 11.32802621829695,
"density_atomic": 0.03771452099740425,
"volume": 106.05994439847997,
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"formula_full": "Hg3 Sb1",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-12964",
"created_at": "2022-09-04T14:37:16.574776Z",
"updated_at": "2022-09-04T14:37:16.574798Z",
"structure_string": "Cd4 As6 Br2\n1.0\n6.299552 -0.018091 -0.846262\n-0.944463 6.228377 -0.846262\n-0.011316 -0.013124 8.116444\nCd As Br\n4 6 2\ndirect\n0.907334 0.607848 0.697577 Cd\n0.392152 0.092667 0.802422 Cd\n0.607847 0.907334 0.197578 Cd\n0.092666 0.392153 0.302423 Cd\n0.919218 0.821745 0.023535 As\n0.178255 0.080782 0.476465 As\n0.080782 0.178256 0.976465 As\n0.789680 0.210320 0.750000 As\n0.210319 0.789681 0.250000 As\n0.821745 0.919219 0.523535 As\n0.365034 0.634966 0.750000 Br\n0.634965 0.365035 0.250000 Br\n",
"nsites": 12,
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"elements": [
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"As",
"Br"
],
"chemical_system": "As-Br-Cd",
"density": 5.5267235952480815,
"density_atomic": 0.03771477137321253,
"volume": 318.17772090547993,
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"formula_full": "Cd4 As6 Br2",
"formula_reduced": "Cd2As3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5218081425,
"spacegroup": 15
},
{
"id": "jvasp-107135",
"created_at": "2022-09-04T14:36:53.525852Z",
"updated_at": "2022-09-04T14:36:53.525875Z",
"structure_string": "Na2 Li1 Gd1 Cl6\n1.0\n6.244938 -0.000000 3.605517\n2.081646 5.887784 3.605517\n-0.000000 -0.000000 7.211033\nNa Li Gd Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.742337 0.257663 0.257663 Cl\n0.257664 0.257663 0.742337 Cl\n0.257664 0.742336 0.742337 Cl\n0.257664 0.742336 0.257663 Cl\n0.742337 0.257663 0.742337 Cl\n0.742338 0.742336 0.257664 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-Li-Na",
"density": 2.648485070033957,
"density_atomic": 0.03771572989971641,
"volume": 265.14136214755297,
"volume_molar": 15.967186041506997,
"formula_full": "Na2 Li1 Gd1 Cl6",
"formula_reduced": "Na2LiGdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.5639175904999998,
"spacegroup": 225
},
{
"id": "jvasp-13425",
"created_at": "2022-09-04T14:36:41.226738Z",
"updated_at": "2022-09-04T14:36:41.226772Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.290076 -0.121868 2.234658\n1.709531 8.112812 2.234658\n-0.116956 -0.093463 8.593405\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.706418 0.706418 0.706590 S\n0.293582 0.293582 0.293411 S\n0.968146 0.968146 0.293170 Cl\n0.653538 0.653539 0.953485 Cl\n0.346462 0.346461 0.046516 Cl\n0.046511 0.346277 0.346148 Cl\n0.653723 0.953488 0.653853 Cl\n0.953489 0.653723 0.653853 Cl\n0.346277 0.046511 0.346148 Cl\n0.685543 0.685543 0.358880 Cl\n0.314457 0.314457 0.641121 Cl\n0.358394 0.685233 0.685404 Cl\n0.641605 0.314767 0.314597 Cl\n0.685233 0.358395 0.685404 Cl\n0.968359 0.293347 0.968397 Cl\n0.706653 0.031641 0.031604 Cl\n0.031641 0.706653 0.031604 Cl\n0.293347 0.968359 0.968397 Cl\n0.031854 0.031854 0.706831 Cl\n0.314767 0.641605 0.314597 Cl\n",
"nsites": 22,
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"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.692638259482217,
"density_atomic": 0.03771815573197773,
"volume": 583.2734812468108,
"volume_molar": 15.966159116561432,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
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"spacegroup": 166
},
{
"id": "jvasp-18115",
"created_at": "2022-09-04T14:38:13.010414Z",
"updated_at": "2022-09-04T14:38:13.010438Z",
"structure_string": "Tm4 In2\n1.0\n2.641347 -4.574948 0.000000\n2.641347 4.574948 0.000000\n-0.000000 0.000000 6.581581\nTm In\n4 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.666668 0.333333 0.250000 Tm\n0.333333 0.666668 0.750000 Tm\n0.333333 0.666668 0.250000 In\n0.666668 0.333333 0.750000 In\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.45158647043342,
"density_atomic": 0.03772067040354218,
"volume": 159.06398099002416,
"volume_molar": 15.965094722798165,
"formula_full": "Tm4 In2",
"formula_reduced": "Tm2In",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-94390",
"created_at": "2022-09-04T14:36:21.086933Z",
"updated_at": "2022-09-04T14:36:21.086953Z",
"structure_string": "Y2 Mg4\n1.0\n3.359978 0.000000 -0.000000\n-1.679988 2.909826 -0.000000\n-0.000000 0.000000 16.269155\nY Mg\n2 4\ndirect\n0.666667 0.333333 0.172580 Y\n0.666667 0.333333 0.827419 Y\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.343592 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.656407 Mg\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.8711997006705614,
"density_atomic": 0.03772096544540133,
"volume": 159.06273684019604,
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"formula_full": "Y2 Mg4",
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"spacegroup": 187
},
{
"id": "jvasp-100246",
"created_at": "2022-09-04T14:36:50.260912Z",
"updated_at": "2022-09-04T14:36:50.260930Z",
"structure_string": "Yb1 Sm1 Cd2\n1.0\n4.600959 -0.000000 2.656364\n1.533653 4.337825 2.656364\n0.000000 0.000000 5.312730\nYb Sm Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500001 0.499999 Sm\n0.749999 0.750001 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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],
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"volume": 106.03228867594872,
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"formula_full": "Yb1 Sm1 Cd2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-114801",
"created_at": "2022-09-04T14:38:42.806040Z",
"updated_at": "2022-09-04T14:38:42.806067Z",
"structure_string": "Tl1 Pd1 Cl1\n1.0\n3.237625 -0.000000 0.000000\n-0.000000 3.237625 -0.000000\n0.000000 -0.000000 7.586530\nTl Pd Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.001676 Tl\n0.000000 0.000000 0.653392 Pd\n0.000000 0.000000 0.343392 Cl\n",
"nsites": 3,
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"formula_full": "Tl1 Pd1 Cl1",
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"spacegroup": 99
},
{
"id": "jvasp-8563",
"created_at": "2022-09-04T14:37:02.666233Z",
"updated_at": "2022-09-04T14:37:02.666255Z",
"structure_string": "Li1 I1\n1.0\n3.651717 -0.000000 2.108320\n1.217239 3.442872 2.108320\n-0.000000 -0.000000 4.216639\nLi I\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500000 0.500000 I\n",
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}
]
}