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=updated_at&page=326",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=324",
"results": [
{
"id": "jvasp-68711",
"created_at": "2022-09-04T14:35:51.413369Z",
"updated_at": "2022-09-04T14:35:51.413394Z",
"structure_string": "Be2 Zn1 Mo1\n1.0\n2.709935 0.000000 -0.000000\n-0.000000 2.709935 0.000000\n-0.000000 0.000000 6.328842\nBe Zn Mo\n2 1 1\ndirect\n0.000000 0.000000 0.729494 Be\n0.000000 0.000000 0.270505 Be\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Mo"
],
"chemical_system": "Be-Mo-Zn",
"density": 6.408627790189445,
"density_atomic": 0.08606329899528611,
"volume": 46.477418907902766,
"volume_molar": 6.997338970621898,
"formula_full": "Be2 Zn1 Mo1",
"formula_reduced": "Be2ZnMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.051872125,
"spacegroup": 123
},
{
"id": "jvasp-1378",
"created_at": "2022-09-04T14:35:51.417676Z",
"updated_at": "2022-09-04T14:35:51.417703Z",
"structure_string": "Sc1 B2\n1.0\n1.569959 -2.719248 0.000000\n1.569959 2.719248 0.000000\n0.000000 0.000000 3.532482\nSc B\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.666668 0.333333 0.500000 B\n0.333333 0.666668 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sc",
"B"
],
"chemical_system": "B-Sc",
"density": 3.6654912443265695,
"density_atomic": 0.09946588998845665,
"volume": 30.16109341954473,
"volume_molar": 6.054478334933604,
"formula_full": "Sc1 B2",
"formula_reduced": "ScB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1242268055555558,
"spacegroup": 191
},
{
"id": "jvasp-86181",
"created_at": "2022-09-04T14:35:51.421374Z",
"updated_at": "2022-09-04T14:35:51.421392Z",
"structure_string": "Ti8 Al2 N6\n1.0\n2.999305 -0.000000 -0.000000\n-1.499652 2.597474 0.000000\n-0.000000 0.000000 23.465903\nTi Al N\n8 2 6\ndirect\n0.333334 0.666666 0.446233 Ti\n0.666668 0.333333 0.553767 Ti\n0.000000 0.000000 0.654360 Ti\n0.000000 0.000000 0.154360 Ti\n0.000000 0.000000 0.845640 Ti\n0.666668 0.333333 0.946233 Ti\n0.000000 0.000000 0.345640 Ti\n0.333334 0.666666 0.053767 Ti\n0.666668 0.333333 0.750000 Al\n0.333334 0.666666 0.250000 Al\n0.666668 0.333333 0.105663 N\n0.333334 0.666666 0.605663 N\n0.000000 0.000000 0.500000 N\n0.666668 0.333333 0.394337 N\n0.333334 0.666666 0.894337 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.73180772429583,
"density_atomic": 0.08752071781716593,
"volume": 182.81385709638033,
"volume_molar": 6.880817376955796,
"formula_full": "Ti8 Al2 N6",
"formula_reduced": "Ti4AlN3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.526486985416668,
"spacegroup": 194
},
{
"id": "jvasp-108063",
"created_at": "2022-09-04T14:35:51.429392Z",
"updated_at": "2022-09-04T14:35:51.429420Z",
"structure_string": "Ti1 Al2 Cr3 C2\n1.0\n2.898999 0.000000 0.000000\n-1.449499 2.510607 0.000000\n0.000000 0.000000 12.871456\nTi Al Cr C\n1 2 3 2\ndirect\n0.666667 0.333334 0.584230 Ti\n0.666667 0.333334 0.245744 Al\n0.333334 0.666667 0.763031 Al\n0.333334 0.666667 0.407979 Cr\n0.333334 0.666667 0.085281 Cr\n0.666667 0.333334 0.922118 Cr\n0.000000 0.000000 0.488045 C\n0.000000 0.000000 0.003574 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Cr",
