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=-nsites&page=365",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=363",
"results": [
{
"id": "jvasp-48582",
"created_at": "2022-09-04T14:36:43.680321Z",
"updated_at": "2022-09-04T14:36:43.680335Z",
"structure_string": "Li6 Mn5 Sb1 O12\n1.0\n2.464886 -4.635380 -0.201494\n-5.248558 -0.122642 -0.201494\n-0.428128 -0.731782 -10.321360\nLi Mn Sb O\n6 5 1 12\ndirect\n0.593014 0.926438 0.288018 Li\n0.741434 0.741434 0.716375 Li\n0.073564 0.406992 0.711984 Li\n0.926438 0.593014 0.288018 Li\n0.258569 0.258569 0.283624 Li\n0.406992 0.073565 0.711984 Li\n0.164672 0.835328 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.835328 0.164672 0.500000 Mn\n0.333395 0.666605 -0.000000 Mn\n0.666605 0.333395 -0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.339391 0.009638 0.893245 O\n0.990362 0.660609 0.106754 O\n0.430234 0.755132 0.613417 O\n0.906994 0.906994 0.382894 O\n0.244868 0.569765 0.386583 O\n0.705068 0.705068 0.901424 O\n0.294932 0.294932 0.098575 O\n0.755132 0.430235 0.613417 O\n0.093005 0.093006 0.617105 O\n0.569765 0.244868 0.386583 O\n0.009637 0.339391 0.893245 O\n0.660609 0.990362 0.106754 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.14039229525494,
"density_atomic": 0.09497334207563343,
"volume": 252.70248972482452,
"volume_molar": 6.3408748480222785,
"formula_full": "Li6 Mn5 Sb1 O12",
"formula_reduced": "Li6Mn5SbO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.8929785127873564,
"spacegroup": 12
},
{
"id": "jvasp-29847",
"created_at": "2022-09-04T14:37:02.153356Z",
"updated_at": "2022-09-04T14:37:02.153367Z",
"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.0995955219965396,
"density_atomic": 0.08695007034116245,
"volume": 276.0204782564543,
"volume_molar": 6.925975719595363,
"formula_full": "Ti6 H4 O14",
"formula_reduced": "Ti3H2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 3.186217458333334,
"spacegroup": 8
},
{
"id": "jvasp-58988",
"created_at": "2022-09-04T14:37:02.248865Z",
"updated_at": "2022-09-04T14:37:02.248886Z",
"structure_string": "Na12 B4 P8\n1.0\n0.000000 6.968923 0.005450\n9.235015 0.000000 0.000000\n0.000000 -3.259183 -8.516702\nNa B P\n12 4 8\ndirect\n0.736906 0.285341 0.818028 Na\n0.757675 0.932285 0.023460 Na\n0.263094 0.714659 0.181972 Na\n0.736906 0.214659 0.318028 Na\n0.778271 0.524139 0.110395 Na\n0.221729 0.024140 0.389605 Na\n0.263094 0.785341 0.681971 Na\n0.778271 0.975860 0.610395 Na\n0.757675 0.567714 0.523460 Na\n0.242325 0.432286 0.476540 Na\n0.242325 0.067714 0.976540 Na\n0.221729 0.475860 0.889605 Na\n0.225490 0.327596 0.182036 B\n0.774510 0.827595 0.317964 B\n0.225490 0.172404 0.682036 B\n0.774510 0.672404 0.817964 B\n0.002923 0.722317 0.364336 P\n0.447267 0.439674 0.231730 P\n0.552733 0.939674 0.268270 P\n0.552733 0.560326 0.768270 P\n0.447267 0.060326 0.731729 P\n0.997077 0.277682 0.635664 P\n0.002923 0.777682 0.864336 P\n0.997077 0.222317 0.135664 P\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"B",
"P"
],
"chemical_system": "B-Na-P",
