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=-formula_reduced&page=638",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=636",
"results": [
{
"id": "jvasp-58481",
"created_at": "2022-09-04T14:37:56.145613Z",
"updated_at": "2022-09-04T14:37:56.145639Z",
"structure_string": "Ti4 Zn2 S8\n1.0\n6.353206 0.000000 -3.335515\n-1.751187 6.107093 -3.335515\n-0.293397 -0.389352 7.159445\nTi Zn S\n4 2 8\ndirect\n-0.000000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.375000 0.625000 0.750001 Zn\n0.625000 0.375000 0.250001 Zn\n0.756410 0.769171 0.512823 S\n0.756351 0.243590 0.987179 S\n0.230829 0.243590 0.987179 S\n0.243589 0.230829 0.487179 S\n0.243589 0.756351 0.487179 S\n0.243649 0.756410 0.012822 S\n0.756411 0.243649 0.512823 S\n0.769171 0.756410 0.012823 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"S"
],
"chemical_system": "S-Ti-Zn",
"density": 3.678514851034705,
"density_atomic": 0.053581939232958224,
"volume": 261.28207004849514,
"volume_molar": 11.239124313544414,
"formula_full": "Ti4 Zn2 S8",
"formula_reduced": "Ti2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.038511009523809,
"spacegroup": 227
},
{
"id": "jvasp-59867",
"created_at": "2022-09-04T14:38:36.784809Z",
"updated_at": "2022-09-04T14:38:36.784830Z",
"structure_string": "Ti4 Zn2 S8\n1.0\n7.051031 -0.024921 -0.003800\n-0.110139 7.050314 -0.000768\n-3.512181 -3.468476 5.035844\nTi Zn S\n4 2 8\ndirect\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 0.499999 0.499999 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000000 0.500000 Zn\n0.240776 0.249131 0.991639 S\n0.249295 0.743887 0.994563 S\n0.757480 0.249146 0.508370 S\n0.750682 0.745247 0.494560 S\n0.242519 0.750852 0.491629 S\n0.750704 0.256111 0.005436 S\n0.249317 0.254752 0.505439 S\n0.759223 0.750868 0.008360 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"S"
],
"chemical_system": "S-Ti-Zn",
"density": 3.841238405863873,
"density_atomic": 0.0559522011401991,
"volume": 250.213570059921,
"volume_molar": 10.763009564021184,
"formula_full": "Ti4 Zn2 S8",
"formula_reduced": "Ti2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.056478152380953,
"spacegroup": 74
},
{
"id": "jvasp-40060",
"created_at": "2022-09-04T14:37:46.484296Z",
"updated_at": "2022-09-04T14:37:46.484329Z",
"structure_string": "Ti2 Zn1 Re1\n1.0\n-0.000000 3.128111 3.128111\n3.128111 -0.000000 3.128111\n3.128111 3.128111 0.000000\nTi Zn Re\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Zn\n0.249999 0.249999 0.249999 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Re"
],
"chemical_system": "Re-Ti-Zn",
"density": 9.421931416645425,
"density_atomic": 0.06534066185888947,
"volume": 61.21762293498727,
"volume_molar": 9.21652855767744,
"formula_full": "Ti2 Zn1 Re1",
"formula_reduced": "Ti2ZnRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.164786266666667,
"spacegroup": 225
},
{
"id": "jvasp-81535",
"created_at": "2022-09-04T14:37:13.497774Z",
"updated_at": "2022-09-04T14:37:13.497797Z",
"structure_string": "Ti2 Zn1 Os1\n1.0\n-8.847980 0.000001 -5.108382\n-5.653357 -1.046921 -0.424865\n-4.340255 2.667091 -2.699224\nTi Zn Os\n2 1 1\ndirect\n0.742495 0.000001 0.000000 Ti\n0.257504 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Os"
],
"chemical_system": "Os-Ti-Zn",
"density": 8.94796357562749,
"density_atomic": 0.061343240586389354,
"volume": 65.20685835576002,
"volume_molar": 9.817121988394225,
"formula_full": "Ti2 Zn1 Os1",
"formula_reduced": "Ti2ZnOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1030480166666665,
"spacegroup": 71
},
{
"id": "jvasp-11349",
