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=volume&page=3419",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3417",
"results": [
{
"id": "jvasp-102188",
"created_at": "2022-09-04T14:36:44.042464Z",
"updated_at": "2022-09-04T14:36:44.042483Z",
"structure_string": "Pr2 Tl3 In3\n1.0\n4.788451 -0.000000 0.000000\n0.000000 4.814049 0.000000\n0.000000 0.000000 9.537585\nPr Tl In\n2 3 3\ndirect\n0.000000 0.000000 0.251523 Pr\n0.000000 0.000000 0.748476 Pr\n0.000000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.500000 0.253768 In\n0.500000 0.500000 0.746232 In\n0.000000 0.500000 0.500000 In\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"In"
],
"chemical_system": "In-Pr-Tl",
"density": 9.361023628702005,
"density_atomic": 0.036386979946227,
"volume": 219.8588619287028,
"volume_molar": 16.550262673350666,
"formula_full": "Pr2 Tl3 In3",
"formula_reduced": "Pr2(TlIn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-112006",
"created_at": "2022-09-04T14:38:43.074627Z",
"updated_at": "2022-09-04T14:38:43.074654Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n4.983171 -0.093957 0.551576\n0.236720 5.624354 1.189726\n-0.171535 0.162292 7.852219\nSn H C O\n1 12 7 4\ndirect\n0.004209 0.799053 0.760903 Sn\n0.070545 0.666529 0.450856 H\n0.033594 0.407972 0.626812 H\n0.039682 0.893586 0.077441 H\n0.966331 0.166132 0.921610 H\n0.299795 0.039826 -0.079786 H\n0.742263 0.584439 0.557416 H\n0.766588 0.314067 0.352968 H\n0.347610 0.009482 0.256285 H\n0.622535 0.094240 0.103739 H\n0.361177 0.500899 0.241988 H\n0.148284 0.369856 0.123121 H\n0.844882 0.013862 0.362065 H\n0.357715 0.390215 0.144577 C\n0.499976 0.145579 0.212422 C\n0.674443 0.140711 0.363463 C\n0.523918 0.071039 0.543610 C\n-0.043621 0.588265 0.574348 C\n0.086961 0.000581 -0.055114 C\n0.501277 0.521355 0.974182 C\n0.749129 0.564402 0.979529 O\n0.654237 0.040969 0.680478 O\n0.272021 0.045901 0.549996 O\n0.381914 0.574906 0.833562 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.1062827644619078,
"density_atomic": 0.1091603465202711,
"volume": 219.8600569259204,
"volume_molar": 5.51678420962294,
"formula_full": "Sn1 H12 C7 O4",
"formula_reduced": "SnH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.4014627375,
"spacegroup": 1
},
{
"id": "jvasp-66577",
"created_at": "2022-09-04T14:35:55.969798Z",
"updated_at": "2022-09-04T14:35:55.969821Z",
"structure_string": "Ba4 Ga1 Tc1\n1.0\n0.000000 4.790424 4.790424\n4.790424 0.000000 4.790424\n4.790424 4.790424 0.000000\nBa Ga Tc\n4 1 1\ndirect\n0.123607 0.625464 0.625464 Ba\n0.625464 0.625464 0.625464 Ba\n0.625464 0.123607 0.625464 Ba\n0.625464 0.625464 0.123607 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Tc"
],
"chemical_system": "Ba-Ga-Tc",
"density": 5.415457733983034,
"density_atomic": 0.02728973957763057,
"volume": 219.86285295731466,
"volume_molar": 22.067417473402184,
"formula_full": "Ba4 Ga1 Tc1",
"formula_reduced": "Ba4GaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9289446174999998,
"spacegroup": 216
},
{
"id": "jvasp-103978",
"created_at": "2022-09-04T14:36:43.219460Z",
"updated_at": "2022-09-04T14:36:43.219487Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.778546 0.059985 0.437202\n0.725888 4.286057 0.360394\n0.165553 0.040197 13.634367\nCd H C O\n1 14 9 4\ndirect\n0.856001 0.042398 0.835509 Cd\n0.562957 0.317671 0.398391 H\n0.898704 0.830987 0.118211 H\n0.310653 0.836912 0.163158 H\n0.607993 0.836605 0.305521 H\n0.033822 0.820637 0.345381 H\n0.989975 0.299249 0.436828 H\n0.322468 0.797085 0.493261 H\n0.159311 0.323402 0.040858 H\n0.567632 0.309578 0.089126 H\n0.844140 0.332729 0.221109 H\n0.267410 0.320538 0.261140 H\n0.321530 0.250658 0.575028 H\n0.742806 0.244036 0.612474 H\n0.753008 0.784978 0.530567 H\n0.468221 0.645372 0.969123 C\n0.334799 0.471752 0.062961 C\n0.137654 0.678981 0.145130 C\n0.027122 0.482855 0.238622 C\n0.572831 0.638476 0.509662 C\n0.746518 0.464551 0.417770 C\n0.494629 0.404680 0.595986 C\n0.304976 0.528294 0.693051 C\n0.849687 0.673487 0.326680 C\n0.308343 0.923501 0.945558 O\n0.344133 0.342821 0.771239 O\n0.101266 0.795877 0.693435 O\n0.751346 0.521507 0.915848 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.2552876101067976,
