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=644",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=642",
"results": [
{
"id": "jvasp-1109",
"created_at": "2022-09-04T14:37:16.659682Z",
"updated_at": "2022-09-04T14:37:16.659714Z",
"structure_string": "Sn4 S4\n1.0\n4.033602 0.000000 0.000000\n0.000000 4.394494 0.000000\n0.000000 0.000000 11.424319\nSn S\n4 4\ndirect\n0.250000 0.372715 0.621014 Sn\n0.750000 0.627284 0.378986 Sn\n0.750000 0.872715 0.878986 Sn\n0.250000 0.127284 0.121014 Sn\n0.250000 0.027870 0.350891 S\n0.750000 0.972129 0.649109 S\n0.750000 0.527870 0.149109 S\n0.250000 0.472130 0.850891 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 4.9454542097543905,
"density_atomic": 0.039505516675267936,
"volume": 202.5033634102127,
"volume_molar": 15.243796985371683,
"formula_full": "Sn4 S4",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4932308500000002,
"spacegroup": 62
},
{
"id": "jvasp-110900",
"created_at": "2022-09-04T14:38:48.644478Z",
"updated_at": "2022-09-04T14:38:48.644505Z",
"structure_string": "Th2 Mn4 Si2 C2\n1.0\n5.729012 0.066673 0.000000\n-4.389283 3.682420 0.000000\n0.000000 0.000000 6.758043\nTh Mn Si C\n2 4 2 2\ndirect\n0.556119 0.443881 0.250000 Th\n0.443881 0.556119 0.750000 Th\n0.834229 0.165770 0.071661 Mn\n0.165771 0.834230 0.928338 Mn\n0.165771 0.834230 0.571661 Mn\n0.834229 0.165770 0.428338 Mn\n0.272542 0.727458 0.250000 Si\n0.727458 0.272541 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Th",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Th",
"density": 8.776820311261359,
"density_atomic": 0.06918038654961646,
"volume": 144.54964042197074,
"volume_molar": 8.704982814284936,
"formula_full": "Th2 Mn4 Si2 C2",
"formula_reduced": "ThMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.377457736551724,
"spacegroup": 63
},
{
"id": "jvasp-110901",
"created_at": "2022-09-04T14:38:37.478582Z",
"updated_at": "2022-09-04T14:38:37.478609Z",
"structure_string": "La2 Si2 Os4 C2\n1.0\n5.962674 0.000235 0.000000\n-4.590996 3.804764 0.000000\n0.000000 0.000000 7.231671\nLa Si Os C\n2 2 4 2\ndirect\n0.550492 0.449506 0.250000 La\n0.449505 0.550492 0.750000 La\n0.271018 0.728979 0.250000 Si\n0.728979 0.271019 0.750000 Si\n0.834107 0.165890 0.059194 Os\n0.165889 0.834108 0.940806 Os\n0.165889 0.834108 0.559194 Os\n0.834107 0.165890 0.440806 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Si",
"Os",
"C"
],
"chemical_system": "C-La-Os-Si",
"density": 11.324559770827188,
"density_atomic": 0.060949745680094994,
"volume": 164.06959353836658,
"volume_molar": 9.880501867240302,
"formula_full": "La2 Si2 Os4 C2",
"formula_reduced": "LaSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.79678472,
"spacegroup": 63
},
{
"id": "jvasp-110902",
"created_at": "2022-09-04T14:38:37.456577Z",
"updated_at": "2022-09-04T14:38:37.456611Z",
"structure_string": "Y3 Mg3 Au3\n1.0\n7.529226 -0.000000 0.000000\n-3.764613 6.520501 0.000000\n-0.000000 -0.000000 4.131184\nY Mg Au\n3 3 3\ndirect\n0.589264 0.000000 -0.000000 Y\n0.000000 0.589264 -0.000000 Y\n0.410736 0.410736 -0.000000 Y\n0.246587 0.000000 0.500000 Mg\n0.000000 0.246587 0.500000 Mg\n0.753413 0.753413 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Au"
],
"chemical_system": "Au-Mg-Y",
"density": 7.618591579286829,
"density_atomic": 0.044374826878617366,
"volume": 202.8176926665775,
"volume_molar": 13.571074376183883,
"formula_full": "Y3 Mg3 Au3",
"formula_reduced": "YMgAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4785306899999998,
"spacegroup": 189
},
{
"id": "jvasp-110903",
