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=4065",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4063",
"results": [
{
"id": "jvasp-21243",
"created_at": "2022-09-04T14:36:52.252981Z",
"updated_at": "2022-09-04T14:36:52.253009Z",
"structure_string": "Na4 Ta4 O12\n1.0\n5.526206 -0.025920 -0.000000\n-0.036351 5.526148 0.000000\n-0.000000 0.000000 7.869904\nNa Ta O\n4 4 12\ndirect\n0.503309 0.496692 0.250000 Na\n0.496692 0.503309 0.750000 Na\n0.011631 0.988370 0.250000 Na\n0.988370 0.011631 0.750000 Na\n0.000000 0.500000 0.500000 Ta\n0.500000 -0.000000 0.500000 Ta\n0.500000 -0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.294895 0.294895 0.500000 O\n0.705106 0.705106 0.000000 O\n0.964921 0.451136 0.750000 O\n0.207186 0.792814 0.959119 O\n0.792815 0.207186 0.459120 O\n0.792815 0.207186 0.040880 O\n0.207186 0.792814 0.540880 O\n0.548865 0.035080 0.750000 O\n0.451136 0.964920 0.250000 O\n0.035080 0.548865 0.250000 O\n0.294895 0.294895 0.000000 O\n0.705106 0.705106 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 6.9629526474634,
"density_atomic": 0.08321936136235851,
"volume": 240.32868881214858,
"volume_molar": 7.236465963464981,
"formula_full": "Na4 Ta4 O12",
"formula_reduced": "NaTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2465917399999995,
"spacegroup": 63
},
{
"id": "jvasp-55519",
"created_at": "2022-09-04T14:37:00.386708Z",
"updated_at": "2022-09-04T14:37:00.386735Z",
"structure_string": "Pb8 O12\n1.0\n0.000000 7.645732 -0.014315\n5.739976 0.000000 0.000000\n0.000000 -3.069208 -7.256972\nPb O\n8 12\ndirect\n0.091354 0.754229 0.116987 Pb\n0.908646 0.254229 0.383013 Pb\n0.908646 0.245772 0.883013 Pb\n0.091354 0.745772 0.616987 Pb\n0.612584 0.741365 0.140539 Pb\n0.387416 0.241364 0.359461 Pb\n0.387416 0.258636 0.859461 Pb\n0.612583 0.758637 0.640539 Pb\n0.073009 0.937204 0.361608 O\n0.926990 0.437203 0.138393 O\n0.809024 0.593883 0.450537 O\n0.190975 0.093883 0.049464 O\n0.190975 0.406117 0.549464 O\n0.627559 0.128178 0.229757 O\n0.372441 0.871823 0.770244 O\n0.627558 0.371822 0.729757 O\n0.073009 0.562797 0.861608 O\n0.372441 0.628178 0.270244 O\n0.809024 0.906118 0.950536 O\n0.926990 0.062797 0.638392 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.636001712673739,
"density_atomic": 0.06274825323430762,
"volume": 318.73397216840766,
"volume_molar": 9.597304226960366,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4237484279999997,
"spacegroup": 14
},
{
"id": "jvasp-55332",
"created_at": "2022-09-04T14:36:53.437269Z",
"updated_at": "2022-09-04T14:36:53.437304Z",
"structure_string": "Nd1 Fe3 B4 O12\n1.0\n5.792410 -0.038878 -1.457876\n-1.861238 5.485373 -1.457876\n-0.028062 -0.038878 5.972991\nNd Fe B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.561135 0.438864 Fe\n0.438865 -0.000000 0.561135 Fe\n0.561135 0.438865 -0.000001 Fe\n0.063264 0.499999 0.936735 B\n0.500000 0.499999 0.499999 B\n0.936736 0.063264 0.499999 B\n0.500000 0.936735 0.063263 B\n0.774771 0.030361 0.624563 O\n0.624563 0.774770 0.030360 O\n0.030361 0.624563 0.774770 O\n0.352277 0.647722 0.499999 O\n0.647722 0.499999 0.352276 O\n0.085260 0.914739 0.499999 O\n0.500000 0.085260 0.914739 O\n0.914740 0.499999 0.085259 O\n0.969638 0.225229 0.375436 O\n0.375436 0.969638 0.225228 O\n0.225229 0.375436 0.969638 O\n0.500000 0.352277 0.647722 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Nd-O",
"density": 4.813890691444777,
"density_atomic": 0.10599340403168066,