"created_at": "2022-09-04T14:37:17.068724Z",
"updated_at": "2022-09-04T14:37:17.068743Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.329196 0.000000 0.000000\n0.000000 4.817294 0.000000\n0.000000 0.000000 12.396709\nTi Zn O\n4 2 10\ndirect\n0.000000 0.547015 0.357042 Ti\n0.500001 0.452984 0.142958 Ti\n0.500001 0.452984 0.857042 Ti\n0.000000 0.547015 0.642958 Ti\n0.500001 0.045624 0.500000 Zn\n0.000000 0.954375 0.000000 Zn\n0.500001 0.610517 0.000000 O\n0.000000 0.389483 0.500000 O\n0.500001 0.399717 0.315841 O\n0.000000 0.600283 0.184159 O\n0.500001 0.399717 0.684159 O\n0.000000 0.600283 0.815841 O\n0.000000 0.899851 0.604757 O\n0.500001 0.100148 0.895243 O\n0.500001 0.100148 0.104757 O\n0.000000 0.899851 0.395243 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.028092422625307,
"density_atomic": 0.08047686678849454,
"volume": 198.81489723065928,
"volume_molar": 7.483070601924777,
"formula_full": "Ti4 Zn2 O10",
"formula_reduced": "Ti2ZnO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3073305708333334,
"spacegroup": 59
},
{
"id": "jvasp-10321",
"created_at": "2022-09-04T14:37:19.011437Z",
"updated_at": "2022-09-04T14:37:19.011454Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.664573 -0.000308 0.000000\n-1.832709 5.052091 0.000000\n0.000000 0.000000 11.728026\nTi Zn O\n4 2 10\ndirect\n0.207619 0.415273 0.599002 Ti\n0.792380 0.584727 0.400998 Ti\n0.792380 0.584727 0.099002 Ti\n0.207619 0.415273 0.900999 Ti\n0.908977 0.817727 0.750000 Zn\n0.091023 0.182273 0.250000 Zn\n0.697887 0.395783 0.250000 O\n0.302112 0.604217 0.750000 O\n0.234930 0.469877 0.073204 O\n0.765070 0.530123 0.926796 O\n0.765070 0.530123 0.573204 O\n0.234930 0.469877 0.426795 O\n0.042655 0.085473 0.629455 O\n0.957344 0.914525 0.370545 O\n0.042655 0.085473 0.870545 O\n0.957344 0.914525 0.129456 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 3.6884349549670095,
"density_atomic": 0.07369088327309174,
"volume": 217.12319474724504,
"volume_molar": 8.172165256430015,
"formula_full": "Ti4 Zn2 O10",
"formula_reduced": "Ti2ZnO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.2992618208333333,
"spacegroup": 63
},
{
"id": "jvasp-59885",
"created_at": "2022-09-04T14:38:01.425222Z",
"updated_at": "2022-09-04T14:38:01.425250Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n5.922489 0.006342 0.010893\n-2.955703 -5.193095 -0.010470\n-2.953946 1.563191 -4.953251\nTi Zn O\n4 2 8\ndirect\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.026782 0.253988 0.746008 O\n0.004135 0.247304 0.260967 O\n0.473216 0.253989 0.746012 O\n0.504114 0.260947 0.247286 O\n0.526784 0.746011 0.253988 O\n0.995865 0.752696 0.739033 O\n0.495886 0.739053 0.752714 O\n0.973218 0.746012 0.253993 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.914961473758914,
"density_atomic": 0.09202699506276214,
"volume": 152.12927457266252,
"volume_molar": 6.543885037094732,
"formula_full": "Ti4 Zn2 O8",
"formula_reduced": "Ti2ZnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2037215809523807,
"spacegroup": 74
},
{
"id": "jvasp-58585",
"created_at": "2022-09-04T14:36:33.426213Z",
"updated_at": "2022-09-04T14:36:33.426225Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n6.082440 -0.014607 -0.095161\n3.028569 5.274851 -0.095161\n2.959303 1.708555 4.832522\nTi Zn O\n4 2 8\ndirect\n0.995057 0.995056 0.004944 Ti\n0.254943 0.254943 0.245057 Ti\n0.625000 0.624999 0.125000 Ti\n0.625000 0.624999 0.625000 Ti\n0.125000 0.624999 0.625000 Zn\n0.625000 0.124999 0.625000 Zn\n0.386042 0.386041 0.371678 O\n0.383683 0.872120 0.372098 O\n0.386042 0.386041 0.856240 O\n0.872121 0.383682 0.372098 O\n0.377880 0.866316 0.877902 O\n0.866317 0.377878 0.877902 O\n0.863959 0.863957 0.393760 O\n0.863959 0.863957 0.878322 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.755020335910554,
