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=704",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=702",
"results": [
{
"id": "jvasp-9761",
"created_at": "2022-09-04T14:38:07.114961Z",
"updated_at": "2022-09-04T14:38:07.114982Z",
"structure_string": "Ba2 Nd4 Co2 S10\n1.0\n7.022291 -0.000000 -3.503154\n-1.747590 6.801360 -3.503154\n-0.032050 -0.041326 8.725642\nBa Nd Co S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750000 0.750000 0.500000 Ba\n0.338102 0.161897 0.000000 Nd\n0.161897 0.661897 0.000000 Nd\n0.661897 0.838103 0.000001 Nd\n0.838102 0.338103 0.000000 Nd\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.500000 0.500000 0.000000 S\n0.489634 0.989634 0.272134 S\n0.989634 0.782499 0.272134 S\n0.282499 0.489634 0.272134 S\n0.010365 0.217500 0.727866 S\n0.717501 0.510365 0.727866 S\n0.510365 0.010365 0.727866 S\n0.217501 0.717500 0.727866 S\n0.782499 0.282499 0.272134 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"S"
],
"chemical_system": "Ba-Co-Nd-S",
"density": 5.1657986898655235,
"density_atomic": 0.04340348351784182,
"volume": 414.7132566583224,
"volume_molar": 13.874786703524583,
"formula_full": "Ba2 Nd4 Co2 S10",
"formula_reduced": "BaNd2CoS5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.874333318888889,
"spacegroup": 140
},
{
"id": "jvasp-47586",
"created_at": "2022-09-04T14:38:12.558879Z",
"updated_at": "2022-09-04T14:38:12.558903Z",
"structure_string": "Na8 Ti2 O8\n1.0\n4.406063 4.326740 0.000000\n-4.406063 4.326740 0.000000\n0.000000 -0.000000 6.710846\nNa Ti O\n8 2 8\ndirect\n0.162692 0.837308 0.500000 Na\n0.162692 0.837308 0.000000 Na\n0.559132 0.865112 0.250000 Na\n0.134888 0.440868 0.750000 Na\n0.440868 0.134888 0.750000 Na\n0.865112 0.559132 0.250000 Na\n0.837308 0.162692 0.000000 Na\n0.837308 0.162692 0.500000 Na\n0.330116 0.330116 0.250000 Ti\n0.669883 0.669883 0.750000 Ti\n0.264108 0.619686 0.250000 O\n0.380314 0.735892 0.750000 O\n0.793243 0.793243 0.976504 O\n0.206757 0.206757 0.476504 O\n0.206757 0.206757 0.023496 O\n0.793243 0.793243 0.523496 O\n0.735892 0.380314 0.750000 O\n0.619686 0.264108 0.250000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 2.645543797590949,
"density_atomic": 0.07034832081244032,
"volume": 255.86964681063006,
"volume_molar": 8.560461273917218,
"formula_full": "Na8 Ti2 O8",
"formula_reduced": "Na4TiO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.1471475925925925,
"spacegroup": 63
},
{
"id": "jvasp-42913",
"created_at": "2022-09-04T14:38:07.184957Z",
"updated_at": "2022-09-04T14:38:07.184984Z",
"structure_string": "Co6 O2 F10\n1.0\n5.536239 -0.002975 -0.012860\n1.868053 5.260226 -0.013015\n2.305696 1.585843 6.802287\nCo O F\n6 2 10\ndirect\n0.499999 0.500001 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.873921 0.800576 0.162521 Co\n0.826854 0.816765 0.676580 Co\n0.173145 0.183236 0.323421 Co\n0.126079 0.199425 0.837480 Co\n0.164513 0.518981 0.159251 O\n0.835486 0.481020 0.840750 O\n0.072634 0.065397 0.134467 F\n0.391081 0.408865 0.800859 F\n0.743114 0.723887 0.464606 F\n0.927366 0.934604 0.865534 F\n0.199519 0.810491 0.496732 F\n0.608919 0.591136 0.199142 F\n0.559999 0.113846 0.166777 F\n0.800481 0.189509 0.503269 F\n0.256885 0.276114 0.535395 F\n0.440001 0.886155 0.833224 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.818263088784071,
"density_atomic": 0.09074165836914999,
"volume": 198.36534094157102,
"volume_molar": 6.636577805864065,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.3292975125000002,
"spacegroup": 2
},
{
"id": "jvasp-40199",
"created_at": "2022-09-04T14:38:19.036186Z",
"updated_at": "2022-09-04T14:38:19.036209Z",
"structure_string": "Ca6 Sn2 S10\n1.0\n7.618995 0.000000 0.000000\n-0.000000 -7.618995 -0.000000\n-3.809497 3.809497 -7.131599\nCa Sn S\n6 2 10\ndirect\n0.749999 0.749999 0.500000 Ca\n0.250000 0.250000 0.500000 Ca\n0.337975 0.162025 0.000000 Ca\n0.662025 0.837974 0.000000 Ca\n0.162025 0.662025 0.000000 Ca\n0.837974 0.337975 0.000000 Ca\n0.250000 0.749999 0.500000 Sn\n0.749999 0.250000 0.500000 Sn\n0.024079 0.190096 0.714175 S\n0.690095 0.524079 0.714175 S\n0.809904 0.309904 0.285825 S\n0.475920 0.975920 0.285825 S\n0.500000 0.500000 0.000000 S\n0.309904 0.475920 0.285825 S\n0.000000 0.000000 0.000000 S\n0.524079 0.024079 0.714175 S\n0.975920 0.809904 0.285825 S\n0.190096 0.690095 0.714175 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2030402243682397,