"volume": 188.69098679029258,
"volume_molar": 5.681618412972213,
"formula_full": "Nd1 Fe3 B4 O12",
"formula_reduced": "NdFe3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.6055280166666654,
"spacegroup": 155
},
{
"id": "jvasp-101931",
"created_at": "2022-09-04T14:37:00.967049Z",
"updated_at": "2022-09-04T14:37:00.967081Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3545740822743895,
"density_atomic": 0.11222407177081697,
"volume": 178.21488460019367,
"volume_molar": 5.366175602947614,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.720267305,
"spacegroup": 1
},
{
"id": "jvasp-52229",
"created_at": "2022-09-04T14:37:00.953980Z",
"updated_at": "2022-09-04T14:37:00.953991Z",
"structure_string": "Li6 Cu2 F12\n1.0\n5.893511 0.002436 0.002494\n-0.129821 5.892082 0.002494\n-0.129821 -0.132767 5.890587\nLi Cu F\n6 2 12\ndirect\n0.066756 0.249200 0.556501 Li\n0.249200 0.556501 0.066755 Li\n0.443499 0.933244 0.750799 Li\n0.556501 0.066756 0.249200 Li\n0.750800 0.443499 0.933244 Li\n0.933245 0.750800 0.443498 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.806630 0.452669 0.599448 F\n0.694843 0.076607 0.917740 F\n0.599448 0.806629 0.452668 F\n0.547331 0.400552 0.193370 F\n0.452669 0.599448 0.806629 F\n0.082261 0.305157 0.923393 F\n0.305158 0.923393 0.082260 F\n0.193371 0.547331 0.400552 F\n0.917740 0.694843 0.076606 F\n0.076608 0.917739 0.694842 F\n0.400552 0.193370 0.547331 F\n0.923393 0.082261 0.305157 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.220462359851523,
"density_atomic": 0.0977724059095744,
"volume": 204.55669280039157,
"volume_molar": 6.159345987220183,
"formula_full": "Li6 Cu2 F12",
"formula_reduced": "Li3CuF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0844670847499999,
"spacegroup": 148
},
{
"id": "jvasp-55758",
"created_at": "2022-09-04T14:36:52.001697Z",
"updated_at": "2022-09-04T14:36:52.001715Z",
"structure_string": "Co4 Se4 O12\n1.0\n5.062615 -0.000000 0.000000\n-0.000000 5.919114 0.000000\n0.000000 0.000000 7.525417\nCo Se O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.017738 0.983110 0.750000 Se\n0.517737 0.516888 0.250000 Se\n0.482262 0.483111 0.750000 Se\n0.982261 0.016889 0.250000 Se\n0.826141 0.433426 0.750000 O\n0.326142 0.066574 0.250000 O\n0.863377 0.186143 0.073565 O\n0.363377 0.313856 0.926435 O\n0.636622 0.686143 0.426435 O\n0.363377 0.313856 0.573565 O\n0.136622 0.813856 0.926435 O\n0.636622 0.686143 0.073565 O\n0.673857 0.933426 0.750000 O\n0.863377 0.186143 0.426435 O\n0.136622 0.813856 0.573565 O\n0.173858 0.566573 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se",
"density": 5.4752783077560085,
"density_atomic": 0.08868860411983033,
"volume": 225.50811570985252,
"volume_molar": 6.790208076635496,
"formula_full": "Co4 Se4 O12",
"formula_reduced": "CoSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.372084953333333,
"spacegroup": 62
},
{
"id": "jvasp-52903",
"created_at": "2022-09-04T14:37:01.097614Z",
"updated_at": "2022-09-04T14:37:01.097638Z",
"structure_string": "Be4 H8 O8\n1.0\n4.487474 0.000000 0.000000\n0.000000 4.628182 0.000000\n0.000000 0.000000 7.014423\nBe H O\n4 8 8\ndirect\n0.960660 0.196339 0.873383 Be\n0.539338 0.803661 0.373383 Be\n0.460661 0.303661 0.126617 Be\n0.039339 0.696339 0.626617 Be\n0.364046 0.417961 0.785796 H\n0.135953 0.582039 0.285796 H\n0.635953 0.917961 0.714203 H\n0.864046 0.082039 0.214204 H\n0.227870 0.899221 0.075021 H\n0.772129 0.399221 0.424979 H\n0.727869 0.600778 0.924979 H\n0.272130 0.100778 0.575021 H\n0.336903 0.598423 0.227372 O\n0.821393 0.605364 0.447352 O\n0.678606 0.394635 0.947352 O\n0.321394 0.894635 0.552647 O\n0.178606 0.105365 0.052647 O\n0.836903 0.901576 0.772628 O\n0.663096 0.098423 0.272628 O\n0.163096 0.401576 0.727371 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"H",