"C"
],
"chemical_system": "Al-C-Cr-Ti",
"density": 4.995706402331811,
"density_atomic": 0.0853956030188688,
"volume": 93.68163836529546,
"volume_molar": 7.052050160790319,
"formula_full": "Ti1 Al2 Cr3 C2",
"formula_reduced": "TiAl2Cr3C2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.854659516666667,
"spacegroup": 156
},
{
"id": "jvasp-71554",
"created_at": "2022-09-04T14:35:51.434205Z",
"updated_at": "2022-09-04T14:35:51.434226Z",
"structure_string": "Be2 Se1 Cl1\n1.0\n3.178166 -0.000000 0.000000\n0.000000 3.178166 0.000000\n0.000000 -0.000000 6.327749\nBe Se Cl\n2 1 1\ndirect\n0.000000 0.000000 0.679101 Be\n0.000000 0.000000 0.320899 Be\n0.500001 0.500001 0.500000 Se\n0.500001 0.500001 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Se",
"Cl"
],
"chemical_system": "Be-Cl-Se",
"density": 3.4407825510303067,
"density_atomic": 0.06258317510462405,
"volume": 63.914941888342355,
"volume_molar": 9.622619417970448,
"formula_full": "Be2 Se1 Cl1",
"formula_reduced": "Be2SeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.365597408541667,
"spacegroup": 123
},
{
"id": "jvasp-89988",
"created_at": "2022-09-04T14:35:51.435359Z",
"updated_at": "2022-09-04T14:35:51.435382Z",
"structure_string": "Te1 N2 Cl6\n1.0\n-4.883691 -4.883691 0.000000\n-4.883691 0.000000 -4.883691\n-0.000000 -4.883691 -4.883691\nTe N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.755605 0.244395 0.244395 Cl\n0.755605 0.244395 0.755605 Cl\n0.755605 0.755605 0.244395 Cl\n0.244395 0.755605 0.755605 Cl\n0.244395 0.755605 0.244395 Cl\n0.244395 0.244395 0.755605 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"N",
"Cl"
],
"chemical_system": "Cl-N-Te",
"density": 2.6255078004041694,
"density_atomic": 0.03863384927643504,
"volume": 232.95633669849218,
"volume_molar": 15.587731672580817,
"formula_full": "Te1 N2 Cl6",
"formula_reduced": "Te(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.652827630185185,
"spacegroup": 225
},
{
"id": "jvasp-90772",
"created_at": "2022-09-04T14:35:51.436230Z",
"updated_at": "2022-09-04T14:35:51.436256Z",
"structure_string": "Zr4 Sn4\n1.0\n3.114304 0.000000 0.000000\n0.000000 5.124718 0.000000\n0.000000 0.000000 12.429247\nZr Sn\n4 4\ndirect\n0.000000 0.000000 0.536827 Zr\n0.499999 0.000000 0.295477 Zr\n0.000000 0.500000 0.704523 Zr\n0.499999 0.500000 0.463172 Zr\n0.000000 0.000000 0.066714 Sn\n0.499999 0.000000 0.757740 Sn\n0.000000 0.500000 0.242260 Sn\n0.499999 0.500000 0.933286 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.02936468278546,
"density_atomic": 0.04032869719791531,
"volume": 198.36990916764697,
"volume_molar": 14.932643944449808,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.5127681,
"spacegroup": 59
},
{
"id": "jvasp-95246",