"created_at": "2022-09-04T14:38:38.210338Z",
"updated_at": "2022-09-04T14:38:38.210367Z",
"structure_string": "Er3 Mg3 Tl3\n1.0\n7.469553 -0.000000 0.000000\n-3.734776 6.468822 0.000000\n-0.000000 -0.000000 4.601357\nEr Mg Tl\n3 3 3\ndirect\n0.569779 0.000000 -0.000000 Er\n-0.000000 0.569779 -0.000000 Er\n0.430221 0.430221 -0.000000 Er\n0.243620 0.000000 0.500000 Mg\n-0.000000 0.243620 0.500000 Mg\n0.756379 0.756380 0.500000 Mg\n0.333333 0.666666 0.500000 Tl\n0.666666 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Tl"
],
"chemical_system": "Er-Mg-Tl",
"density": 8.87160085727129,
"density_atomic": 0.04047965157041399,
"volume": 222.33392953851344,
"volume_molar": 14.87695799338722,
"formula_full": "Er3 Mg3 Tl3",
"formula_reduced": "ErMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155815083333332,
"spacegroup": 189
},
{
"id": "jvasp-110904",
"created_at": "2022-09-04T14:38:37.303994Z",
"updated_at": "2022-09-04T14:38:37.304013Z",
"structure_string": "Ba2 Zr1 U1 O6\n1.0\n5.304394 -0.000000 3.062493\n1.768131 5.001031 3.062493\n-0.000000 -0.000000 6.124987\nBa Zr U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500000 0.500000 U\n0.755682 0.244317 0.244317 O\n0.244317 0.755682 0.755683 O\n0.244317 0.755682 0.244317 O\n0.755682 0.244317 0.755683 O\n0.244317 0.244317 0.755683 O\n0.755682 0.755682 0.244317 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"U",
"O"
],
"chemical_system": "Ba-O-U-Zr",
"density": 7.152974088528546,
"density_atomic": 0.06154595386702462,
"volume": 162.48021797835597,
"volume_molar": 9.784787433811424,
"formula_full": "Ba2 Zr1 U1 O6",
"formula_reduced": "Ba2ZrUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.561437344,
"spacegroup": 225
},
{
"id": "jvasp-110905",
"created_at": "2022-09-04T14:38:38.296205Z",
"updated_at": "2022-09-04T14:38:38.296226Z",
"structure_string": "Er2 Al4 Ni1 Ge2\n1.0\n4.033647 -0.000634 -9.216456\n-0.177190 4.029752 -9.216456\n0.000607 0.000634 10.060485\nEr Al Ni Ge\n2 4 1 2\ndirect\n0.186590 0.186590 0.000000 Er\n0.813410 0.813410 0.000000 Er\n0.567834 0.067834 0.500001 Al\n0.432167 0.932166 0.500000 Al\n0.067834 0.567833 0.500000 Al\n0.932168 0.432167 0.500001 Al\n0.000000 0.000000 0.000000 Ni\n0.335855 0.335855 0.000000 Ge\n0.664146 0.664146 0.000000 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Er",
"Al",
"Ni",
"Ge"
],
"chemical_system": "Al-Er-Ge-Ni",
"density": 6.562131153766023,
"density_atomic": 0.05502058153341375,
"volume": 163.57515222797747,
"volume_molar": 10.945251017281201,
"formula_full": "Er2 Al4 Ni1 Ge2",
"formula_reduced": "Er2Al4NiGe2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.5213283888888889,
"spacegroup": 139
},
{
"id": "jvasp-110906",
"created_at": "2022-09-04T14:38:48.136579Z",
"updated_at": "2022-09-04T14:38:48.136605Z",
"structure_string": "Lu6 Fe1 Bi2\n1.0\n8.103195 -0.000000 0.000000\n-4.051597 7.017573 0.000000\n0.000000 -0.000000 4.074705\nLu Fe Bi\n6 1 2\ndirect\n0.229101 0.000000 0.500001 Lu\n-0.000000 0.229101 0.500001 Lu\n0.770898 0.770898 0.500001 Lu\n0.619066 0.000000 -0.000000 Lu\n-0.000000 0.619066 -0.000000 Lu\n0.380933 0.380933 -0.000000 Lu\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666666 0.500001 Bi\n0.666666 0.333333 0.500001 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"Bi"
],
"chemical_system": "Bi-Fe-Lu",
"density": 10.919000437109215,
"density_atomic": 0.03884213631102919,
"volume": 231.7071318614486,
"volume_molar": 15.50414403517249,
"formula_full": "Lu6 Fe1 Bi2",
"formula_reduced": "Lu6FeBi2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.6945798444444444,
