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=3583",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3581",
"results": [
{
"id": "jvasp-46735",
"created_at": "2022-09-04T14:38:02.060024Z",
"updated_at": "2022-09-04T14:38:02.060049Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.132556 0.054058 0.000000\n-0.170281 5.130015 -0.000000\n0.000000 -0.000000 6.577377\nLi Fe Si O\n2 2 2 8\ndirect\n0.308599 0.691401 0.500000 Li\n0.691402 0.308599 0.000000 Li\n0.319087 0.680913 0.000000 Fe\n0.680914 0.319087 0.500000 Fe\n0.175278 0.175278 0.250000 Si\n0.824722 0.824721 0.750000 Si\n0.139170 0.768292 0.760179 O\n0.231708 0.860830 0.239821 O\n0.317279 0.302398 0.452839 O\n0.302398 0.317278 0.047161 O\n0.697603 0.682721 0.547162 O\n0.682722 0.697602 0.952839 O\n0.768293 0.139170 0.739822 O\n0.860831 0.231708 0.260179 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.9688413972157544,
"density_atomic": 0.08081112730705356,
"volume": 173.24346864764027,
"volume_molar": 7.452118242476691,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438199728571429,
"spacegroup": 20
},
{
"id": "jvasp-13168",
"created_at": "2022-09-04T14:38:16.918641Z",
"updated_at": "2022-09-04T14:38:16.918660Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.948572 -0.002611 0.000000\n1.887320 4.574537 0.000000\n0.000000 -0.000000 6.068349\nLi Co P O\n2 2 2 8\ndirect\n0.331435 0.331437 0.750000 Li\n0.668563 0.668564 0.250000 Li\n0.000000 0.000000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.351127 0.351129 0.250000 P\n0.648871 0.648872 0.750000 P\n0.243503 0.694850 0.250000 O\n0.756495 0.305151 0.750000 O\n0.245680 0.245681 0.458403 O\n0.754321 0.754320 0.958404 O\n0.245680 0.245681 0.041597 O\n0.694850 0.243505 0.250000 O\n0.754321 0.754320 0.541596 O\n0.305150 0.756496 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.8877295519059447,
"density_atomic": 0.10189102223405598,
"volume": 137.40170324172732,
"volume_molar": 5.910374268467359,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4234057714285715,
"spacegroup": 63
},
{
"id": "jvasp-47439",
"created_at": "2022-09-04T14:38:10.741945Z",
"updated_at": "2022-09-04T14:38:10.741974Z",
"structure_string": "Li3 Mn3 O5 F3\n1.0\n5.719584 0.015963 0.007361\n-2.630843 5.180621 0.009279\n-2.858246 -1.784052 4.829132\nLi Mn O F\n3 3 5 3\ndirect\n0.007562 0.027923 0.991046 Li\n0.242073 0.619379 0.871744 Li\n0.499196 0.226704 0.754185 Li\n0.750889 0.130749 0.383031 Mn\n0.749243 0.612296 0.389238 Mn\n0.248296 0.625854 0.373981 Mn\n0.755022 0.383740 0.595900 O\n0.301630 0.425407 0.161253 O\n0.715553 0.871721 0.576715 O\n0.783331 0.376595 0.176305 O\n0.197240 0.827517 0.586919 O\n0.264609 0.380514 0.647267 F\n0.239455 0.870135 0.100070 F\n0.745890 0.871462 0.142343 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.732522101447344,
"density_atomic": 0.09753881169274345,
"volume": 143.5326077592716,
"volume_molar": 6.174096911258584,
"formula_full": "Li3 Mn3 O5 F3",
"formula_reduced": "Li3Mn3O5F3",
"formula_anonymous": "A3B3C3D5",
"energy_above_hull": 2.1685007194027093,
"spacegroup": 1
},
{
"id": "jvasp-51658",
"created_at": "2022-09-04T14:38:28.847890Z",
"updated_at": "2022-09-04T14:38:28.847913Z",
"structure_string": "Ni6 Bi4 S4\n1.0\n6.576314 -0.000000 -2.325078\n-3.288158 5.695255 -2.325078\n-0.000000 -0.000000 6.975235\nNi Bi S\n6 4 4\ndirect\n0.520650 0.270651 0.250000 Ni\n0.979349 0.229350 0.749999 Ni\n0.750000 0.979350 0.229349 Ni\n0.229349 0.750001 0.979349 Ni\n0.250000 0.520651 0.270650 Ni\n0.270650 0.250000 0.520650 Ni\n0.005674 0.005674 0.005674 Bi\n0.494326 0.500000 -0.000000 Bi\n0.000000 0.494326 0.500000 Bi\n0.500000 0.000000 0.494326 Bi\n0.000000 0.959954 0.500000 S\n0.959953 0.500000 -0.000000 S\n0.500000 0.000000 0.959952 S\n0.540046 0.540047 0.540046 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ni",
"Bi",
"S"
],
"chemical_system": "Bi-Ni-S",
"density": 8.366874921636457,
"density_atomic": 0.053588731441790736,
"volume": 261.2489533402579,