"density": 1.7179855302015155,
"density_atomic": 0.04379923359769685,
"volume": 547.9547934661126,
"volume_molar": 13.749420401540243,
"formula_full": "Na12 B4 P8",
"formula_reduced": "Na3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4644450972222225,
"spacegroup": 14
},
{
"id": "jvasp-104106",
"created_at": "2022-09-04T14:36:44.695048Z",
"updated_at": "2022-09-04T14:36:44.695078Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625778 0.041647 0.032401\n0.259193 5.425963 0.022036\n-0.020198 -0.005143 11.653192\nH C N O\n6 14 2 2\ndirect\n0.441697 0.384571 0.764101 H\n0.366337 0.477875 0.977367 H\n0.809244 0.183997 0.900983 H\n0.660697 0.356437 0.477485 H\n0.586104 0.449896 0.264246 H\n0.218079 0.650381 0.400965 H\n0.083951 0.822682 0.371407 C\n0.045486 0.877111 0.255300 C\n0.867512 0.101502 0.221090 C\n0.046624 0.881400 0.071686 C\n0.723278 0.280072 0.296145 C\n0.764922 0.225730 0.412475 C\n0.942355 0.000422 0.449813 C\n0.980916 0.953028 0.571715 C\n0.982166 0.957349 0.755309 C\n0.943423 0.011699 0.871405 C\n0.084936 0.833935 0.949769 C\n0.262365 0.608628 0.912382 C\n0.304366 0.554374 0.796043 C\n0.160187 0.732977 0.721044 C\n0.870585 0.091513 0.658149 N\n0.157113 0.742955 0.158077 N\n0.161880 0.728025 0.603004 O\n0.865767 0.106446 0.103042 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6973128211472799,
"density_atomic": 0.10474161585732109,
"volume": 229.13528499209687,
"volume_molar": 5.749520580438011,
"formula_full": "H6 C14 N2 O2",
"formula_reduced": "H3C7NO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 5.842256395833335,
"spacegroup": 4
},
{
"id": "jvasp-44055",
"created_at": "2022-09-04T14:36:44.328092Z",
"updated_at": "2022-09-04T14:36:44.328115Z",
"structure_string": "V6 O6 F12\n1.0\n2.535975 -4.392436 0.000000\n2.535974 4.392437 -0.000000\n0.000000 -0.000000 13.157726\nV O F\n6 6 12\ndirect\n0.688179 0.960426 0.499017 V\n0.658476 0.015220 -0.001534 V\n0.039573 0.727752 0.832350 V\n0.356743 0.341525 0.665134 V\n0.984781 0.643257 0.331801 V\n0.272247 0.311820 0.165683 V\n0.916598 0.910010 0.416407 O\n0.089990 0.006588 0.749740 O\n0.993413 0.083403 0.083073 O\n0.066028 0.404650 0.250504 O\n0.338621 0.933971 0.917172 O\n0.595350 0.661378 0.583838 O\n0.730754 0.731553 0.915610 F\n0.687930 0.401602 0.751376 F\n0.284335 0.607920 0.753205 F\n0.323584 0.715664 0.419872 F\n0.598399 0.286328 0.084709 F\n0.404628 0.061511 0.582083 F\n0.656883 0.595372 0.248750 F\n0.938490 0.343117 0.915416 F\n0.268447 -0.000799 0.248942 F\n0.713673 0.312071 0.418043 F\n0.392080 0.676415 0.086538 F\n0.000799 0.269246 0.582277 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.566733883663412,
"density_atomic": 0.08187475882665317,
"volume": 293.13063444636543,
"volume_molar": 7.355308090433822,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.91089956625,
"spacegroup": 144
},
{
"id": "jvasp-57905",
"created_at": "2022-09-04T14:36:41.393317Z",
"updated_at": "2022-09-04T14:36:41.393341Z",
