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=nelements&page=417",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=415",
"results": [
{
"id": "jvasp-102341",
"created_at": "2022-09-04T14:36:52.310002Z",
"updated_at": "2022-09-04T14:36:52.310037Z",
"structure_string": "In2 Te3\n1.0\n4.507653 0.000000 0.000000\n-2.253827 3.903741 0.000000\n-0.000000 -0.000000 10.827854\nIn Te\n2 3\ndirect\n0.000000 0.000000 0.971754 In\n0.666666 0.333333 0.381262 In\n0.000000 0.000000 0.249781 Te\n0.666666 0.333333 0.631034 Te\n0.333333 0.666666 0.849501 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Te"
],
"chemical_system": "In-Te",
"density": 5.337476120039635,
"density_atomic": 0.026241952227763623,
"volume": 190.53460491822972,
"volume_molar": 22.948524209371353,
"formula_full": "In2 Te3",
"formula_reduced": "In2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3685335533333332,
"spacegroup": 156
},
{
"id": "jvasp-102326",
"created_at": "2022-09-04T14:36:50.118653Z",
"updated_at": "2022-09-04T14:36:50.118680Z",
"structure_string": "Si1 Ag3\n1.0\n2.925298 -0.000000 0.000000\n-1.462649 2.533383 0.000000\n0.000000 -0.000000 9.272577\nSi Ag\n1 3\ndirect\n0.333333 0.666666 0.500000 Si\n0.333333 0.666666 -0.000000 Ag\n0.666667 0.333333 0.742266 Ag\n0.666667 0.333333 0.257735 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ag"
],
"chemical_system": "Ag-Si",
"density": 8.49841286806329,
"density_atomic": 0.058208790689028414,
"volume": 68.7181429583272,
"volume_molar": 10.34575824152123,
"formula_full": "Si1 Ag3",
"formula_reduced": "SiAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6277500949999999,
"spacegroup": 187
},
{
"id": "jvasp-102664",
"created_at": "2022-09-04T14:36:49.970252Z",
"updated_at": "2022-09-04T14:36:49.970270Z",
"structure_string": "Ti4 Te6\n1.0\n6.042677 0.000220 4.357458\n2.230139 5.616086 4.357458\n0.000323 0.000220 7.449925\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.160141 0.160141 0.160141 Ti\n0.839858 0.839859 0.839858 Ti\n0.000000 0.000000 0.000000 Ti\n0.923090 0.574517 0.264276 Te\n0.264276 0.923090 0.574516 Te\n0.574516 0.264277 0.923089 Te\n0.425483 0.735724 0.076911 Te\n0.735724 0.076911 0.425483 Te\n0.076910 0.425484 0.735723 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.2864142772261555,
"density_atomic": 0.03955588491749006,
"volume": 252.8068837509028,
"volume_molar": 15.224386390448936,
"formula_full": "Ti4 Te6",
"formula_reduced": "Ti2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.062955993333333,
"spacegroup": 148
},
{
"id": "jvasp-101587",
"created_at": "2022-09-04T14:36:52.323435Z",
"updated_at": "2022-09-04T14:36:52.323454Z",
"structure_string": "Mg3 Tl1\n1.0\n4.104257 -0.018367 -3.761459\n-0.806636 4.024251 -3.761459\n0.015120 0.018367 5.567160\nMg Tl\n3 1\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl",
"density": 4.981386458422983,
"density_atomic": 0.04327269289851106,
"volume": 92.43704821840736,
"volume_molar": 13.916722895253908,
"formula_full": "Mg3 Tl1",
"formula_reduced": "Mg3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-101222",
"created_at": "2022-09-04T14:36:51.208630Z",
"updated_at": "2022-09-04T14:36:51.208662Z",
"structure_string": "Cd3 Ag1\n1.0\n3.149810 -0.000000 0.000000\n-1.574905 2.727816 0.000000\n-0.000000 -0.000000 9.656256\nCd Ag\n3 1\ndirect\n0.333335 0.666668 0.500000 Cd\n0.000000 0.000000 0.237997 Cd\n0.000000 0.000000 0.762003 Cd\n0.333335 0.666668 -0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd",
"density": 8.908399026522405,
"density_atomic": 0.04821162729060661,
"volume": 82.96753760019519,
"volume_molar": 12.4910547484742,
"formula_full": "Cd3 Ag1",
"formula_reduced": "Cd3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-7841",
"created_at": "2022-09-04T14:37:02.685271Z",
"updated_at": "2022-09-04T14:37:02.685285Z",
"structure_string": "La3 Sn1\n1.0\n5.028823 0.000000 -0.000000\n-0.000000 5.028823 -0.000000\n0.000000 -0.000000 5.028823\nLa Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Sn"
],
"chemical_system": "La-Sn",
"density": 6.9911695785061605,
"density_atomic": 0.03145291790395132,
"volume": 127.17421042508408,
"volume_molar": 19.146524905542897,
"formula_full": "La3 Sn1",
"formula_reduced": "La3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.389639175,
"spacegroup": 221
},
{
"id": "jvasp-18649",
