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=id&page=496",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=494",
"results": [
{
"id": "jvasp-10876",
"created_at": "2022-09-04T14:36:32.176366Z",
"updated_at": "2022-09-04T14:36:32.176392Z",
"structure_string": "Ba4 Na8\n1.0\n3.615046 -6.261444 0.000000\n3.615046 6.261444 0.000000\n0.000000 0.000000 11.676010\nBa Na\n4 8\ndirect\n0.666667 0.333334 0.560628 Ba\n0.333334 0.666667 0.060628 Ba\n0.333334 0.666667 0.439372 Ba\n0.666667 0.333334 0.939372 Ba\n0.830693 0.661385 0.250000 Na\n0.661385 0.830693 0.750000 Na\n0.169308 0.830693 0.750000 Na\n0.830693 0.169308 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.169308 0.338616 0.750000 Na\n0.338616 0.169308 0.250000 Na\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Na"
],
"chemical_system": "Ba-Na",
"density": 2.3034259900261587,
"density_atomic": 0.02270222708247772,
"volume": 528.5825023423349,
"volume_molar": 26.52665193648809,
"formula_full": "Ba4 Na8",
"formula_reduced": "BaNa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-108760",
"created_at": "2022-09-04T14:38:19.539940Z",
"updated_at": "2022-09-04T14:38:19.539950Z",
"structure_string": "La1 Ti2 O6\n1.0\n3.831515 -0.000000 0.000000\n0.000000 3.831515 0.000000\n-0.000000 -0.000000 8.013982\nLa Ti O\n1 2 6\ndirect\n0.000000 0.000000 0.500000 La\n0.499999 0.499999 0.772159 Ti\n0.499999 0.499999 0.227841 Ti\n0.499999 0.000000 0.723655 O\n-0.000000 0.499999 0.723655 O\n0.499999 0.000000 0.276344 O\n-0.000000 0.499999 0.276344 O\n0.499999 0.499999 0.500000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"La",
"Ti",
"O"
],
"chemical_system": "La-O-Ti",
"density": 4.666697410788683,
"density_atomic": 0.07649852942945383,
"volume": 117.64932041340363,
"volume_molar": 7.8722307538650895,
"formula_full": "La1 Ti2 O6",
"formula_reduced": "LaTi2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8025102962962967,
"spacegroup": 123
},
{
"id": "jvasp-108761",
"created_at": "2022-09-04T14:38:07.901201Z",
"updated_at": "2022-09-04T14:38:07.901234Z",
"structure_string": "Li1 Ti2 Te4\n1.0\n7.215722 -0.004668 3.361133\n6.185601 3.715509 3.361133\n0.035556 0.009845 6.695615\nLi Ti Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750602 0.750602 0.237123 Ti\n0.249398 0.249399 0.762877 Ti\n0.125135 0.125135 0.215083 Te\n0.630868 0.630869 0.699617 Te\n0.874865 0.874866 0.784917 Te\n0.369132 0.369132 0.300383 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Te"
],
"chemical_system": "Li-Te-Ti",
"density": 5.680218227458106,
"density_atomic": 0.03905713266331877,
"volume": 179.22462614809868,
"volume_molar": 15.418798947460383,
"formula_full": "Li1 Ti2 Te4",
"formula_reduced": "Li(TiTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.837748247619048,
"spacegroup": 12
},
{
"id": "jvasp-108762",
"created_at": "2022-09-04T14:38:10.611034Z",
"updated_at": "2022-09-04T14:38:10.611061Z",
"structure_string": "La1 Pr1 C4\n1.0\n3.910358 -0.000000 0.000000\n0.000000 3.910358 0.000000\n-0.000000 -0.000000 6.540347\nLa Pr C\n1 1 4\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.598622 C\n0.500000 0.500000 0.098781 C\n0.500000 0.500000 0.901220 C\n0.000000 0.000000 0.401378 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Pr",
"C"
],
"chemical_system": "C-La-Pr",
"density": 5.443751570805656,
"density_atomic": 0.05999532642239654,
"volume": 100.00778990278435,
"volume_molar": 10.037683131517904,
"formula_full": "La1 Pr1 C4",
"formula_reduced": "LaPrC4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.0713258083333335,
"spacegroup": 123
},
{