"created_at": "2022-09-04T14:35:51.436469Z",
"updated_at": "2022-09-04T14:35:51.436493Z",
"structure_string": "H24 C12 N16 O12\n1.0\n3.023778 3.552382 -1.818642\n-3.023778 3.552382 1.818642\n-0.196328 0.000000 24.836727\nH C N O\n24 12 16 12\ndirect\n0.739705 0.093877 0.501373 H\n0.070668 0.545670 0.200446 H\n0.545669 0.070668 0.299554 H\n0.929331 0.454330 0.799554 H\n0.454330 0.929331 0.700446 H\n0.176391 0.689674 0.135464 H\n0.689673 0.176392 0.364536 H\n0.823608 0.310326 0.864536 H\n0.310326 0.823608 0.635464 H\n0.595752 0.163562 0.202233 H\n0.404247 0.836437 0.797767 H\n0.836437 0.404247 0.702233 H\n0.163562 0.595752 0.297767 H\n0.468952 0.651270 0.379807 H\n0.348729 0.531048 0.879807 H\n0.531047 0.348730 0.620193 H\n0.722691 0.014134 0.042336 H\n0.014134 0.722691 0.457664 H\n0.277308 0.985866 0.957664 H\n0.985865 0.277308 0.542336 H\n0.906123 0.260294 0.001373 H\n0.260294 0.906123 0.498627 H\n0.093876 0.739705 0.998627 H\n0.651270 0.468952 0.120193 H\n0.151062 0.666720 0.705449 C\n0.333279 0.848937 0.205449 C\n0.848937 0.333280 0.294551 C\n0.666720 0.151063 0.794551 C\n0.061612 0.546580 0.374335 C\n0.546580 0.061613 0.125665 C\n0.938387 0.453419 0.625665 C\n0.804442 0.376364 0.062532 C\n0.376364 0.804443 0.437468 C\n0.195557 0.623636 0.937468 C\n0.623635 0.195557 0.562532 C\n0.453419 0.938387 0.874335 C\n0.186713 0.680016 0.178134 N\n0.680016 0.186713 0.321867 N\n0.813286 0.319983 0.821867 N\n0.319983 0.813286 0.678134 N\n0.484809 0.043981 0.176651 N\n0.515190 0.956019 0.823349 N\n0.956018 0.515191 0.676651 N\n0.043981 0.484809 0.323349 N\n0.303668 0.673391 0.393853 N\n0.326608 0.696331 0.893853 N\n0.696331 0.326608 0.606147 N\n0.802097 0.205928 0.032122 N\n0.205928 0.802097 0.467878 N\n0.197902 0.794072 0.967879 N\n0.794071 0.197903 0.532122 N\n0.673391 0.303668 0.106147 N\n0.660299 0.155626 0.742926 O\n0.155625 0.660300 0.757074 O\n0.498426 0.882031 0.101162 O\n0.882031 0.498426 0.398838 O\n0.501573 0.117969 0.898838 O\n0.080140 0.398047 0.944815 O\n0.919859 0.601953 0.055185 O\n0.601952 0.919859 0.444815 O\n0.398047 0.080140 0.555185 O\n0.844374 0.339700 0.242926 O\n0.117968 0.501573 0.601162 O\n0.339700 0.844374 0.257074 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.8274653658681372,
"density_atomic": 0.1205190596399378,
"volume": 531.036337249943,
"volume_molar": 4.996836830615606,
"formula_full": "H24 C12 N16 O12",
"formula_reduced": "H6C3N4O3",
"formula_anonymous": "A3B3C4D6",
"energy_above_hull": 4.75093646875,
"spacegroup": 15
},
{
"id": "jvasp-74482",
"created_at": "2022-09-04T14:35:51.438410Z",
"updated_at": "2022-09-04T14:35:51.438434Z",
"structure_string": "Be1 Ga1 Hg1\n1.0\n1.587024 -2.748806 0.000000\n1.587024 2.748806 -0.000000\n0.000000 -0.000000 5.862635\nBe Ga Hg\n1 1 1\ndirect\n0.000000 0.000000 0.995396 Be\n0.333331 0.666666 0.703981 Ga\n0.666666 0.333331 0.300624 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Hg"
],
"chemical_system": "Be-Ga-Hg",
