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=-formula_reduced&page=79",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=77",
"results": [
{
"id": "jvasp-50202",
"created_at": "2022-09-04T14:36:45.006082Z",
"updated_at": "2022-09-04T14:36:45.006099Z",
"structure_string": "Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 6.5883553196014555,
"density_atomic": 0.08760015668328895,
"volume": 228.31009392264363,
"volume_molar": 6.874577612654902,
"formula_full": "Zr8 N8 O4",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0890578,
"spacegroup": 62
},
{
"id": "jvasp-43383",
"created_at": "2022-09-04T14:38:14.283889Z",
"updated_at": "2022-09-04T14:38:14.283918Z",
"structure_string": "Zr8 N8 O4\n1.0\n5.562541 -0.037658 0.025577\n0.024312 3.159840 9.813306\n2.813884 -4.798473 0.025577\nZr N O\n8 8 4\ndirect\n0.414734 0.712971 0.145877 Zr\n0.323692 0.038507 0.381807 Zr\n0.168974 0.463014 0.666023 Zr\n0.046989 0.786988 0.868012 Zr\n0.906699 0.211494 0.137801 Zr\n0.563628 0.287477 0.859748 Zr\n0.677728 0.962524 0.648894 Zr\n0.817092 0.537031 0.372296 Zr\n0.881322 0.367864 0.944870 N\n0.833035 0.630386 0.746006 N\n0.587038 0.375714 0.545187 N\n0.672992 0.882138 0.250814 N\n0.080527 0.874287 0.537247 N\n0.623868 0.122445 0.042777 N\n0.134379 0.619615 0.036578 N\n0.329669 0.127556 0.753687 N\n0.379851 0.866138 0.931038 O\n0.185099 0.383863 0.254011 O\n0.440632 0.625001 0.434368 O\n0.932036 0.125001 0.442964 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.760674840861152,
"density_atomic": 0.07659514312464924,
"volume": 261.11316180260206,
"volume_molar": 7.8623010733196255,
"formula_full": "Zr8 N8 O4",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0903718,
"spacegroup": 5
},
{
"id": "jvasp-36536",
"created_at": "2022-09-04T14:37:16.504245Z",
"updated_at": "2022-09-04T14:37:16.504277Z",
"structure_string": "Zr4 N2\n1.0\n5.425948 -0.000000 0.000000\n0.000000 5.425948 0.000000\n0.000000 0.000000 3.309769\nZr N\n4 2\ndirect\n0.295827 0.295827 0.000000 Zr\n0.704173 0.704173 0.000000 Zr\n0.204173 0.795828 0.500000 Zr\n0.795828 0.204173 0.500000 Zr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.695647441310887,
"density_atomic": 0.0615747010148026,
"volume": 97.44261687210785,
"volume_molar": 9.780219247109738,
"formula_full": "Zr4 N2",
"formula_reduced": "Zr2N",
"formula_anonymous": "AB2",
"energy_above_hull": 3.623644083333334,
"spacegroup": 136
},
{
"id": "jvasp-71055",
"created_at": "2022-09-04T14:35:59.925332Z",
"updated_at": "2022-09-04T14:35:59.925356Z",
"structure_string": "Zr2 Mn1 Be1\n1.0\n3.150840 0.000000 0.000000\n0.000000 3.150840 -0.000000\n0.000000 0.000000 6.497393\nZr Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.958011 Zr\n0.500000 0.500000 0.309972 Zr\n0.500000 0.500000 0.674385 Mn\n0.000000 0.000000 0.557629 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Zr",
"density": 6.343001867995255,
"density_atomic": 0.0620109171535734,
"volume": 64.5047708308165,
"volume_molar": 9.711420240867977,
"formula_full": "Zr2 Mn1 Be1",
"formula_reduced": "Zr2MnBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.678300585344827,
"spacegroup": 99
},
{
"id": "jvasp-81078",
"created_at": "2022-09-04T14:37:19.287017Z",
"updated_at": "2022-09-04T14:37:19.287036Z",
"structure_string": "Zr2 Ir1 Rh1\n1.0\n-8.792368 0.000000 -5.076276\n-5.851538 0.272835 -0.017390\n-5.009918 2.653297 -1.475120\nZr Ir Rh\n2 1 1\ndirect\n0.752099 -0.000001 -0.000000 Zr\n0.247902 -0.000000 0.000000 Zr\n0.500000 -0.000001 -0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Zr",