"id": "jvasp-108763",
"created_at": "2022-09-04T14:38:19.187213Z",
"updated_at": "2022-09-04T14:38:19.187246Z",
"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.302417 -0.000000 0.000000\n0.000000 4.302417 0.000000\n-0.000000 -0.000000 10.430651\nLa Ge Pd Rh\n2 4 2 2\ndirect\n-0.000000 0.500000 0.252015 La\n0.500000 0.000000 0.747985 La\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n-0.000000 0.500000 0.876602 Ge\n0.500000 0.000000 0.123398 Ge\n-0.000000 0.500000 0.634837 Pd\n0.500000 0.000000 0.365163 Pd\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 -0.000000 Rh\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ge",
"Pd",
"Rh"
],
"chemical_system": "Ge-La-Pd-Rh",
"density": 8.488666814880885,
"density_atomic": 0.051792107520547616,
"volume": 193.07961152252153,
"volume_molar": 11.627525984747425,
"formula_full": "La2 Ge4 Pd2 Rh2",
"formula_reduced": "LaGe2PdRh",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.5338771200000003,
"spacegroup": 129
},
{
"id": "jvasp-108764",
"created_at": "2022-09-04T14:38:18.460687Z",
"updated_at": "2022-09-04T14:38:18.460706Z",
"structure_string": "La2 Al2 Zn2\n1.0\n4.527681 0.022511 3.734077\n2.113937 4.003956 3.734077\n-0.015893 -0.009635 7.698003\nLa Al Zn\n2 2 2\ndirect\n0.460807 0.460805 0.794074 La\n0.539195 0.539194 0.205926 La\n0.838063 0.838062 0.606368 Al\n0.161939 0.161938 0.393632 Al\n0.165758 0.165756 0.776266 Zn\n0.834244 0.834243 0.223734 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Zn"
],
"chemical_system": "Al-La-Zn",
"density": 5.506029074425202,
"density_atomic": 0.043007333754266706,
"volume": 139.5110897662831,
"volume_molar": 14.00259033589254,
"formula_full": "La2 Al2 Zn2",
"formula_reduced": "LaAlZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4199794000000001,
"spacegroup": 12
},
{
"id": "jvasp-108765",
"created_at": "2022-09-04T14:38:20.708347Z",
"updated_at": "2022-09-04T14:38:20.708367Z",
"structure_string": "La1 Mn1 Cu1 Ge2\n1.0\n3.944465 -0.019823 -4.587813\n-0.557188 3.904964 -4.587813\n0.017283 0.019823 6.050334\nLa Mn Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.749999 0.499999 Mn\n0.750000 0.250000 0.500000 Cu\n0.625188 0.625188 0.000001 Ge\n0.374812 0.374812 0.000001 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"La",
"Mn",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-La-Mn",
"density": 7.124876038805469,
"density_atomic": 0.05327819069946913,
"volume": 93.8470307335309,
"volume_molar": 11.303200579707385,
"formula_full": "La1 Mn1 Cu1 Ge2",
"formula_reduced": "LaMnCuGe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.454428918275862,
"spacegroup": 119
},
{
"id": "jvasp-108766",
"created_at": "2022-09-04T14:38:27.486753Z",
"updated_at": "2022-09-04T14:38:27.486783Z",
"structure_string": "La2 Zn1 Sb4\n1.0\n4.457259 0.000000 0.000000\n0.000000 4.457259 0.000000\n0.000000 0.000000 10.232334\nLa Zn Sb\n2 1 4\ndirect\n0.500000 -0.000000 0.753295 La\n-0.000000 0.500000 0.246705 La\n0.500000 0.500000 -0.000000 Zn\n0.500000 -0.000000 0.150529 Sb\n-0.000000 0.500000 0.849470 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"La",
"Zn",
"Sb"
],
"chemical_system": "La-Sb-Zn",
"density": 6.7819210897719735,
"density_atomic": 0.03443400919470281,
"volume": 203.28739416950762,
"volume_molar": 17.48893289174826,
"formula_full": "La2 Zn1 Sb4",
"formula_reduced": "La2ZnSb4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2857078285714287,
"spacegroup": 115
},
{
"id": "jvasp-108767",
"created_at": "2022-09-04T14:38:26.917448Z",
"updated_at": "2022-09-04T14:38:26.917476Z",