"density": 9.067942366345475,
"density_atomic": 0.05865037834566393,
"volume": 51.15056517315361,
"volume_molar": 10.267863447542828,
"formula_full": "Be1 Ga1 Hg1",
"formula_reduced": "BeGaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0587610083333332,
"spacegroup": 156
},
{
"id": "jvasp-61436",
"created_at": "2022-09-04T14:35:51.441463Z",
"updated_at": "2022-09-04T14:35:51.441495Z",
"structure_string": "Li4 Au4 S4\n1.0\n0.000000 4.479932 5.600612\n4.550110 -0.000816 5.601266\n4.550110 4.480748 -0.000654\nLi Au S\n4 4 4\ndirect\n0.223872 0.723921 0.526074 Li\n0.526133 0.026075 0.223920 Li\n0.776128 0.276080 0.473925 Li\n0.473867 0.973926 0.776078 Li\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.499999 Au\n-0.000000 0.500000 -0.000000 Au\n0.500000 0.500000 -0.000000 Au\n0.834579 0.915405 0.834528 S\n0.415488 0.334529 0.415404 S\n0.165421 0.084596 0.165471 S\n0.584512 0.665472 0.584595 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"S"
],
"chemical_system": "Au-Li-S",
"density": 6.862494509211895,
"density_atomic": 0.05254031189551042,
"volume": 228.39605565846293,
"volume_molar": 11.461943301700485,
"formula_full": "Li4 Au4 S4",
"formula_reduced": "LiAuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6299991899999999,
"spacegroup": 70
},
{
"id": "jvasp-97928",
"created_at": "2022-09-04T14:35:51.443436Z",
"updated_at": "2022-09-04T14:35:51.443461Z",
"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.325294 0.000000 0.000000\n0.000000 8.852617 0.000000\n0.000000 0.000000 16.712575\nSr Pr B O\n12 8 16 48\ndirect\n0.695510 0.648779 0.675389 Sr\n0.680419 0.651649 0.427481 Sr\n0.180419 0.848351 0.427481 Sr\n0.819580 0.151649 0.927481 Sr\n0.038400 0.327491 0.721831 Sr\n0.961600 0.672509 0.221831 Sr\n0.461600 0.827491 0.221831 Sr\n0.195510 0.851221 0.675389 Sr\n0.804490 0.148779 0.175390 Sr\n0.319580 0.348351 0.927481 Sr\n0.304490 0.351221 0.175390 Sr\n0.538400 0.172509 0.721831 Sr\n0.819118 0.035142 0.554723 Pr\n0.968264 0.671483 0.883862 Pr\n0.468265 0.828517 0.883862 Pr\n0.531735 0.171483 0.383862 Pr\n0.319118 0.464858 0.554723 Pr\n0.680881 0.535142 0.054723 Pr\n0.031735 0.328517 0.383862 Pr\n0.180882 0.964858 0.054723 Pr\n0.159631 0.061276 0.261257 B\n0.840369 0.938725 0.761257 B\n0.340369 0.561276 0.761257 B\n0.659630 0.438725 0.261257 B\n0.171614 0.049279 0.845396 B\n0.828386 0.950721 0.345396 B\n0.671613 0.450721 0.845396 B\n0.227143 0.141870 0.552387 B\n0.328386 0.549279 0.345396 B\n0.272857 0.641870 0.052387 B\n0.727142 0.358130 0.552387 B\n0.513558 0.129603 0.049324 B\n0.486442 0.870397 0.549323 B\n0.986442 0.629604 0.549323 B\n0.013558 0.370397 0.049324 B\n0.772857 0.858130 0.052387 B\n0.209857 0.529125 0.819133 O\n0.419777 0.704405 0.760110 O\n0.580222 0.295595 0.260110 O\n0.709857 0.970875 0.819133 O\n0.290142 0.029125 0.319134 O\n0.790142 0.470875 0.319134 O\n0.858112 0.995594 0.052236 O\n0.271825 0.216840 0.621606 O\n0.641887 0.495594 0.552236 