"structure_string": "Ba2 Ti8 O14\n1.0\n3.250228 -5.629560 0.000000\n3.250228 5.629560 -0.000000\n0.000000 0.000000 10.444847\nBa Ti O\n2 8 14\ndirect\n0.333333 0.666667 0.534056 Ba\n0.666667 0.333333 0.034055 Ba\n0.626443 0.813222 0.193534 Ti\n0.813222 0.626443 0.693534 Ti\n0.813222 0.186779 0.693534 Ti\n0.186779 0.813222 0.193534 Ti\n0.186778 0.373558 0.193534 Ti\n0.373558 0.186778 0.693534 Ti\n0.000000 0.000000 0.441573 Ti\n0.000000 0.000000 0.941573 Ti\n0.510299 0.489702 0.229232 O\n0.489702 0.510299 0.729232 O\n0.489702 0.979402 0.729232 O\n0.979402 0.489702 0.229232 O\n0.000000 0.000000 0.255336 O\n0.000000 0.000000 0.755336 O\n0.851527 0.703054 0.518263 O\n0.148474 0.296946 0.018263 O\n0.148474 0.851527 0.018263 O\n0.851527 0.148474 0.518263 O\n0.020598 0.510299 0.729232 O\n0.703054 0.851527 0.018263 O\n0.296946 0.148474 0.518263 O\n0.510299 0.020598 0.229232 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 3.8299337072456106,
"density_atomic": 0.0627900579444188,
"volume": 382.226116453732,
"volume_molar": 9.59091448096886,
"formula_full": "Ba2 Ti8 O14",
"formula_reduced": "BaTi4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.0165644836111114,
"spacegroup": 186
},
{
"id": "jvasp-54300",
"created_at": "2022-09-04T14:36:44.955839Z",
"updated_at": "2022-09-04T14:36:44.955854Z",
"structure_string": "Ti8 As16\n1.0\n3.515652 0.000000 0.000000\n0.000000 8.985462 -0.000000\n0.000000 -0.000000 13.335951\nTi As\n8 16\ndirect\n0.000000 0.671927 0.993044 Ti\n0.000000 0.518400 0.247873 Ti\n0.000000 0.481600 0.752127 Ti\n0.500000 0.828073 0.493044 Ti\n0.500000 0.981600 0.747872 Ti\n0.500000 0.171927 0.506956 Ti\n0.500000 0.018400 0.252127 Ti\n0.000000 0.328073 0.006956 Ti\n0.500000 0.511568 0.100604 As\n0.500000 0.274325 0.698290 As\n0.000000 0.988431 0.600604 As\n0.000000 0.225675 0.198290 As\n0.000000 0.384778 0.557452 As\n0.000000 0.615222 0.442548 As\n0.000000 0.164691 0.838989 As\n0.000000 0.774325 0.801710 As\n0.500000 0.335309 0.338989 As\n0.500000 0.115222 0.057452 As\n0.000000 0.835309 0.161011 As\n0.000000 0.011569 0.399396 As\n0.500000 0.725675 0.301710 As\n0.500000 0.488431 0.899396 As\n0.500000 0.664691 0.661011 As\n0.500000 0.884778 0.942548 As\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 6.234446140542346,
"density_atomic": 0.056969309977875804,
"volume": 421.2794574714082,
"volume_molar": 10.570850800788559,
"formula_full": "Ti8 As16",
"formula_reduced": "TiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.295490611111111,
"spacegroup": 58
},
{
"id": "jvasp-103841",
"created_at": "2022-09-04T14:36:58.217911Z",
"updated_at": "2022-09-04T14:36:58.217931Z",
