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=volume&page=3877",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3875",
"results": [
{
"id": "jvasp-119156",
"created_at": "2022-09-04T14:38:48.825093Z",
"updated_at": "2022-09-04T14:38:48.825114Z",
"structure_string": "Nb6 Tl1 S8\n1.0\n9.760150 -0.000000 0.000000\n-4.880075 8.452538 0.000000\n-0.000000 -0.000000 3.396292\nNb Tl S\n6 1 8\ndirect\n0.040041 0.222603 -0.000000 Nb\n0.182563 0.959960 -0.000000 Nb\n0.777398 0.817438 -0.000000 Nb\n0.289459 0.444053 0.500000 Nb\n0.154595 0.710542 0.500000 Nb\n0.555947 0.845406 0.500000 Nb\n0.666667 0.333333 -0.000000 Tl\n0.319160 0.274809 -0.000000 S\n0.955650 0.680841 -0.000000 S\n0.725191 0.044351 -0.000000 S\n0.009433 0.392304 0.500000 S\n0.382872 0.990568 0.500000 S\n0.607697 0.617129 0.500000 S\n0.333334 0.666667 -0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Nb",
"Tl",
"S"
],
"chemical_system": "Nb-S-Tl",
"density": 6.035231424958649,
"density_atomic": 0.05353559240825131,
"volume": 280.1874290586553,
"volume_molar": 11.248854246491579,
"formula_full": "Nb6 Tl1 S8",
"formula_reduced": "Nb6TlS8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.855893933333333,
"spacegroup": 174
},
{
"id": "jvasp-112484",
"created_at": "2022-09-04T14:38:40.578351Z",
"updated_at": "2022-09-04T14:38:40.578368Z",
"structure_string": "Pr1 Mo6 S8\n1.0\n6.543735 0.007127 0.136043\n0.133392 6.542379 0.136043\n0.007266 0.007127 6.545145\nPr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Pr\n0.772612 0.579934 0.437155 Mo\n0.437156 0.772613 0.579932 Mo\n0.579933 0.437157 0.772611 Mo\n0.227388 0.420067 0.562843 Mo\n0.562844 0.227388 0.420066 Mo\n0.420067 0.562845 0.227387 Mo\n0.756630 0.756631 0.756629 S\n0.243370 0.243370 0.243369 S\n0.248733 0.624885 0.874773 S\n0.874773 0.248733 0.624883 S\n0.624884 0.874774 0.248732 S\n0.751267 0.375116 0.125226 S\n0.125226 0.751268 0.375115 S\n0.375116 0.125227 0.751267 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Pr",
"Mo",
"S"
],
"chemical_system": "Mo-Pr-S",
"density": 5.766877783328738,
"density_atomic": 0.05353525487501926,
"volume": 280.1891956061151,
"volume_molar": 11.248925169141325,
"formula_full": "Pr1 Mo6 S8",
"formula_reduced": "Pr(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.30254835,
"spacegroup": 148
},
{
"id": "jvasp-55752",
"created_at": "2022-09-04T14:37:07.136913Z",
"updated_at": "2022-09-04T14:37:07.136939Z",
"structure_string": "K2 Co1 Pb1 N6 O12\n1.0\n6.360978 0.000000 3.672512\n2.120326 5.997188 3.672512\n0.000000 0.000000 7.345026\nK Co Pb N O\n2 1 1 6 12\ndirect\n0.750002 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pb\n0.809171 0.190831 0.190828 N\n0.190830 0.809171 0.809169 N\n0.190830 0.809171 0.190828 N\n0.809171 0.190831 0.809169 N\n0.809171 0.809171 0.190829 N\n0.190830 0.190831 0.809171 N\n0.357606 0.149228 0.642394 O\n0.850774 0.642393 0.149227 O\n0.149228 0.642393 0.357606 O\n0.642395 0.850771 0.357605 O\n0.149230 0.850771 0.642395 O\n0.357608 0.850771 0.149226 O\n0.642394 0.149228 0.850771 O\n0.357606 0.642393 0.850772 O\n0.642393 0.357606 0.149229 O\n0.850771 0.357606 0.642394 O\n0.850772 0.149228 0.357606 O\n0.149228 0.357606 0.850772 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Co",