"O"
],
"chemical_system": "Be-H-O",
"density": 1.96175349938497,
"density_atomic": 0.13728581593751266,
"volume": 145.68147381739166,
"volume_molar": 4.386571707262936,
"formula_full": "Be4 H8 O8",
"formula_reduced": "Be(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.15010262,
"spacegroup": 19
},
{
"id": "jvasp-47056",
"created_at": "2022-09-04T14:36:52.471173Z",
"updated_at": "2022-09-04T14:36:52.471194Z",
"structure_string": "Co4 Sn4 O12\n1.0\n5.354139 0.000057 0.000173\n-0.000075 5.411343 0.000120\n-0.000146 0.000046 7.791577\nCo Sn O\n4 4 12\ndirect\n0.025159 0.985694 0.750025 Co\n0.525154 0.514311 0.750000 Co\n0.474818 0.485721 0.250016 Co\n0.974826 0.014280 0.250006 Co\n0.499991 0.000014 0.000007 Sn\n0.500002 0.000004 0.499999 Sn\n0.999985 0.499998 0.000006 Sn\n-0.000001 0.499985 0.500002 Sn\n0.165003 0.837043 0.069204 O\n0.665040 0.662977 0.430783 O\n0.665025 0.662988 0.069237 O\n0.902367 0.628722 0.750000 O\n0.097616 0.371254 0.250001 O\n0.835017 0.162929 0.569202 O\n0.334996 0.337037 0.569210 O\n0.834965 0.162982 0.930774 O\n0.165063 0.836991 0.430746 O\n0.597618 0.128749 0.250001 O\n0.334972 0.337050 0.930784 O\n0.402370 0.871281 0.750001 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 6.63907833717252,
"density_atomic": 0.08859514513490842,
"volume": 225.74600413538423,
"volume_molar": 6.79737106455413,
"formula_full": "Co4 Sn4 O12",
"formula_reduced": "CoSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.07238462,
"spacegroup": 62
},
{
"id": "jvasp-45389",
"created_at": "2022-09-04T14:37:00.990812Z",
"updated_at": "2022-09-04T14:37:00.990832Z",
"structure_string": "Rb12 Al2 Sb6\n1.0\n0.000000 10.616288 0.011612\n6.230563 0.000000 0.000000\n0.000000 -2.308118 -12.161553\nRb Al Sb\n12 2 6\ndirect\n0.120172 0.750000 0.672991 Rb\n0.904927 0.250000 0.633994 Rb\n0.095073 0.750000 0.366006 Rb\n0.755047 0.750000 0.784560 Rb\n0.541051 0.250000 0.077636 Rb\n0.458949 0.750000 0.922364 Rb\n0.244953 0.250000 0.215440 Rb\n0.447732 0.750000 0.549158 Rb\n0.867699 0.250000 0.980646 Rb\n0.132301 0.750000 0.019354 Rb\n0.879828 0.250000 0.327009 Rb\n0.552268 0.250000 0.450842 Rb\n0.676581 0.750000 0.280234 Al\n0.323419 0.250000 0.719765 Al\n0.821612 0.750000 0.122762 Sb\n0.424640 0.750000 0.228130 Sb\n0.575360 0.250000 0.771870 Sb\n0.788804 0.750000 0.489772 Sb\n0.211196 0.250000 0.510228 Sb\n0.178388 0.250000 0.877238 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Al",
"Sb"
],
"chemical_system": "Al-Rb-Sb",
"density": 3.7373313975589246,
"density_atomic": 0.024867443474444844,
"volume": 804.2644198851041,
"volume_molar": 24.2169677240392,
"formula_full": "Rb12 Al2 Sb6",
"formula_reduced": "Rb6AlSb3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0580401100000001,
"spacegroup": 11
},
{
"id": "jvasp-21300",
"created_at": "2022-09-04T14:36:47.372009Z",
"updated_at": "2022-09-04T14:36:47.372036Z",
