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=-structure_string&page=826",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=824",
"results": [
{
"id": "jvasp-101021",
"created_at": "2022-09-04T14:37:09.314404Z",
"updated_at": "2022-09-04T14:37:09.314424Z",
"structure_string": "Ta2 V1 Ir1\n1.0\n3.881764 -0.000000 2.241137\n1.293921 3.659762 2.241137\n-0.000000 -0.000000 4.482275\nTa V Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.750000 0.750001 Ta\n0.000000 0.000000 0.000000 V\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"Ir"
],
"chemical_system": "Ir-Ta-V",
"density": 15.778399604226815,
"density_atomic": 0.0628173370216542,
"volume": 63.67668846931752,
"volume_molar": 9.586749527322477,
"formula_full": "Ta2 V1 Ir1",
"formula_reduced": "Ta2VIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.494900925,
"spacegroup": 225
},
{
"id": "jvasp-107520",
"created_at": "2022-09-04T14:36:53.184172Z",
"updated_at": "2022-09-04T14:36:53.184187Z",
"structure_string": "Ta2 V1 C2\n1.0\n3.033649 0.001043 6.805377\n1.448978 2.665237 6.805377\n0.001753 0.001043 7.450918\nTa V C\n2 1 2\ndirect\n0.776839 0.776838 0.776840 Ta\n0.223161 0.223161 0.223161 Ta\n0.000000 0.000000 0.000000 V\n0.611489 0.611488 0.611490 C\n0.388511 0.388511 0.388512 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"V",
"C"
],
"chemical_system": "C-Ta-V",
"density": 12.052320261142217,
"density_atomic": 0.08307122619737096,
"volume": 60.189312580030744,
"volume_molar": 7.249370252091678,
"formula_full": "Ta2 V1 C2",
"formula_reduced": "Ta2VC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.244944519999999,
"spacegroup": 166
},
{
"id": "jvasp-34432",
"created_at": "2022-09-04T14:38:15.611059Z",
"updated_at": "2022-09-04T14:38:15.611069Z",
"structure_string": "Ta2 Tl3 Cu3 S8\n1.0\n-5.569318 0.000677 -0.000119\n-0.000107 -7.272029 0.023579\n2.784628 1.053155 9.653637\nTa Tl Cu S\n2 3 3 8\ndirect\n0.137245 0.808852 0.736793 Ta\n0.400483 0.191124 0.263203 Ta\n0.687009 0.705734 0.357766 Tl\n0.329015 0.294216 0.642245 Tl\n0.013806 0.500001 0.000017 Tl\n0.266485 0.000053 0.999962 Cu\n0.641745 0.819433 0.746638 Cu\n0.895142 0.180586 0.253388 Cu\n0.737935 0.129635 0.438791 S\n0.940351 0.065281 0.809221 S\n0.299132 0.870306 0.561204 S\n0.848981 0.566951 0.667551 S\n0.131042 0.934736 0.190718 S\n0.541433 0.259086 0.077065 S\n0.464323 0.740980 0.922953 S\n0.181579 0.433031 0.332489 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ta-Tl",
"density": 6.0382534327065525,
"density_atomic": 0.04090914757328457,
"volume": 391.1105693741877,
"volume_molar": 14.720768134344397,
"formula_full": "Ta2 Tl3 Cu3 S8",
"formula_reduced": "Ta2Tl3Cu3S8",
"formula_anonymous": "A2B3C3D8",
"energy_above_hull": 1.935379846875,
"spacegroup": 5
},
{
"id": "jvasp-27158",
"created_at": "2022-09-04T14:38:33.016389Z",
"updated_at": "2022-09-04T14:38:33.016419Z",
"structure_string": "Ta2 Tl2 Ge6 O18\n1.0\n3.549544 -6.147991 0.000000\n3.549544 6.147991 -0.000000\n-0.000000 -0.000000 10.298750\nTa Tl Ge O\n2 2 6 18\ndirect\n0.333332 0.666666 0.000000 Ta\n0.333332 0.666666 0.500000 Ta\n0.666666 0.333332 0.000000 Tl\n0.666666 0.333332 0.500000 Tl\n0.072298 0.782880 0.750000 Ge\n0.710582 0.927701 0.750000 Ge\n0.217119 0.289417 0.750000 Ge\n0.217118 0.927701 0.250000 Ge\n0.072298 0.289417 0.250000 Ge\n0.710582 0.782880 0.250000 Ge\n0.559498 0.657658 0.109582 O\n0.098159 0.657658 0.609582 O\n0.342341 0.440501 0.609582 O\n0.098159 0.657658 0.890418 O\n0.342341 0.440501 0.890418 O\n0.559498 0.901839 0.890418 O\n0.342341 0.901839 0.109582 O\n0.559498 0.657658 0.390418 O\n0.799790 0.733117 0.750000 O\n0.098160 0.440501 0.109582 O\n0.266882 0.066674 0.750000 O\n0.933325 0.200209 0.750000 O\n0.098160 0.440501 0.390418 O\n0.799790 0.066673 0.250000 O\n0.933325 0.733117 0.250000 O\n0.266882 0.200209 0.250000 O\n0.342341 0.901839 0.390418 O\n0.559498 0.901839 0.609582 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"Ge",