"volume_molar": 11.237699788697896,
"formula_full": "Ni6 Bi4 S4",
"formula_reduced": "Ni3(BiS)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.369463685714286,
"spacegroup": 199
},
{
"id": "jvasp-10598",
"created_at": "2022-09-04T14:38:16.440302Z",
"updated_at": "2022-09-04T14:38:16.440329Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.809154 0.010042 0.007100\n2.913274 5.045938 -0.000000\n2.913274 1.681980 4.757356\nMg Ni O\n2 4 8\ndirect\n0.974402 0.008532 0.008532 Mg\n0.124742 0.625086 0.625086 Mg\n0.257594 0.247469 0.247469 Ni\n0.625367 0.123074 0.625779 Ni\n0.625367 0.625778 0.123074 Ni\n0.625367 0.625778 0.625779 Ni\n0.407574 0.376018 0.376019 O\n0.407574 0.376018 0.840388 O\n0.407574 0.840388 0.376019 O\n0.860717 0.379760 0.379760 O\n0.398152 0.867281 0.867282 O\n0.845183 0.416689 0.869063 O\n0.845183 0.869063 0.416690 O\n0.845183 0.869063 0.869063 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.905928111189214,
"density_atomic": 0.10054447510645931,
"volume": 139.24186271972087,
"volume_molar": 5.989529264162538,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5531296928571428,
"spacegroup": 160
},
{
"id": "jvasp-9682",
"created_at": "2022-09-04T14:38:16.423110Z",
"updated_at": "2022-09-04T14:38:16.423135Z",
"structure_string": "Na4 S2 O8\n1.0\n5.557282 0.016562 -1.262728\n-3.041901 4.650858 -1.262728\n-0.001278 -0.002371 6.822791\nNa S O\n4 2 8\ndirect\n0.558551 0.441449 0.250000 Na\n0.191449 0.808552 0.250000 Na\n0.808551 0.191448 0.749999 Na\n0.441448 0.558552 0.750000 Na\n0.875000 0.125000 0.250000 S\n0.125000 0.875000 0.750000 S\n0.249566 0.179418 0.886381 O\n0.293037 0.863185 0.613618 O\n0.820582 0.750434 0.613618 O\n0.136815 0.706964 0.886381 O\n0.750434 0.820582 0.113618 O\n0.706963 0.136815 0.386381 O\n0.863185 0.293036 0.113618 O\n0.179418 0.249566 0.386381 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.6703898595659683,
"density_atomic": 0.07925130282379644,
"volume": 176.6532473431627,
"volume_molar": 7.598790865797299,
"formula_full": "Na4 S2 O8",
"formula_reduced": "Na2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3757259999999998,
"spacegroup": 70
},
{
"id": "jvasp-119264",
"created_at": "2022-09-04T14:38:28.818328Z",
"updated_at": "2022-09-04T14:38:28.818356Z",
"structure_string": "Sr2 Y2 Co2 O8\n1.0\n3.584498 0.004411 -1.059301\n-0.636030 7.139522 -2.122864\n-0.008174 -0.004901 6.566946\nSr Y Co O\n2 2 2 8\ndirect\n0.643359 0.321681 0.286725 Sr\n0.643379 0.821677 0.286717 Sr\n0.363333 0.681613 0.726505 Y\n0.363180 0.181607 0.726512 Y\n0.007168 0.003586 0.014326 Co\n0.007151 0.503583 0.014313 Co\n0.840723 0.420404 0.681483 O\n0.840758 0.920382 0.681487 O\n0.174129 0.587056 0.348230 O\n0.174103 0.087060 0.348245 O\n0.485677 0.492824 0.971358 O\n0.485690 0.992836 0.971378 O\n0.985753 0.742847 0.971375 O\n0.985609 0.242841 0.971356 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Y",
"density": 5.920645098255594,
"density_atomic": 0.08334585705658516,
"volume": 167.9747559677156,
"volume_molar": 7.225483032601668,
"formula_full": "Sr2 Y2 Co2 O8",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1069495228571427,
"spacegroup": 107
},
{
"id": "jvasp-86029",
"created_at": "2022-09-04T14:38:11.988557Z",
"updated_at": "2022-09-04T14:38:11.988580Z",
"structure_string": "Na2 Ca2 V2 O8\n1.0\n5.528233 0.017025 -0.000000\n-2.348746 5.004502 0.000000\n-0.000000 0.000000 7.130291\nNa Ca V O\n2 2 2 8\ndirect\n0.499999 0.499999 0.000000 Na\n0.499999 0.499999 0.500000 Na\n0.819206 0.180792 0.250000 Ca\n0.180792 0.819207 0.750000 Ca\n0.144891 0.855108 0.250000 V\n0.855107 0.144891 0.750000 V\n0.258839 0.199850 0.250000 O\n0.252518 0.747481 0.053675 O\n0.800149 0.741160 0.250000 O\n0.747480 0.252518 0.553675 O\n0.199849 0.258839 0.750000 O\n0.252518 0.747481 0.446325 O\n0.747480 0.252518 0.946325 O\n0.741159 0.800149 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"Ca",
"V",
"O"
],
"chemical_system": "Ca-Na-O-V",
"density": 2.992499839643251,