"Pb",
"N",
"O"
],
"chemical_system": "Co-K-N-O-Pb",
"density": 3.676460863067429,
"density_atomic": 0.07851593133028471,
"volume": 280.1979117773553,
"volume_molar": 7.669960297187706,
"formula_full": "K2 Co1 Pb1 N6 O12",
"formula_reduced": "K2CoPb(NO2)6",
"formula_anonymous": "ABC2D6E12",
"energy_above_hull": 3.5200704190909096,
"spacegroup": 202
},
{
"id": "jvasp-22189",
"created_at": "2022-09-04T14:37:29.493706Z",
"updated_at": "2022-09-04T14:37:29.493724Z",
"structure_string": "Cu2 Rh4 Se8\n1.0\n6.361031 -0.000000 3.672543\n2.120344 5.997238 3.672543\n0.000000 0.000000 7.345086\nCu Rh Se\n2 4 8\ndirect\n0.874999 0.875000 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 -0.000000 Rh\n0.259298 0.259298 0.722107 Se\n0.740701 0.740702 0.740702 Se\n0.740701 0.740702 0.277893 Se\n0.259298 0.722107 0.259298 Se\n0.259298 0.259298 0.259298 Se\n0.277893 0.740702 0.740702 Se\n0.740701 0.277894 0.740702 Se\n0.722106 0.259298 0.259298 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Rh",
"Se"
],
"chemical_system": "Cu-Rh-Se",
"density": 6.935942799640936,
"density_atomic": 0.04996344256724919,
"volume": 280.204871414864,
"volume_molar": 12.053094123557225,
"formula_full": "Cu2 Rh4 Se8",
"formula_reduced": "Cu(RhSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7270957023809523,
"spacegroup": 227
},
{
"id": "jvasp-20932",
"created_at": "2022-09-04T14:36:49.879103Z",
"updated_at": "2022-09-04T14:36:49.879136Z",
"structure_string": "Cr4 Cu2 Se8\n1.0\n6.361038 -0.000000 3.672547\n2.120346 5.997244 3.672547\n0.000000 0.000000 7.345095\nCr Cu Se\n4 2 8\ndirect\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.875001 0.874999 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.257679 0.257679 0.257679 Se\n0.742322 0.742321 0.273038 Se\n0.273038 0.742321 0.742321 Se\n0.742322 0.273037 0.742321 Se\n0.726963 0.257679 0.257679 Se\n0.257680 0.726962 0.257679 Se\n0.257679 0.257679 0.726962 Se\n0.742322 0.742321 0.742321 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"Se"
],
"chemical_system": "Cr-Cu-Se",
"density": 5.72913462313513,
"density_atomic": 0.04996327637821201,
"volume": 280.20580343896586,
"volume_molar": 12.053134214845318,
"formula_full": "Cr4 Cu2 Se8",
"formula_reduced": "Cr2CuSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3312098166666675,
"spacegroup": 227
},
{
"id": "jvasp-116919",
"created_at": "2022-09-04T14:38:47.070806Z",
"updated_at": "2022-09-04T14:38:47.070845Z",
"structure_string": "Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Hg",
"S"
],
"chemical_system": "Al-Hg-S",
"density": 4.537003188565374,
"density_atomic": 0.04996101603314323,
"volume": 280.2184805591755,
"volume_molar": 12.053679524861987,
"formula_full": "Al4 Hg2 S8",
"formula_reduced": "Al2HgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3824271714285716,
"spacegroup": 227
},
{
"id": "jvasp-59055",
"created_at": "2022-09-04T14:38:36.366762Z",