"O"
],
"chemical_system": "Ge-O-Ta-Tl",
"density": 5.521057441199586,
"density_atomic": 0.06229278282844913,
"volume": 449.4902736503272,
"volume_molar": 9.667477493475676,
"formula_full": "Ta2 Tl2 Ge6 O18",
"formula_reduced": "TaTl(GeO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.522292225,
"spacegroup": 188
},
{
"id": "jvasp-10574",
"created_at": "2022-09-04T14:37:19.233161Z",
"updated_at": "2022-09-04T14:37:19.233184Z",
"structure_string": "Ta2 Tl2 Cu4 S8\n1.0\n5.303715 0.000000 -1.619082\n0.000000 7.380482 0.000000\n0.013787 -0.000000 9.541542\nTa Tl Cu S\n2 2 4 8\ndirect\n0.389828 0.250000 0.772958 Ta\n0.616870 0.750000 0.227042 Ta\n0.449859 0.250000 0.364122 Tl\n0.085737 0.750000 0.635878 Tl\n0.111836 0.750000 0.216845 Cu\n0.526681 0.000000 0.000000 Cu\n0.894992 0.250000 0.783156 Cu\n0.526681 0.500000 0.000000 Cu\n0.638474 0.503791 0.782260 S\n0.856215 0.496209 0.217741 S\n0.638474 -0.003791 0.782260 S\n0.856215 0.003791 0.217741 S\n0.038874 0.250000 0.573619 S\n0.272614 0.750000 0.015208 S\n0.257408 0.250000 0.984792 S\n0.465256 0.750000 0.426382 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ta-Tl",
"density": 5.694392764438989,
"density_atomic": 0.04281983464217412,
"volume": 373.6586125029375,
"volume_molar": 14.06390475424366,
"formula_full": "Ta2 Tl2 Cu4 S8",
"formula_reduced": "TaTl(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7778215874999996,
"spacegroup": 40
},
{
"id": "jvasp-110163",
"created_at": "2022-09-04T14:38:49.938854Z",
"updated_at": "2022-09-04T14:38:49.938874Z",
"structure_string": "Ta2 Ti2 Nb1 C5\n1.0\n3.119078 0.001621 12.526374\n1.537457 2.713831 12.526374\n0.002780 0.001621 12.908861\nTa Ti Nb C\n2 2 1 5\ndirect\n0.899991 0.899987 0.899987 Ta\n0.498251 0.498249 0.498249 Ta\n0.098620 0.098619 0.098620 Ti\n0.701372 0.701370 0.701370 Ti\n0.301648 0.301647 0.301647 Nb\n0.400218 0.400217 0.400217 C\n0.199119 0.199119 0.199119 C\n0.798362 0.798359 0.798359 C\n0.002409 0.002409 0.002409 C\n0.600020 0.600018 0.600018 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Ti",
"Nb",
"C"
],
"chemical_system": "C-Nb-Ta-Ti",
"density": 9.292507664827848,
"density_atomic": 0.09165040728550694,
"volume": 109.11026253105742,
"volume_molar": 6.570773593225816,
"formula_full": "Ta2 Ti2 Nb1 C5",
"formula_reduced": "Ta2Ti2NbC5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 6.722880446666666,
"spacegroup": 160
},
{
"id": "jvasp-111486",
"created_at": "2022-09-04T14:38:40.364423Z",
"updated_at": "2022-09-04T14:38:40.364450Z",
"structure_string": "Ta2 Ti2 Ga2 O12\n1.0\n4.663913 -0.000000 0.000000\n-0.000000 4.663913 0.000000\n0.000000 0.000000 9.073186\nTa Ti Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.833402 Ta\n0.000000 0.000000 0.333401 Ta\n0.500000 0.500000 0.499440 Ti\n0.000000 0.000000 0.999440 Ti\n0.500000 0.500000 0.167467 Ga\n0.000000 0.000000 0.667467 Ga\n0.699589 0.699589 0.998863 O\n0.304614 0.304614 0.665629 O\n0.304436 0.304436 0.335355 O\n0.300410 0.300410 0.998863 O\n0.804435 0.195564 0.835355 O\n0.195564 0.804435 0.835355 O\n0.804613 0.195386 0.165629 O\n0.695564 0.695564 0.335355 O\n0.199589 0.800410 0.498863 O\n0.195386 0.804613 0.165629 O\n0.800410 0.199589 0.498863 O\n0.695386 0.695386 0.665629 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Ti",
"Ga",
"O"
],
"chemical_system": "Ga-O-Ta-Ti",
"density": 6.639007234031983,
"density_atomic": 0.09120356404881703,
"volume": 197.36070829825724,
"volume_molar": 6.602966477030028,
"formula_full": "Ta2 Ti2 Ga2 O12",
"formula_reduced": "TaTiGaO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.9173512064814813,
"spacegroup": 102
},
{
"id": "jvasp-122460",
"created_at": "2022-09-04T14:38:54.044775Z",
"updated_at": "2022-09-04T14:38:54.044802Z",