"density_atomic": 0.07086737009875123,
"volume": 197.5521312628292,
"volume_molar": 8.497762442162529,
"formula_full": "Na2 Ca2 V2 O8",
"formula_reduced": "NaCaVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7034239457142863,
"spacegroup": 63
},
{
"id": "jvasp-22394",
"created_at": "2022-09-04T14:38:18.102089Z",
"updated_at": "2022-09-04T14:38:18.102113Z",
"structure_string": "Ti6 Se8\n1.0\n4.947741 -8.569740 0.000000\n4.947741 8.569740 -0.000000\n-0.000000 -0.000000 3.580729\nTi Se\n6 8\ndirect\n0.359152 0.870478 0.750000 Ti\n0.488674 0.359152 0.250000 Ti\n0.870478 0.511325 0.250000 Ti\n0.129521 0.488674 0.750000 Ti\n0.511326 0.640848 0.750000 Ti\n0.640848 0.129521 0.250000 Ti\n0.049690 0.699614 0.750000 Se\n0.350075 0.049690 0.250000 Se\n0.699613 0.649924 0.250000 Se\n0.300386 0.350075 0.750000 Se\n0.649924 0.950310 0.750000 Se\n0.950310 0.300386 0.250000 Se\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.02496208266521,
"density_atomic": 0.046105420043381314,
"volume": 303.6519347796242,
"volume_molar": 13.061676380637405,
"formula_full": "Ti6 Se8",
"formula_reduced": "Ti3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.6032783523809524,
"spacegroup": 176
},
{
"id": "jvasp-30934",
"created_at": "2022-09-04T14:38:28.790075Z",
"updated_at": "2022-09-04T14:38:28.790099Z",
"structure_string": "Ba8 Bi6\n1.0\n8.700253 0.000000 -3.076004\n-4.350127 7.534640 -3.076004\n-0.000000 -0.000000 9.228012\nBa Bi\n8 6\ndirect\n0.645417 0.645417 0.645418 Ba\n0.354582 0.500000 0.000000 Ba\n0.500000 -0.000000 0.354583 Ba\n-0.000000 0.354583 0.500000 Ba\n0.500000 -0.000000 0.854583 Ba\n-0.000000 0.854583 0.500000 Ba\n0.145417 0.145417 0.145417 Ba\n0.854582 0.500000 0.000000 Ba\n0.749999 0.875000 0.125000 Bi\n0.625000 0.375000 0.250000 Bi\n0.875000 0.125000 0.750000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n0.250000 0.625000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 6.457670697337103,
"density_atomic": 0.023143311259358493,
"volume": 604.926401546745,
"volume_molar": 26.02108528253414,
"formula_full": "Ba8 Bi6",
"formula_reduced": "Ba4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.2762720428571428,
"spacegroup": 220
},
{
"id": "jvasp-10051",
"created_at": "2022-09-04T14:38:11.993013Z",
"updated_at": "2022-09-04T14:38:11.993024Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.960968 -0.008541 -0.037031\n2.973087 5.166621 -0.037031\n2.947782 1.701904 4.813709\nMg Mn O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.991373 0.991372 0.008628 Mn\n0.258628 0.258627 0.241373 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.624999 0.625000 Mn\n0.397874 0.397873 0.366507 O\n0.399973 0.844055 0.377986 O\n0.397874 0.397873 0.837747 O\n0.844056 0.399972 0.377986 O\n0.405945 0.850027 0.872014 O\n0.850028 0.405944 0.872014 O\n0.852127 0.852126 0.412254 O\n0.852127 0.852126 0.883494 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4134252942526695,
"density_atomic": 0.09387885173447867,
"volume": 149.12836854456594,
"volume_molar": 6.414800190603803,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.510508218965517,
"spacegroup": 74
},
{
"id": "jvasp-44510",
"created_at": "2022-09-04T14:38:18.187063Z",
"updated_at": "2022-09-04T14:38:18.187085Z",
"structure_string": "Cr6 O8\n1.0\n2.806324 -2.943075 -4.248691\n3.074893 2.906082 4.228644\n2.780100 -2.967858 4.248691\nCr O\n6 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.284087 0.034089 0.215918 O\n0.743008 0.000028 0.242966 O\n0.284082 0.534089 0.215913 O\n0.742966 0.499972 0.243008 O\n0.257034 0.500027 0.756991 O\n0.715918 0.465910 0.784087 O\n0.256991 -0.000028 0.757034 O\n0.715913 0.965910 0.784081 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.976152813018016,
"density_atomic": 0.09535595183843287,
"volume": 146.81831317379132,
"volume_molar": 6.315432486273813,
"formula_full": "Cr6 O8",
"formula_reduced": "Cr3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.655012314285714,
"spacegroup": 65
}
]
}