"updated_at": "2022-09-04T14:38:36.366787Z",
"structure_string": "Li2 Sb6 O16\n1.0\n0.000000 5.685921 0.010606\n4.758791 0.000000 0.000000\n0.000000 -1.176529 -10.358481\nLi Sb O\n2 6 16\ndirect\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.763901 0.979126 0.248786 Sb\n0.236099 0.479126 0.251214 Sb\n0.236099 0.020874 0.751213 Sb\n0.763900 0.520874 0.748786 Sb\n0.986314 0.689999 0.325707 O\n0.013685 0.189999 0.174292 O\n0.721359 0.793971 0.078620 O\n0.278641 0.293972 0.421380 O\n0.278641 0.206028 0.921379 O\n0.721359 0.706028 0.578620 O\n0.521080 0.282897 0.174042 O\n0.764552 0.173122 0.418422 O\n0.478919 0.717103 0.825958 O\n0.521080 0.217103 0.674042 O\n0.986314 0.810001 0.825707 O\n0.235447 0.673122 0.081578 O\n0.235447 0.826878 0.581577 O\n0.764552 0.326878 0.918422 O\n0.478919 0.782897 0.325958 O\n0.013685 0.310001 0.674292 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 5.928370537884714,
"density_atomic": 0.08564652292888474,
"volume": 280.22153356917977,
"volume_molar": 7.031389663069441,
"formula_full": "Li2 Sb6 O16",
"formula_reduced": "LiSb3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.387950525000001,
"spacegroup": 14
},
{
"id": "jvasp-110367",
"created_at": "2022-09-04T14:38:38.829865Z",
"updated_at": "2022-09-04T14:38:38.829893Z",
"structure_string": "Rb2 Al1 Hg1 Cl6\n1.0\n6.361334 0.000000 3.672719\n2.120444 5.997524 3.672719\n-0.000000 -0.000000 7.345436\nRb Al Hg Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500001 Hg\n0.774251 0.225748 0.225749 Cl\n0.225748 0.225748 0.774252 Cl\n0.225748 0.774251 0.774253 Cl\n0.225748 0.774251 0.225749 Cl\n0.774251 0.225748 0.774252 Cl\n0.774251 0.774251 0.225750 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-Rb",
"density": 3.6217004978733507,
"density_atomic": 0.03568307129227195,
"volume": 280.2449351428375,
"volume_molar": 16.876744467072385,
"formula_full": "Rb2 Al1 Hg1 Cl6",
"formula_reduced": "Rb2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90810",
"created_at": "2022-09-04T14:35:43.533468Z",
"updated_at": "2022-09-04T14:35:43.533503Z",
"structure_string": "Te4 Pb4\n1.0\n0.000000 4.626790 0.000000\n0.000000 -0.000000 4.627536\n13.089301 0.000000 0.000000\nTe Pb\n4 4\ndirect\n0.250000 0.249808 0.875038 Te\n0.250000 0.250193 0.375038 Te\n0.750000 0.750193 0.124962 Te\n0.750000 0.749808 0.624962 Te\n0.250000 0.249672 0.625071 Pb\n0.250000 0.250328 0.125071 Pb\n0.750000 0.750329 0.374929 Pb\n0.750000 0.749673 0.874929 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Te",
"Pb"
],
"chemical_system": "Pb-Te",
"density": 7.935028464805857,
"density_atomic": 0.02854591300249782,
"volume": 280.2502760833043,
"volume_molar": 21.096332632531503,
"formula_full": "Te4 Pb4",
"formula_reduced": "TePb",
"formula_anonymous": "AB",
"energy_above_hull": 0.1778892933333333,
"spacegroup": 225
},
{
"id": "jvasp-48530",
"created_at": "2022-09-04T14:36:17.217956Z",
"updated_at": "2022-09-04T14:36:17.217983Z",