O\n0.358113 0.504407 0.052236 O\n0.741950 0.781914 0.980536 O\n0.241951 0.718086 0.980536 O\n0.808570 0.490844 0.792495 O\n0.919777 0.795595 0.760110 O\n0.141887 0.004406 0.552236 O\n0.614302 0.261651 0.046244 O\n0.080222 0.204405 0.260110 O\n0.611036 0.540925 0.202746 O\n0.728175 0.783160 0.121606 O\n0.228175 0.716840 0.121606 O\n0.771824 0.283160 0.621606 O\n0.459282 0.055945 0.978678 O\n0.540717 0.944056 0.478679 O\n0.040717 0.555945 0.478679 O\n0.959282 0.444056 0.978678 O\n0.451899 0.072371 0.121920 O\n0.548100 0.927629 0.621920 O\n0.048101 0.572371 0.621920 O\n0.951899 0.427629 0.121920 O\n0.114302 0.238349 0.046244 O\n0.885697 0.761652 0.546244 O\n0.388964 0.459076 0.702746 O\n0.385697 0.738349 0.546244 O\n0.113576 0.939839 0.900618 O\n0.613576 0.560162 0.900618 O\n0.386423 0.439839 0.400618 O\n0.102020 0.193218 0.848025 O\n0.258049 0.218086 0.480536 O\n0.397980 0.693219 0.348025 O\n0.602020 0.306782 0.848025 O\n0.691430 0.990844 0.292495 O\n0.308570 0.009156 0.792495 O\n0.758049 0.281914 0.480536 O\n0.191430 0.509156 0.292495 O\n0.888964 0.040925 0.702746 O\n0.111036 0.959076 0.202746 O\n0.886423 0.060162 0.400618 O\n0.897979 0.806782 0.348025 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr-Sr",
"density": 4.779854126160161,
"density_atomic": 0.0775066884805308,
"volume": 1083.7774345255414,
"volume_molar": 7.769833646695827,
"formula_full": "Sr12 Pr8 B16 O48",
"formula_reduced": "Sr3Pr2(BO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 2.777697664920635,
"spacegroup": 33
},
{
"id": "jvasp-88621",
"created_at": "2022-09-04T14:35:51.444605Z",
"updated_at": "2022-09-04T14:35:51.444628Z",
"structure_string": "B4 H12 O12\n1.0\n6.798783 -0.030587 -1.509461\n-3.562630 5.961464 -0.039685\n-0.208543 0.141605 6.168447\nB H O\n4 12 12\ndirect\n0.313654 0.548991 0.734496 B\n0.686345 0.451007 0.265504 B\n0.656564 0.221899 0.765297 B\n0.343435 0.778099 0.234703 B\n0.727614 0.761050 0.266446 H\n0.272385 0.238948 0.733554 H\n0.922606 0.179829 0.755948 H\n0.656507 0.049310 0.244579 H\n0.343492 0.950688 0.755421 H\n0.077393 0.820169 0.244052 H\n0.047068 0.591749 0.742365 H\n0.369682 0.177833 0.240175 H\n0.630317 0.822165 0.759825 H\n0.307117 0.469161 0.248396 H\n0.692882 0.530837 0.751604 H\n0.952931 0.408249 0.257634 H\n0.239322 0.902778 0.227489 O\n0.760677 0.097220 0.772510 O\n0.219711 0.549875 0.242483 O\n0.780288 0.450123 0.757517 O\n0.815937 0.680833 0.278383 O\n0.213686 0.676054 0.739591 O\n0.786313 0.323944 0.260409 O\n0.455181 0.346622 0.253926 O\n0.544818 0.653376 0.746073 O\n0.427593 0.118904 0.761674 O\n0.184062 0.319165 0.721617 O\n0.572406 0.881094 0.238325 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 1.6543180870245229,
"density_atomic": 0.1127840022972016,
"volume": 248.26215978943617,
"volume_molar": 5.339534541548559,
"formula_full": "B4 H12 O12",
"formula_reduced": "B(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.941401869047619,
"spacegroup": 2
}
]
}