"structure_string": "Ta2 Ti2 Fe8\n1.0\n4.707670 0.000654 0.000067\n-2.354211 4.076745 -0.000067\n-0.000115 0.000066 7.764051\nTa Ti Fe\n2 2 8\ndirect\n0.666673 0.333340 0.571093 Ta\n0.333341 0.666673 0.428907 Ta\n0.333328 0.666663 0.060201 Ti\n0.666663 0.333328 0.939799 Ti\n0.000004 0.000004 0.500000 Fe\n-0.000002 -0.000002 -0.000000 Fe\n0.170872 0.341744 0.751596 Fe\n0.170884 0.829123 0.751599 Fe\n0.658262 0.829134 0.751597 Fe\n0.829133 0.658261 0.248403 Fe\n0.829121 0.170882 0.248401 Fe\n0.341744 0.170871 0.248404 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Fe"
],
"chemical_system": "Fe-Ta-Ti",
"density": 10.07771229595217,
"density_atomic": 0.08052643409759044,
"volume": 149.01938890597256,
"volume_molar": 7.478464466341243,
"formula_full": "Ta2 Ti2 Fe8",
"formula_reduced": "TaTiFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.440439922222224,
"spacegroup": 164
},
{
"id": "jvasp-105259",
"created_at": "2022-09-04T14:36:57.174379Z",
"updated_at": "2022-09-04T14:36:57.174391Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n3.979634 -0.000000 2.297643\n1.326545 3.752035 2.297643\n-0.000000 -0.000000 4.595285\nTa Ti W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.749999 0.750001 Ta\n0.499999 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 14.365559456161744,
"density_atomic": 0.05829583485834976,
"volume": 68.61553676552377,
"volume_molar": 10.330310518123481,
"formula_full": "Ta2 Ti1 W1",
"formula_reduced": "Ta2TiW",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.300859183333333,
"spacegroup": 225
},
{
"id": "jvasp-35083",
"created_at": "2022-09-04T14:37:30.047077Z",
"updated_at": "2022-09-04T14:37:30.047106Z",
"structure_string": "Ta2 Ti1 N3\n1.0\n2.633810 -4.561894 0.000000\n2.633810 4.561894 -0.000000\n-0.000000 -0.000000 2.930727\nTa Ti N\n2 1 3\ndirect\n0.666667 0.333333 0.500001 Ta\n0.333333 0.666667 0.500001 Ta\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 10.65231142493528,
"density_atomic": 0.08519542176852643,
"volume": 70.42631957738095,
"volume_molar": 7.068620161728863,
"formula_full": "Ta2 Ti1 N3",
"formula_reduced": "Ta2TiN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.881754413888888,
"spacegroup": 191
},
{
"id": "jvasp-89176",
"created_at": "2022-09-04T14:35:56.570500Z",
"updated_at": "2022-09-04T14:35:56.570517Z",
"structure_string": "Ta2 Te8 I2\n1.0\n6.614387 0.019926 -1.472057\n-2.233485 7.022393 -3.005136\n-0.021671 0.000891 8.572797\nTa Te I\n2 8 2\ndirect\n0.750551 0.998626 0.001199 Ta\n0.249451 0.001374 0.998801 Ta\n0.118601 0.328992 0.167928 Te\n0.035127 0.881527 0.212897 Te\n0.382684 0.855286 0.689791 Te\n0.617317 0.144713 0.310209 Te\n0.881400 0.671008 0.832071 Te\n0.537745 0.252653 0.923624 Te\n0.462256 0.747347 0.076375 Te\n0.964874 0.118473 0.787102 Te\n0.249449 0.400186 0.574107 I\n0.750552 0.599814 0.425893 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 6.821398403038297,
"density_atomic": 0.030122312299377087,
"volume": 398.37579136473374,
"volume_molar": 19.992292424790158,
"formula_full": "Ta2 Te8 I2",
"formula_reduced": "TaTe4I",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8143810902777784,
"spacegroup": 2
},
{
"id": "jvasp-34756",
"created_at": "2022-09-04T14:38:32.630661Z",
"updated_at": "2022-09-04T14:38:32.630678Z",
"structure_string": "Ta2 Te8\n1.0\n6.627112 -0.000000 -0.000000\n0.000000 6.627112 0.000000\n0.000000 0.000000 6.880575\nTa Te\n2 8\ndirect\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.323540 0.143193 0.500000 Te\n0.676460 0.856807 0.500000 Te\n0.143193 0.323540 0.000000 Te\n0.676460 0.143193 0.000000 Te\n0.323540 0.856807 0.000000 Te\n0.856807 0.676460 0.000000 Te\n0.856807 0.323540 0.500000 Te\n0.143193 0.676460 0.500000 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 7.598053981326381,
"density_atomic": 0.033092276636068056,
"volume": 302.1853138112826,
"volume_molar": 18.19802495376316,
"formula_full": "Ta2 Te8",
"formula_reduced": "TaTe4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.1636040533333327,
"spacegroup": 124
}
]
}