"density_atomic": 0.08903228139477345,
"volume": 157.24633560633274,
"volume_molar": 6.763996907253827,
"formula_full": "Ti4 Zn2 O8",
"formula_reduced": "Ti2ZnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.199977295238095,
"spacegroup": 74
},
{
"id": "jvasp-116348",
"created_at": "2022-09-04T14:38:42.094292Z",
"updated_at": "2022-09-04T14:38:42.094324Z",
"structure_string": "Ti2 Zn1 N2\n1.0\n3.116180 0.000000 0.000000\n0.000000 3.116180 0.000000\n-0.000000 0.000000 7.628047\nTi Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.187565 Ti\n0.500000 0.500000 0.812435 Ti\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.670332 N\n0.500000 0.000000 0.329668 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"N"
],
"chemical_system": "N-Ti-Zn",
"density": 4.240447643680556,
"density_atomic": 0.06750121223622231,
"volume": 74.07274379758344,
"volume_molar": 8.92152979256929,
"formula_full": "Ti2 Zn1 N2",
"formula_reduced": "Ti2ZnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.402798713333333,
"spacegroup": 115
},
{
"id": "jvasp-36525",
"created_at": "2022-09-04T14:37:36.519534Z",
"updated_at": "2022-09-04T14:37:36.519545Z",
"structure_string": "Ti4 Zn2 N2\n1.0\n1.504641 -8.144123 0.000000\n1.504641 8.144123 -0.000000\n0.000000 0.000000 4.178566\nTi Zn N\n4 2 2\ndirect\n0.788299 0.211700 0.250000 Ti\n0.211700 0.788299 0.750001 Ti\n0.611847 0.388152 0.250000 Ti\n0.388152 0.611847 0.750001 Ti\n0.958360 0.041639 0.250000 Zn\n0.041639 0.958360 0.750001 Zn\n0.199524 0.800475 0.250000 N\n0.800475 0.199524 0.750001 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"N"
],
"chemical_system": "N-Ti-Zn",
"density": 5.680074254018831,
"density_atomic": 0.07811879026175741,
"volume": 102.40813987510444,
"volume_molar": 7.708952916220596,
"formula_full": "Ti4 Zn2 N2",
"formula_reduced": "Ti2ZnN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5180075791666665,
"spacegroup": 63
},
{
"id": "jvasp-36526",
"created_at": "2022-09-04T14:37:39.167227Z",
"updated_at": "2022-09-04T14:37:39.167257Z",
"structure_string": "Ti2 Zn1\n1.0\n2.832295 0.000000 0.000000\n0.000000 2.832294 0.000000\n-1.416146 -1.416146 6.017291\nTi Zn\n2 1\ndirect\n0.665371 0.665372 0.330747 Ti\n0.334626 0.334626 0.669253 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.5434828636745825,
"density_atomic": 0.062150327567253125,
"volume": 48.27005934528161,
"volume_molar": 9.689636395694643,
"formula_full": "Ti2 Zn1",
"formula_reduced": "Ti2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8679635185185184,
"spacegroup": 139
},
{
"id": "jvasp-104678",
"created_at": "2022-09-04T14:36:47.952461Z",
"updated_at": "2022-09-04T14:36:47.952490Z",
"structure_string": "Ti2 V1 Te4\n1.0\n6.520811 -0.029350 3.453101\n5.363255 3.709087 3.453101\n0.028246 0.008746 7.013830\nTi V Te\n2 1 4\ndirect\n0.001362 0.001364 0.997986 Ti\n0.246556 0.246557 0.710701 Ti\n0.752490 0.752491 0.288009 V\n0.111606 0.111607 0.542182 Te\n0.889332 0.889334 0.452661 Te\n0.364984 0.364985 0.965619 Te\n0.633667 0.633668 0.042839 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.4053183813997565,
"density_atomic": 0.04109361898764217,
"volume": 170.34274839860336,
"volume_molar": 14.654685832880771,
"formula_full": "Ti2 V1 Te4",
"formula_reduced": "Ti2VTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4676317047619047,
"spacegroup": 8
}
]
}