"structure_string": "H6 C10 S4 N2 O2\n1.0\n5.216730 -0.214504 1.491098\n1.043441 6.316443 1.130537\n-0.031054 -0.092352 9.068561\nH C S N O\n6 10 4 2 2\ndirect\n0.071065 0.814245 0.533363 H\n0.571065 0.314246 0.033363 H\n0.251227 0.000612 0.711081 H\n0.751226 0.500612 0.211081 H\n0.780708 0.316986 0.493486 H\n0.280708 0.816986 0.993487 H\n0.246433 0.671352 0.211338 C\n0.746433 0.171353 0.711337 C\n0.903164 0.393404 0.847667 C\n0.403164 0.893403 0.347667 C\n0.071073 0.567698 0.015005 C\n0.847223 0.484866 0.091113 C\n0.347224 0.984866 0.591113 C\n0.748940 0.384878 0.995154 C\n0.248940 0.884877 0.495154 C\n0.571073 0.067698 0.515004 C\n0.675289 0.016199 0.323485 S\n0.175290 0.516199 0.823485 S\n0.687153 0.977073 0.852575 S\n0.187153 0.477073 0.352575 S\n0.705094 0.193411 0.568538 N\n0.205094 0.693410 0.068538 N\n0.363910 0.843861 0.214945 O\n0.863911 0.343861 0.714945 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7314448284380335,
"density_atomic": 0.07958865963451138,
"volume": 301.55049865412076,
"volume_molar": 7.5665814547637735,
"formula_full": "H6 C10 S4 N2 O2",
"formula_reduced": "H3C5S2NO",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 5.007144729166667,
"spacegroup": 1
},
{
"id": "jvasp-47957",
"created_at": "2022-09-04T14:36:41.034986Z",
"updated_at": "2022-09-04T14:36:41.035005Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.833451 -0.057423 0.000000\n-0.057423 4.833451 0.000000\n0.000000 0.000000 12.353483\nFe O F\n8 2 14\ndirect\n0.973227 0.973227 0.000000 Fe\n0.000000 0.000000 0.250000 Fe\n0.026774 0.026774 0.500000 Fe\n0.000000 0.000000 0.750000 Fe\n0.504580 0.504580 0.115348 Fe\n0.495420 0.495420 0.615348 Fe\n0.504580 0.504580 0.884652 Fe\n0.495420 0.495420 0.384652 Fe\n0.303259 0.303259 0.500000 O\n0.696742 0.696742 0.000000 O\n0.800476 0.206970 0.371568 F\n0.793030 0.199525 0.128432 F\n0.696792 0.696792 0.747340 F\n0.724136 0.724136 0.500000 F\n0.696792 0.696792 0.252659 F\n0.303209 0.303209 0.752659 F\n0.206970 0.800476 0.371568 F\n0.275864 0.275864 0.000000 F\n0.199525 0.793030 0.871568 F\n0.206970 0.800476 0.628432 F\n0.800476 0.206970 0.628432 F\n0.199525 0.793030 0.128432 F\n0.303209 0.303209 0.247341 F\n0.793030 0.199525 0.871568 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.2855734613229,
"density_atomic": 0.08317034079004393,
"volume": 288.564406157549,
"volume_molar": 7.240731134194045,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3724047897916662,
"spacegroup": 63
},
{
"id": "jvasp-50511",
"created_at": "2022-09-04T14:36:44.909958Z",
"updated_at": "2022-09-04T14:36:44.909977Z",
"structure_string": "Li4 Ti6 O14\n1.0\n5.099563 2.460345 0.633098\n-5.099563 2.460345 -0.633098\n-1.382881 0.000000 10.397510\nLi Ti O\n4 6 14\ndirect\n0.532387 0.828260 0.814069 Li\n0.171742 0.467615 0.314069 Li\n0.828260 0.532387 0.685931 Li\n0.467615 0.171742 0.185931 Li\n0.000001 0.500000 -0.000000 Ti\n0.120230 0.241224 0.604790 Ti\n0.241224 0.120230 0.895210 Ti\n0.758778 0.879772 0.104790 Ti\n0.879772 0.758778 0.395210 Ti\n0.500000 0.000001 0.500000 Ti\n0.082590 0.873849 0.073252 O\n0.663713 0.401838 0.480352 O\n0.126153 0.917412 0.573252 O\n0.619675 0.619675 0.250000 O\n0.598164 0.336289 0.980352 O\n0.401838 0.663713 0.019648 O\n0.245690 0.873596 0.336900 O\n0.873849 0.082589 0.426748 O\n0.336289 0.598164 0.519648 O\n0.917413 0.126153 0.926748 O\n0.754312 0.126406 0.663100 O\n0.126406 0.754312 0.836900 O\n0.380327 0.380327 0.750000 O\n0.873596 0.245690 0.163100 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.374449829213702,