"structure_string": "Mg2 Si4 Sn2 O12\n1.0\n5.348505 0.140080 1.253231\n1.467332 7.065121 0.703999\n0.118031 0.027594 7.249132\nMg Si Sn O\n2 4 2 12\ndirect\n0.750001 0.296252 0.703747 Mg\n0.250001 0.703748 0.296253 Mg\n0.217886 0.173398 0.364228 Si\n0.282113 0.635771 0.826601 Si\n0.717886 0.364228 0.173398 Si\n0.782115 0.826601 0.635771 Si\n0.249999 0.148891 0.851109 Sn\n0.749999 0.851110 0.148890 Sn\n0.672670 0.052085 0.669652 O\n0.827331 0.330346 0.947914 O\n0.619617 0.588083 0.227296 O\n0.880383 0.772705 0.411917 O\n0.380382 0.411915 0.772704 O\n0.048188 0.739931 0.717249 O\n0.951812 0.260068 0.282750 O\n0.548189 0.717249 0.739932 O\n0.327330 0.947914 0.330347 O\n0.451812 0.282752 0.260067 O\n0.119618 0.227294 0.588083 O\n0.172670 0.669654 0.052086 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Si",
"Sn",
"O"
],
"chemical_system": "Mg-O-Si-Sn",
"density": 3.612733195248184,
"density_atomic": 0.07370489513476303,
"volume": 271.35239746873975,
"volume_molar": 8.170611665601093,
"formula_full": "Mg2 Si4 Sn2 O12",
"formula_reduced": "MgSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.171876895,
"spacegroup": 15
},
{
"id": "jvasp-88640",
"created_at": "2022-09-04T14:36:09.403522Z",
"updated_at": "2022-09-04T14:36:09.403541Z",
"structure_string": "Tm1 Al3 B4 O12\n1.0\n5.714924 -0.008884 -1.469422\n-1.892944 5.392328 -1.469422\n-0.006307 -0.008884 5.900807\nTm Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.444721 0.555280 0.000000 Al\n0.000000 0.444721 0.555280 Al\n0.555279 0.000001 0.444721 Al\n0.055908 0.944093 0.500001 B\n0.500000 0.500001 0.500001 B\n0.500000 0.055909 0.944093 B\n0.944092 0.500001 0.055908 B\n0.091997 0.500001 0.908004 O\n0.908002 0.091998 0.500001 O\n0.500000 0.648543 0.351459 O\n0.351458 0.500001 0.648543 O\n0.631179 0.029202 0.781893 O\n0.781892 0.631181 0.029201 O\n0.029201 0.781893 0.631181 O\n0.970799 0.368821 0.218109 O\n0.218109 0.970800 0.368821 O\n0.368820 0.218109 0.970800 O\n0.500001 0.908003 0.091998 O\n0.648542 0.351459 0.500001 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tm",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Tm",
"density": 4.435987744763141,
"density_atomic": 0.11013515622703912,
"volume": 181.59505724739535,
"volume_molar": 5.467954980320364,
"formula_full": "Tm1 Al3 B4 O12",
"formula_reduced": "TmAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.2124087491666664,
"spacegroup": 155
},
{
"id": "jvasp-12138",
"created_at": "2022-09-04T14:37:00.228565Z",
"updated_at": "2022-09-04T14:37:00.228593Z",
"structure_string": "Cu2 Bi2 P4 Se12\n1.0\n6.613762 -0.000000 -0.000000\n-3.306880 5.727685 0.000000\n-0.000000 0.000000 13.294790\nCu Bi P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.333333 0.666668 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n0.666667 0.333333 0.836424 P\n0.666667 0.333333 0.663576 P\n0.333333 0.666668 0.163576 P\n0.333333 0.666668 0.336424 P\n0.296816 0.325691 0.118270 Se\n0.971123 0.674310 0.618270 Se\n0.028877 0.703185 0.118270 Se\n0.703185 0.674310 0.881730 Se\n0.325691 0.028877 0.881730 Se\n0.703184 0.028877 0.618270 Se\n0.971123 0.296816 0.881730 Se\n0.028877 0.325691 0.381730 Se\n0.325691 0.296816 0.618270 Se\n0.674309 0.971124 0.118270 Se\n0.296816 0.971124 0.381730 Se\n0.674309 0.703185 0.381730 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"P",
"Se"
],
"chemical_system": "Bi-Cu-P-Se",
"density": 5.329751966482219,
"density_atomic": 0.03971191460299876,
"volume": 503.62719098136205,
"volume_molar": 15.164569173265823,
"formula_full": "Cu2 Bi2 P4 Se12",
"formula_reduced": "CuBi(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7556275949999998,
"spacegroup": 163
}
]
}