"density_atomic": 0.12734963568842836,
"volume": 219.86713859554627,
"volume_molar": 4.728824489717173,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479343348214286,
"spacegroup": 1
},
{
"id": "jvasp-10361",
"created_at": "2022-09-04T14:37:03.567033Z",
"updated_at": "2022-09-04T14:37:03.567052Z",
"structure_string": "Mn2 Ge4 O12\n1.0\n5.339434 0.095078 1.300866\n1.509513 6.347887 0.801663\n0.216270 0.048467 6.570224\nMn Ge O\n2 4 12\ndirect\n0.749999 0.914050 0.085951 Mn\n0.250000 0.085951 0.914049 Mn\n0.758553 0.389195 0.202036 Ge\n0.741445 0.797965 0.610805 Ge\n0.241446 0.610806 0.797964 Ge\n0.258553 0.202036 0.389194 Ge\n0.630424 0.981186 0.818998 O\n0.869574 0.181002 0.018816 O\n0.747752 0.640992 0.064527 O\n0.752246 0.935474 0.359009 O\n0.252247 0.359010 0.935472 O\n0.568128 0.599974 0.667517 O\n-0.068130 0.332483 0.400027 O\n0.130425 0.818999 0.981184 O\n0.068129 0.667518 0.599972 O\n0.431870 0.400028 0.332483 O\n0.247753 0.064528 0.640992 O\n0.369574 0.018815 0.181002 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O",
"density": 4.474295479481523,
"density_atomic": 0.08186755871990943,
"volume": 219.8673110747416,
"volume_molar": 7.355954976748894,
"formula_full": "Mn2 Ge4 O12",
"formula_reduced": "Mn(GeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4860733490421456,
"spacegroup": 15
},
{
"id": "jvasp-107497",
"created_at": "2022-09-04T14:37:01.496614Z",
"updated_at": "2022-09-04T14:37:01.496623Z",
"structure_string": "Ce2 Ge2 Bi4\n1.0\n4.561665 0.037222 -9.711864\n-0.193528 4.557710 -9.711864\n-0.035385 -0.037222 10.729764\nCe Ge Bi\n2 2 4\ndirect\n0.121208 0.121208 -0.000000 Ce\n0.878790 0.878791 -0.000001 Ce\n0.381218 0.381219 -0.000000 Ge\n0.618780 0.618781 -0.000001 Ge\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Bi"
],
"chemical_system": "Bi-Ce-Ge",
"density": 9.526176479072983,
"density_atomic": 0.03638271609787711,
"volume": 219.88462814261388,
"volume_molar": 16.552202270438475,
"formula_full": "Ce2 Ge2 Bi4",
"formula_reduced": "CeGeBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0882475124999995,
"spacegroup": 139
},
{
"id": "jvasp-90872",
"created_at": "2022-09-04T14:36:07.529610Z",
"updated_at": "2022-09-04T14:36:07.529633Z",
"structure_string": "Sr2 Hg6\n1.0\n0.000000 0.000000 -5.295079\n-3.461805 -5.998128 0.000000\n-3.461805 5.998128 -0.000000\nSr Hg\n2 6\ndirect\n0.750000 0.666711 0.333290 Sr\n0.250000 0.333290 0.666711 Sr\n0.750000 0.159424 0.318683 Hg\n0.750000 0.159398 0.840604 Hg\n0.750000 0.681318 0.840577 Hg\n0.250000 0.840577 0.681318 Hg\n0.250000 0.840604 0.159398 Hg\n0.250000 0.318683 0.159424 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.411739718642963,
"density_atomic": 0.03638054637509615,
"volume": 219.8977419832348,
"volume_molar": 16.55318943786502,
"formula_full": "Sr2 Hg6",
"formula_reduced": "SrHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-66636",
"created_at": "2022-09-04T14:36:20.027354Z",
"updated_at": "2022-09-04T14:36:20.027378Z",
"structure_string": "Ba4 Re1 Se1\n1.0\n0.000000 4.790712 4.790712\n4.790712 0.000000 4.790712\n4.790712 4.790712 0.000000\nBa Re Se\n4 1 1\ndirect\n0.125902 0.624699 0.624699 Ba\n0.624699 0.624699 0.624699 Ba\n0.624699 0.125902 0.624699 Ba\n0.624699 0.624699 0.125902 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Se"
],
"chemical_system": "Ba-Re-Se",
"density": 6.150305231674381,
"density_atomic": 0.02728481819692961,
"volume": 219.90250976549245,
"volume_molar": 22.071397788084504,
"formula_full": "Ba4 Re1 Se1",
"formula_reduced": "Ba4ReSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5078842077777777,
"spacegroup": 216