"created_at": "2022-09-04T14:37:00.695085Z",
"updated_at": "2022-09-04T14:37:00.695121Z",
"structure_string": "Mg2 Cd6\n1.0\n3.126094 -5.414555 -0.000000\n3.126094 5.414555 0.000000\n-0.000000 0.000000 5.109008\nMg Cd\n2 6\ndirect\n0.666666 0.333332 0.250000 Mg\n0.333332 0.666666 0.750000 Mg\n0.167360 0.334720 0.250000 Cd\n0.832639 0.665279 0.750000 Cd\n0.832639 0.167360 0.750000 Cd\n0.665279 0.832639 0.250000 Cd\n0.167360 0.832639 0.250000 Cd\n0.334720 0.167360 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.942272608584727,
"density_atomic": 0.04625499157226884,
"volume": 172.95430672602745,
"volume_molar": 13.019439751904402,
"formula_full": "Mg2 Cd6",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1734048529411764,
"spacegroup": 194
},
{
"id": "jvasp-56519",
"created_at": "2022-09-04T14:37:00.695793Z",
"updated_at": "2022-09-04T14:37:00.695817Z",
"structure_string": "Li8 Ca4\n1.0\n3.058545 -5.297557 -0.000000\n3.058545 5.297557 -0.000000\n-0.000000 -0.000000 9.949728\nLi Ca\n8 4\ndirect\n0.167232 0.832769 0.250000 Li\n0.167232 0.334463 0.250000 Li\n0.334463 0.167232 0.750000 Li\n0.832769 0.167232 0.750000 Li\n0.665539 0.832770 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.832770 0.665539 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.562115 Ca\n0.666668 0.333334 0.437886 Ca\n0.666668 0.333334 0.062114 Ca\n0.333334 0.666668 0.937886 Ca\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 1.1116019829694657,
"density_atomic": 0.03721769984905833,
"volume": 322.4272335116814,
"volume_molar": 16.18085154220612,
"formula_full": "Li8 Ca4",
"formula_reduced": "Li2Ca",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3416022222222222,
"spacegroup": 194
},
{
"id": "jvasp-8643",
"created_at": "2022-09-04T14:37:01.824056Z",
"updated_at": "2022-09-04T14:37:01.824067Z",
"structure_string": "Mo1 O2\n1.0\n2.701935 -0.073717 4.315593\n1.183928 2.429856 4.315593\n-0.121578 -0.073717 5.090187\nMo O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.253078 0.253077 0.253077 O\n0.746921 0.746920 0.746925 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 5.957678098749466,
"density_atomic": 0.08412923083342301,
"volume": 35.659425033137886,
"volume_molar": 7.158202565674134,
"formula_full": "Mo1 O2",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6139143,
"spacegroup": 166
},
{
"id": "jvasp-107219",
"created_at": "2022-09-04T14:37:00.697237Z",
"updated_at": "2022-09-04T14:37:00.697264Z",
"structure_string": "Sr3 Ca1\n1.0\n5.814937 -0.000000 0.000000\n0.000000 5.814937 0.000000\n0.000000 -0.000000 5.814937\nSr Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.558396249372458,
"density_atomic": 0.020343466107126004,
"volume": 196.6233275557139,
"volume_molar": 29.602333881002394,
"formula_full": "Sr3 Ca1",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-9106",
"created_at": "2022-09-04T14:37:05.301923Z",
"updated_at": "2022-09-04T14:37:05.301945Z",
"structure_string": "K3 Ga9\n1.0\n5.879101 -0.000000 -2.295969\n-0.896646 5.810324 -2.295969\n-0.007470 -0.008711 8.655924\nK Ga\n3 9\ndirect\n0.127237 0.627237 0.254473 K\n0.372762 0.872763 0.745526 K\n0.000000 0.000000 0.000000 K\n0.778105 0.983599 0.556209 Ga\n0.016400 0.221895 0.443790 Ga\n0.700074 0.393828 0.787655 Ga\n0.606172 0.299925 0.212344 Ga\n0.606171 0.912419 0.212344 Ga\n0.087580 0.393828 0.787655 Ga\n0.778105 0.572610 0.556209 Ga\n0.427390 0.221895 0.443790 Ga\n0.500000 0.500000 -0.000000 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 4.186110781197298,
"density_atomic": 0.040616461966655304,
"volume": 295.44670852551315,
"volume_molar": 14.826847215161104,
"formula_full": "K3 Ga9",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-106956",
"created_at": "2022-09-04T14:36:52.356538Z",
"updated_at": "2022-09-04T14:36:52.356559Z",
"structure_string": "Li3 Pm1\n1.0\n4.441355 0.000000 2.564217\n1.480452 4.187350 2.564217\n0.000000 0.000000 5.128435\nLi Pm\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.750001 Li\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pm"
],
"chemical_system": "Li-Pm",
"density": 2.887049692118853,
"density_atomic": 0.041939223468548274,
"volume": 95.37611021815277,
"volume_molar": 14.359209021874758,
"formula_full": "Li3 Pm1",
"formula_reduced": "Li3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.96037779375,
"spacegroup": 225
}
]
}