"density_atomic": 0.09049206928087339,
"volume": 265.2166116956361,
"volume_molar": 6.654882364672431,
"formula_full": "Li4 Ti6 O14",
"formula_reduced": "Li2Ti3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.7750241250000003,
"spacegroup": 15
},
{
"id": "jvasp-19025",
"created_at": "2022-09-04T14:36:50.821919Z",
"updated_at": "2022-09-04T14:36:50.821946Z",
"structure_string": "P8 Pd8 Se8\n1.0\n5.899200 -0.000000 0.000000\n0.000000 5.936904 0.000000\n0.000000 0.000000 13.896693\nP Pd Se\n8 8 8\ndirect\n0.623825 0.287053 0.078376 P\n0.623825 0.212946 0.921624 P\n0.876175 0.787053 0.421624 P\n0.876175 0.712946 0.578376 P\n0.376175 0.712946 0.921624 P\n0.376175 0.787053 0.078376 P\n0.123825 0.212946 0.578376 P\n0.123825 0.287053 0.421624 P\n0.259293 0.154984 0.108674 Pd\n0.259293 0.345016 0.891326 Pd\n0.240707 0.654983 0.391326 Pd\n0.240707 0.845016 0.608674 Pd\n0.740707 0.845016 0.891326 Pd\n0.740707 0.654983 0.108674 Pd\n0.759294 0.345016 0.608674 Pd\n0.759294 0.154984 0.391326 Pd\n0.366097 0.040309 0.343517 Se\n0.366097 0.459691 0.656483 Se\n0.133903 0.540309 0.156483 Se\n0.133903 0.959690 0.843517 Se\n0.633903 0.959690 0.656483 Se\n0.633903 0.540309 0.343517 Se\n0.866097 0.459691 0.843517 Se\n0.866097 0.040309 0.156483 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"P",
"Pd",
"Se"
],
"chemical_system": "P-Pd-Se",
"density": 5.9052586657724895,
"density_atomic": 0.04931132039448608,
"volume": 486.7036576591781,
"volume_molar": 12.212491395126762,
"formula_full": "P8 Pd8 Se8",
"formula_reduced": "PPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.663854855555556,
"spacegroup": 60
},
{
"id": "jvasp-104121",
"created_at": "2022-09-04T14:36:49.738506Z",
"updated_at": "2022-09-04T14:36:49.738522Z",
"structure_string": "H8 C14 S2\n1.0\n4.934508 -0.054708 -0.026324\n-2.248577 5.085173 -0.037064\n0.056069 0.094158 11.008924\nH C S\n8 14 2\ndirect\n0.754272 0.789041 0.067805 H\n0.754227 0.789021 0.567789 H\n0.307711 0.313975 0.289672 H\n0.307742 0.313986 0.789683 H\n0.307769 0.314014 0.067814 H\n0.307780 0.314033 0.567823 H\n0.754207 0.789002 0.289370 H\n0.754187 0.788968 0.789352 H\n0.661839 0.909484 0.741403 C\n0.661857 0.909508 0.241413 C\n0.661863 0.909509 0.615835 C\n0.661889 0.909525 0.115844 C\n0.401598 0.930554 0.428596 C\n0.401622 0.930550 0.928597 C\n0.514965 0.038978 0.806034 C\n0.416813 0.206030 0.742353 C\n0.514997 0.039015 0.551282 C\n0.515018 0.039014 0.051284 C\n0.416795 0.206025 0.242348 C\n0.416829 0.206057 0.615087 C\n0.416825 0.206050 0.115083 C\n0.514955 0.038986 0.306035 C\n0.125427 0.633629 0.928437 S\n0.125398 0.633634 0.428432 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4516869268386303,
"density_atomic": 0.0872977507265376,
"volume": 274.9211726563334,
"volume_molar": 6.898391665169595,
"formula_full": "H8 C14 S2",
"formula_reduced": "H4C7S",
"formula_anonymous": "AB4C7",
"energy_above_hull": 5.5482225000000005,
"spacegroup": 6
}
]
}