"spacegroup": 189
},
{
"id": "jvasp-110907",
"created_at": "2022-09-04T14:38:38.251027Z",
"updated_at": "2022-09-04T14:38:38.251046Z",
"structure_string": "Er2 Re4 Si2 C2\n1.0\n5.813350 -0.011281 0.000000\n-4.484477 3.699275 0.000000\n-0.000000 -0.000000 7.271735\nEr Re Si C\n2 4 2 2\ndirect\n0.542166 0.457834 0.250000 Er\n0.457834 0.542167 0.750000 Er\n0.827070 0.172931 0.060646 Re\n0.172931 0.827071 0.939355 Re\n0.172931 0.827071 0.560646 Re\n0.827070 0.172931 0.439354 Re\n0.264945 0.735056 0.250000 Si\n0.735055 0.264945 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Re",
"Si",
"C"
],
"chemical_system": "C-Er-Re-Si",
"density": 12.341727434124195,
"density_atomic": 0.06409759250364988,
"volume": 156.01209982154282,
"volume_molar": 9.39526825388502,
"formula_full": "Er2 Re4 Si2 C2",
"formula_reduced": "ErRe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 5.10718492,
"spacegroup": 63
},
{
"id": "jvasp-110908",
"created_at": "2022-09-04T14:38:43.261131Z",
"updated_at": "2022-09-04T14:38:43.261148Z",
"structure_string": "K2 Ce1 Cu2 S4\n1.0\n7.074150 0.012441 2.457444\n5.956528 3.816218 2.457444\n0.010244 0.003010 7.495934\nK Ce Cu S\n2 1 2 4\ndirect\n0.864231 0.864232 0.560358 K\n0.135768 0.135769 0.439641 K\n0.000000 0.000000 0.000000 Ce\n0.680193 0.680193 0.012900 Cu\n0.319807 0.319807 0.987099 Cu\n0.798104 0.798105 0.177361 S\n0.201895 0.201896 0.822637 S\n0.521619 0.521620 0.239533 S\n0.478380 0.478381 0.760466 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Ce",
"Cu",
"S"
],
"chemical_system": "Ce-Cu-K-S",
"density": 3.8994604799738117,
"density_atomic": 0.04461973707960705,
"volume": 201.70446060546934,
"volume_molar": 13.496585040955681,
"formula_full": "K2 Ce1 Cu2 S4",
"formula_reduced": "K2Ce(CuS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.7803758222222223,
"spacegroup": 12
},
{
"id": "jvasp-110909",
"created_at": "2022-09-04T14:38:38.484850Z",
"updated_at": "2022-09-04T14:38:38.484869Z",
"structure_string": "Ho2 Al2 Si2\n1.0\n5.505620 -0.013160 0.000000\n-4.048849 3.730797 0.000000\n0.000000 -0.000000 5.689300\nHo Al Si\n2 2 2\ndirect\n0.693294 0.306706 0.250000 Ho\n0.306706 0.693295 0.750000 Ho\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.397899 0.602102 0.250000 Si\n0.602101 0.397899 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Si"
],
"chemical_system": "Al-Ho-Si",
"density": 6.268417602910399,
"density_atomic": 0.051476926905567245,
"volume": 116.5570744152386,
"volume_molar": 11.698718478372694,
"formula_full": "Ho2 Al2 Si2",
"formula_reduced": "HoAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6345489888888889,
"spacegroup": 63
},
{
"id": "jvasp-110910",
"created_at": "2022-09-04T14:38:37.059774Z",
"updated_at": "2022-09-04T14:38:37.059794Z",
"structure_string": "Zr6 Co1 Sn2\n1.0\n7.949386 -0.000000 0.000000\n-3.974693 6.884370 0.000000\n-0.000000 -0.000000 3.511775\nZr Co Sn\n6 1 2\ndirect\n0.240919 0.000000 0.499999 Zr\n0.000000 0.240919 0.499999 Zr\n0.759081 0.759081 0.499999 Zr\n0.603889 0.000000 -0.000000 Zr\n0.000000 0.603888 -0.000000 Zr\n0.396112 0.396112 -0.000000 Zr\n0.000000 0.000000 0.000000 Co\n0.333334 0.666667 0.499999 Sn\n0.666667 0.333333 0.499999 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Zr",
"density": 7.289726438444847,
"density_atomic": 0.046829340064881035,
"volume": 192.18720544707006,
"volume_molar": 12.859760038592162,
"formula_full": "Zr6 Co1 Sn2",
"formula_reduced": "Zr6CoSn2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.8928601444444455,
"spacegroup": 189
}
]
}