"structure_string": "Li14 V2 O10 F2\n1.0\n5.498529 -0.014894 0.012804\n2.705614 4.794354 0.006311\n0.262444 0.077571 10.615456\nLi V O F\n14 2 10 2\ndirect\n0.362847 0.984192 0.756893 Li\n0.368118 0.026849 0.128300 Li\n0.612666 0.384244 0.128123 Li\n0.313163 0.345221 0.933908 Li\n0.345465 0.312874 0.409043 Li\n0.007574 0.349610 0.257984 Li\n0.268708 0.686378 0.266156 Li\n0.702554 0.001075 0.261071 Li\n0.706976 0.290544 0.768847 Li\n0.955231 0.727805 0.758427 Li\n0.668905 0.648877 0.908179 Li\n0.652811 0.669915 0.433139 Li\n0.394241 0.626764 0.630799 Li\n0.996356 0.384907 0.626605 Li\n0.002137 0.985353 0.996236 V\n0.988121 -0.001315 0.496890 V\n0.001372 0.030581 0.169278 O\n0.681815 0.298313 0.952083 O\n0.317048 -0.006576 0.948165 O\n0.357406 0.320191 0.220438 O\n0.987918 0.316405 0.447516 O\n0.302509 0.679986 0.452968 O\n0.679253 0.634684 0.719426 O\n0.697658 0.985674 0.438448 O\n0.032470 -0.000332 0.669668 O\n0.989929 0.694943 0.937053 O\n0.634885 0.681013 0.216892 F\n0.319493 0.355589 0.717221 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.35254679287453,
"density_atomic": 0.09990895197401141,
"volume": 280.2551667970998,
"volume_molar": 6.027628797033619,
"formula_full": "Li14 V2 O10 F2",
"formula_reduced": "Li7VO5F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 1.6968444273214287,
"spacegroup": 1
},
{
"id": "jvasp-47954",
"created_at": "2022-09-04T14:37:07.884899Z",
"updated_at": "2022-09-04T14:37:07.884931Z",
"structure_string": "Fe8 O4 F12\n1.0\n0.000000 5.680985 -0.075387\n4.685846 0.000000 0.000000\n0.000000 -1.213109 -10.511926\nFe O F\n8 4 12\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.256468 0.469990 0.272258 Fe\n0.743532 0.530011 0.727743 Fe\n0.256468 0.030011 0.772258 Fe\n0.500000 0.000000 0.500000 Fe\n0.743532 0.969990 0.227742 Fe\n0.000000 0.000000 0.000000 Fe\n0.270651 0.291771 0.433353 O\n0.270651 0.208230 0.933353 O\n0.729350 0.791771 0.066647 O\n0.729349 0.708230 0.566648 O\n0.519708 0.202100 0.678983 F\n0.480293 0.797901 0.321018 F\n0.230971 0.796986 0.590172 F\n0.984246 0.782460 0.826582 F\n0.480293 0.702100 0.821018 F\n0.230971 0.703015 0.090172 F\n0.984246 0.717541 0.326582 F\n0.769029 0.296986 0.909829 F\n0.519708 0.297900 0.178983 F\n0.015755 0.282460 0.673419 F\n0.015755 0.217541 0.173418 F\n0.769030 0.203015 0.409828 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.37704763558197,
"density_atomic": 0.08563527965074895,
"volume": 280.2583245816504,
"volume_molar": 7.032312832468612,
"formula_full": "Fe8 O4 F12",
"formula_reduced": "Fe2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.32287089125,
"spacegroup": 14
},
{
"id": "jvasp-38219",
"created_at": "2022-09-04T14:38:31.899722Z",
"updated_at": "2022-09-04T14:38:31.899753Z",
"structure_string": "Rb3 Na1\n1.0\n-3.643241 3.643241 5.278980\n3.643241 -3.643241 5.278980\n3.643241 3.643241 -5.278980\nRb Na\n3 1\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Na"
],
"chemical_system": "Na-Rb",
"density": 1.6553089840321653,
"density_atomic": 0.014271649850664802,
"volume": 280.2759345874557,
"volume_molar": 42.19652824315527,
"formula_full": "Rb3 Na1",
"formula_reduced": "Rb3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0085449999999999,
"spacegroup": 225
}
]
}