"density_atomic": 0.043480067793838485,
"volume": 413.98279518208943,
"volume_molar": 13.850348137804401,
"formula_full": "Ca6 Sn2 S10",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.964319217777778,
"spacegroup": 140
},
{
"id": "jvasp-46690",
"created_at": "2022-09-04T14:38:07.223127Z",
"updated_at": "2022-09-04T14:38:07.223148Z",
"structure_string": "V6 O6 F6\n1.0\n5.920527 0.005686 0.008309\n-1.050862 5.826426 0.005899\n-1.052300 -1.258071 5.688478\nV O F\n6 6 6\ndirect\n0.397176 0.853293 0.664936 V\n0.146708 0.335072 0.602804 V\n0.335078 0.602820 0.146709 V\n0.664923 0.397182 0.853291 V\n0.853293 0.664930 0.397196 V\n0.602825 0.146708 0.335064 V\n0.822469 0.425617 0.588051 O\n0.574370 0.411945 0.177536 O\n0.411945 0.177533 0.574383 O\n0.588056 0.822469 0.425617 O\n0.425631 0.588057 0.822464 O\n0.177533 0.574384 0.411949 O\n0.932887 0.100592 0.329491 F\n0.899415 0.670505 0.067122 F\n0.670510 0.067123 0.899424 F\n0.329491 0.932879 0.100576 F\n0.100587 0.329496 0.932879 F\n0.067115 0.899409 0.670510 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.3603780596437005,
"density_atomic": 0.09166519673758952,
"volume": 196.36678522088053,
"volume_molar": 6.569713451049057,
"formula_full": "V6 O6 F6",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0959526608333334,
"spacegroup": 148
},
{
"id": "jvasp-42923",
"created_at": "2022-09-04T14:38:07.381445Z",
"updated_at": "2022-09-04T14:38:07.381475Z",
"structure_string": "V6 O8 F4\n1.0\n4.633074 -0.002343 -0.020676\n-0.002343 4.633074 -0.020676\n-0.043101 -0.043101 8.933290\nV O F\n6 8 4\ndirect\n0.987627 0.958461 0.013154 V\n0.041539 0.012373 0.320178 V\n0.013841 0.986159 0.666667 V\n0.513317 0.486683 0.166667 V\n0.490904 0.540181 0.820796 V\n0.459820 0.509097 0.512536 V\n0.805953 0.194047 0.166667 O\n0.696748 0.710022 0.665646 O\n0.693483 0.685184 0.996903 O\n0.289978 0.303252 0.667686 O\n0.190518 0.808470 0.835770 O\n0.191530 0.809482 0.497562 O\n0.212410 0.787590 0.166667 O\n0.314816 0.306517 0.336432 O\n0.791972 0.197095 0.836952 F\n0.296342 0.293702 0.995921 F\n0.706298 0.703658 0.337412 F\n0.802905 0.208028 0.496380 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4134646985026675,
"density_atomic": 0.09387315656642772,
"volume": 191.74810625721966,
"volume_molar": 6.4151893685800765,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.647271907222222,
"spacegroup": 5
},
{
"id": "jvasp-12581",
"created_at": "2022-09-04T14:38:03.885752Z",
"updated_at": "2022-09-04T14:38:03.885784Z",
"structure_string": "Mg2 H4 Se2 O10\n1.0\n5.140130 -0.070889 -1.584292\n-1.308487 4.971299 -1.584292\n-0.003978 -0.005088 7.669200\nMg H Se O\n2 4 2 10\ndirect\n-0.000000 -0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.631904 0.032486 0.201921 H\n0.467513 0.868096 0.298079 H\n0.368095 0.967514 0.798079 H\n0.532486 0.131904 0.701921 H\n0.914454 0.585545 0.750000 Se\n0.085545 0.414455 0.250000 Se\n0.186176 0.287997 0.422901 O\n0.813489 0.246757 0.651297 O\n0.746757 0.313489 0.151297 O\n0.186510 0.753242 0.348703 O\n0.377392 0.122607 0.750000 O\n0.622607 0.877392 0.250000 O\n0.787997 0.686176 0.922901 O\n0.813823 0.712002 0.577099 O\n0.212002 0.313824 0.077099 O\n0.253242 0.686510 0.848703 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mg",
"H",
"Se",
"O"
],
"chemical_system": "H-Mg-O-Se",
"density": 3.1526393952422147,
"density_atomic": 0.09222403877466555,
"volume": 195.1768783839545,
"volume_molar": 6.529903526253196,
"formula_full": "Mg2 H4 Se2 O10",
"formula_reduced": "MgH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.178609990740741,
"spacegroup": 15
},
{
"id": "jvasp-30455",
"created_at": "2022-09-04T14:38:07.291547Z",