},
{
"id": "jvasp-21798",
"created_at": "2022-09-04T14:38:18.997916Z",
"updated_at": "2022-09-04T14:38:18.997931Z",
"structure_string": "Ba1 Al9 Ni2\n1.0\n3.990508 -6.911762 -0.000000\n3.990508 6.911762 0.000000\n0.000000 -0.000000 3.986589\nBa Al Ni\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.574133 0.787066 0.500000 Al\n0.787066 0.212934 0.500000 Al\n0.787066 0.574133 0.500000 Al\n0.212934 0.425868 0.500000 Al\n0.212934 0.787066 0.500000 Al\n0.425868 0.212934 0.500000 Al\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ni"
],
"chemical_system": "Al-Ba-Ni",
"density": 3.756949468336715,
"density_atomic": 0.05456734522431076,
"volume": 219.91174301537723,
"volume_molar": 11.03616226012957,
"formula_full": "Ba1 Al9 Ni2",
"formula_reduced": "BaAl9Ni2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.6968613308333336,
"spacegroup": 191
},
{
"id": "jvasp-66295",
"created_at": "2022-09-04T14:35:50.123082Z",
"updated_at": "2022-09-04T14:35:50.123115Z",
"structure_string": "Ba4 Tc1 Pd1\n1.0\n0.000000 4.790872 4.790872\n4.790872 0.000000 4.790872\n4.790872 4.790872 0.000000\nBa Tc Pd\n4 1 1\ndirect\n0.125379 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125379 0.624873 Ba\n0.624873 0.624873 0.125379 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Pd"
],
"chemical_system": "Ba-Pd-Tc",
"density": 5.691019157392388,
"density_atomic": 0.02728208460785636,
"volume": 219.9245433859623,
"volume_molar": 22.07360928081653,
"formula_full": "Ba4 Tc1 Pd1",
"formula_reduced": "Ba4TcPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3214585133333332,
"spacegroup": 216
},
{
"id": "jvasp-66169",
"created_at": "2022-09-04T14:35:49.107580Z",
"updated_at": "2022-09-04T14:35:49.107609Z",
"structure_string": "Ba4 In1 Re1\n1.0\n0.000000 4.790918 4.790918\n4.790918 -0.000000 4.790918\n4.790918 4.790918 -0.000000\nBa In Re\n4 1 1\ndirect\n0.122574 0.625809 0.625809 Ba\n0.625809 0.625809 0.625809 Ba\n0.625809 0.122574 0.625809 Ba\n0.625809 0.625809 0.122574 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Re"
],
"chemical_system": "Ba-In-Re",
"density": 6.420249747911742,
"density_atomic": 0.027281298768581506,
"volume": 219.93087832423495,
"volume_molar": 22.074245112316262,
"formula_full": "Ba4 In1 Re1",
"formula_reduced": "Ba4InRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.201021975,
"spacegroup": 216
},
{
"id": "jvasp-97746",
"created_at": "2022-09-04T14:35:54.924143Z",
"updated_at": "2022-09-04T14:35:54.924174Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.064714 3.653195 -0.267013\n-4.064714 3.653195 0.267013\n-0.013748 0.000000 7.406673\nH Pt O\n16 2 12\ndirect\n0.136777 0.618788 0.847283 H\n0.971213 0.949018 0.484743 H\n0.157278 0.157049 0.712284 H\n0.050980 0.028786 0.984743 H\n0.406071 0.762246 0.601717 H\n0.541582 0.473819 0.008399 H\n0.526179 0.458417 0.508399 H\n0.237753 0.593927 0.101717 H\n0.842949 0.842721 0.212284 H\n0.516608 0.139515 0.338645 H\n0.111012 0.254194 0.252693 H\n0.805940 0.377765 0.111171 H\n0.745804 0.888987 0.752693 H\n0.622233 0.194059 0.611171 H\n0.860484 0.483391 0.838644 H\n0.381211 0.863222 0.347283 H\n0.006339 0.496290 0.506127 Pt\n0.503709 -0.006339 0.006127 Pt\n0.143960 0.174601 0.575115 O\n0.188505 0.139485 0.927048 O\n0.354364 0.656819 0.496284 O\n0.674283 0.349005 0.005715 O\n0.650994 0.325716 0.505715 O\n0.590219 0.965869 0.747342 O\n0.398610 0.025034 0.266365 O\n0.034130 0.409780 0.247343 O\n0.974965 0.601389 0.766365 O\n0.825398 0.856039 0.075115 O\n0.343180 0.645635 0.996284 O\n0.860514 0.811494 0.427049 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"Pt",
"O"
],
"chemical_system": "H-O-Pt",
"density": 4.517063714478033,
"density_atomic": 0.13640120206960446,
"volume": 219.9394106856275,
"volume_molar": 4.4150202994009895,
"formula_full": "H16 Pt2 O12",
"formula_reduced": "H8PtO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.05977416,
"spacegroup": 9
}
]
}