"structure_string": "K1 Na4 Cl5\n1.0\n4.064687 0.004199 -14.028400\n-0.077875 4.063943 -14.028400\n-0.004115 -0.004199 14.605399\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.396239 0.396238 0.000000 Na\n0.797879 0.797877 0.000001 Na\n0.202123 0.202122 0.000000 Na\n0.603763 0.603761 0.000001 Na\n0.105907 0.105907 0.000000 Cl\n0.500001 0.500000 0.000001 Cl\n0.894094 0.894092 0.000001 Cl\n0.298739 0.298739 0.000000 Cl\n0.701263 0.701261 0.000001 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.1262746594790154,
"density_atomic": 0.041530314529344386,
"volume": 240.78796689426045,
"volume_molar": 14.500590299514567,
"formula_full": "K1 Na4 Cl5",
"formula_reduced": "KNa4Cl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0019419999999999,
"spacegroup": 139
},
{
"id": "jvasp-108768",
"created_at": "2022-09-04T14:38:28.198523Z",
"updated_at": "2022-09-04T14:38:28.198538Z",
"structure_string": "K1 Na4 Cl5\n1.0\n6.198670 0.000261 3.324887\n4.878707 3.823836 3.324887\n-0.015176 -0.005239 9.995992\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.596682 0.596682 0.598662 Na\n0.201295 0.201295 0.207816 Na\n0.798705 0.798706 0.792184 Na\n0.403318 0.403318 0.401339 Na\n0.205630 0.205631 0.685696 Cl\n0.794369 0.794370 0.314305 Cl\n0.390124 0.390125 0.888249 Cl\n-0.000000 -0.000000 0.500000 Cl\n0.609875 0.609876 0.111751 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.1590274906490974,
"density_atomic": 0.04217004156279984,
"volume": 237.1351705951712,
"volume_molar": 14.280613764707338,
"formula_full": "K1 Na4 Cl5",
"formula_reduced": "KNa4Cl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.000601,
"spacegroup": 12
},
{
"id": "jvasp-108769",
"created_at": "2022-09-04T14:37:56.679455Z",
"updated_at": "2022-09-04T14:37:56.679476Z",
"structure_string": "K5 As4\n1.0\n5.928222 -0.038639 2.245253\n3.693002 4.637569 2.245253\n-0.016019 -0.007657 10.421326\nK As\n5 4\ndirect\n0.396194 0.396194 0.896022 K\n0.609076 0.609076 0.099994 K\n0.749744 0.749744 0.666140 K\n0.255519 0.255519 0.329868 K\n0.502642 0.502642 0.497987 K\n0.102053 0.102052 0.889995 As\n0.903194 0.903194 0.106014 As\n0.047658 0.047657 0.683497 As\n0.957619 0.957620 0.312485 As\n",
"nsites": 9,
"nelements": 2,
"elements": [
"K",
"As"
],
"chemical_system": "As-K",
"density": 2.853072349880661,
"density_atomic": 0.031228055544976086,
"volume": 288.20238221485755,
"volume_molar": 19.28439236739103,
"formula_full": "K5 As4",
"formula_reduced": "K5As4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.7155837870370372,
"spacegroup": 12
},
{
"id": "jvasp-10877",
"created_at": "2022-09-04T14:37:15.808762Z",
"updated_at": "2022-09-04T14:37:15.808786Z",
"structure_string": "Ba4 Ge2 Se8\n1.0\n0.000000 7.097853 0.045375\n7.112894 0.000000 0.000000\n0.000000 -2.947405 -8.719041\nBa Ge Se\n4 2 8\ndirect\n0.717434 0.250000 0.924262 Ba\n0.282566 0.750000 0.075738 Ba\n0.782579 0.250000 0.451370 Ba\n0.217421 0.750000 0.548630 Ba\n0.792480 0.750000 0.709905 Ge\n0.207520 0.250000 0.290095 Ge\n0.011619 0.011098 0.771903 Se\n0.988381 0.511097 0.228097 Se\n0.988381 0.988902 0.228097 Se\n0.011619 0.488902 0.771903 Se\n0.627913 0.750000 0.437158 Se\n0.372087 0.250000 0.562841 Se\n0.588869 0.750000 0.871765 Se\n0.411131 0.250000 0.128235 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Se"
],
"chemical_system": "Ba-Ge-Se",
"density": 5.013925426052604,
"density_atomic": 0.031873188948819464,
"volume": 439.2406427383395,
"volume_molar": 18.894064129165375,
"formula_full": "Ba4 Ge2 Se8",
"formula_reduced": "Ba2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7549644795238095,
"spacegroup": 11
}
]
}