"updated_at": "2022-09-04T14:38:07.291561Z",
"structure_string": "Co4 Sb2 O12\n1.0\n5.132038 -0.006038 -0.000000\n2.547782 4.427861 0.000000\n0.000000 -0.000000 8.889264\nCo Sb O\n4 2 12\ndirect\n0.333563 0.333218 0.000000 Co\n0.333563 0.833218 0.500000 Co\n0.666437 0.166782 0.500000 Co\n0.666437 0.666782 0.000000 Co\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.648685 0.351944 0.893417 O\n0.648685 0.999370 0.106582 O\n0.351315 0.648055 0.106582 O\n0.351315 0.500629 0.606582 O\n0.351315 0.148055 0.393418 O\n-0.000000 0.646936 0.891605 O\n0.351315 0.000630 0.893417 O\n0.648685 0.499370 0.393418 O\n-0.000000 0.353064 0.108395 O\n-0.000000 0.146936 0.608395 O\n-0.000000 0.853064 0.391605 O\n0.648685 0.851944 0.606582 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.514256748263573,
"density_atomic": 0.08904898056138881,
"volume": 202.1359468297463,
"volume_molar": 6.762728469247823,
"formula_full": "Co4 Sb2 O12",
"formula_reduced": "Co2SbO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.847566544444445,
"spacegroup": 64
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"Te",
"I"
],
"chemical_system": "Al-I-Te",
"density": 4.282996376835354,
"density_atomic": 0.022258357287127297,
"volume": 808.6850151520374,
"volume_molar": 27.055638843046125,
"formula_full": "Al2 Te2 I14",
"formula_reduced": "AlTeI7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0072082768518518,
"spacegroup": 7
},
{
"id": "jvasp-10219",
"created_at": "2022-09-04T14:38:12.383079Z",
"updated_at": "2022-09-04T14:38:12.383105Z",
"structure_string": "Zr2 P4 S12\n1.0\n6.724926 -0.000000 0.000000\n0.000000 6.724926 0.000000\n0.000000 0.000000 9.558102\nZr P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Zr\n0.000000 0.000000 0.250000 Zr\n0.657268 0.059192 0.000000 P\n0.342733 0.940808 0.000000 P\n0.059192 0.342733 0.500000 P\n0.940808 0.657268 0.500000 P\n0.784929 0.692380 0.320565 S\n0.307620 0.784929 0.820565 S\n0.692380 0.215071 0.820565 S\n0.215071 0.307620 0.320565 S\n0.841356 0.816324 0.000000 S\n0.158644 0.183676 0.000000 S\n0.816324 0.158644 0.500000 S\n0.784929 0.692380 0.679435 S\n0.692380 0.215071 0.179435 S\n0.215071 0.307620 0.679435 S\n0.183676 0.841356 0.500000 S\n0.307620 0.784929 0.179435 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"P",
"S"
],
"chemical_system": "P-S-Zr",
"density": 2.654958845004864,
"density_atomic": 0.04164144817794139,
"volume": 432.2616236371695,
"volume_molar": 14.461890792717655,
"formula_full": "Zr2 P4 S12",
"formula_reduced": "Zr(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.764638388888889,
"spacegroup": 84
},
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S-Ti",
"density": 2.340179546943284,
"density_atomic": 0.041093880552536696,
"volume": 438.02142211874593,
"volume_molar": 14.654592554969254,
"formula_full": "Ti2 S2 Cl12 O2",
"formula_reduced": "TiSCl6O",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.0193351375925928,
"spacegroup": 2
},
{
"id": "jvasp-45853",
"created_at": "2022-09-04T14:38:07.565655Z",
"updated_at": "2022-09-04T14:38:07.565675Z",
"structure_string": "Li4 V2 F12\n1.0\n4.612359 -0.000000 0.000000\n0.000000 4.612359 0.000000\n0.000000 0.000000 8.916611\nLi V F\n4 2 12\ndirect\n0.000000 0.000000 0.335480 Li\n0.000000 0.000000 0.664520 Li\n0.500000 0.500000 0.164520 Li\n0.500000 0.500000 0.835480 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.784323 0.215677 0.500000 F\n0.715678 0.715678 0.000000 F\n0.695061 0.695061 0.654721 F\n0.695061 0.695061 0.345278 F\n0.304939 0.304939 0.654721 F\n0.215677 0.784323 0.500000 F\n0.284323 0.284323 0.000000 F\n0.804940 0.195061 0.845278 F\n0.195061 0.804940 0.845278 F\n0.195061 0.804940 0.154722 F\n0.304939 0.304939 0.345278 F\n0.804940 0.195061 0.154722 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.130649075635087,
"density_atomic": 0.09489131799723051,
"volume": 189.69069436389688,
"volume_molar": 6.346355901786254,
"formula_full": "Li4 V2 F12",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2964150994444443,
"spacegroup": 136
}
]
}