"density": 10.572552369684432,
"density_atomic": 0.05332774833011167,
"volume": 75.0078547333188,
"volume_molar": 11.29269648274195,
"formula_full": "Zr2 Ir1 Rh1",
"formula_reduced": "Zr2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.050068275,
"spacegroup": 71
},
{
"id": "jvasp-93855",
"created_at": "2022-09-04T14:36:31.644284Z",
"updated_at": "2022-09-04T14:36:31.644311Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.260140 3.260140 -2.870664\n3.260140 -3.260140 -2.870664\n-3.260140 -3.260140 2.870664\nZr Ir\n4 2\ndirect\n0.831305 0.331305 0.162612 Zr\n0.168694 0.668694 0.837388 Zr\n0.668693 0.831305 0.500000 Zr\n0.331306 0.168694 0.500000 Zr\n0.749999 0.749999 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 10.195472620342674,
"density_atomic": 0.04916277575085554,
"volume": 122.04355649905683,
"volume_molar": 12.249391268138885,
"formula_full": "Zr4 Ir2",
"formula_reduced": "Zr2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 3.679520033333334,
"spacegroup": 140
},
{
"id": "jvasp-23344",
"created_at": "2022-09-04T14:37:59.021761Z",
"updated_at": "2022-09-04T14:37:59.021788Z",
"structure_string": "Zr4 In2 Ni4\n1.0\n7.198312 0.000000 -0.000000\n0.000000 7.198312 -0.000000\n0.000000 -0.000000 3.345992\nZr In Ni\n4 2 4\ndirect\n0.168815 0.668814 0.500000 Zr\n0.668814 0.831185 0.500000 Zr\n0.331185 0.168815 0.500000 Zr\n0.831185 0.331185 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.124808 0.375192 0.000000 Ni\n0.375192 0.875191 0.000000 Ni\n0.624808 0.124808 0.000000 Ni\n0.875191 0.624808 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ni"
],
"chemical_system": "In-Ni-Zr",
"density": 7.9428701743511665,
"density_atomic": 0.057678474913082166,
"volume": 173.3749031171398,
"volume_molar": 10.44088070822779,
"formula_full": "Zr4 In2 Ni4",
"formula_reduced": "Zr2InNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.0660427539999997,
"spacegroup": 127
},
{
"id": "jvasp-23739",
"created_at": "2022-09-04T14:37:40.894380Z",
"updated_at": "2022-09-04T14:37:40.894389Z",
"structure_string": "Zr4 In2 Co4\n1.0\n7.190399 0.000000 0.000000\n0.000000 7.190399 0.000000\n0.000000 -0.000000 3.293388\nZr In Co\n4 2 4\ndirect\n0.668192 0.168192 0.500000 Zr\n0.168192 0.331808 0.500000 Zr\n0.831808 0.668192 0.500000 Zr\n0.331808 0.831808 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.373099 0.126901 0.000000 Co\n0.126901 0.626901 0.000000 Co\n0.626901 0.873099 0.000000 Co\n0.873099 0.373099 0.000000 Co\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"In",
"Co"
],
"chemical_system": "Co-In-Zr",
"density": 8.096863791921091,
"density_atomic": 0.05872879912640246,
"volume": 170.27421211996725,
"volume_molar": 10.254152731845409,
"formula_full": "Zr4 In2 Co4",
"formula_reduced": "Zr2InCo2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.052654154,
"spacegroup": 127
},
{
"id": "jvasp-14086",
"created_at": "2022-09-04T14:38:04.687424Z",
"updated_at": "2022-09-04T14:38:04.687453Z",
"structure_string": "Zr4 In2 C2\n1.0\n1.686282 -2.920725 -0.000000\n1.686282 2.920725 0.000000\n0.000000 -0.000000 15.027663\nZr In C\n4 2 2\ndirect\n0.333332 0.666667 0.917378 Zr\n0.333332 0.666667 0.582622 Zr\n0.666667 0.333332 0.417378 Zr\n0.666667 0.333332 0.082622 Zr\n0.333332 0.666667 0.250000 In\n0.666667 0.333332 0.750000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"In",
"C"
],
"chemical_system": "C-In-Zr",
"density": 6.938793782536513,
"density_atomic": 0.054044023203155225,
"volume": 148.02746956730897,
"volume_molar": 11.143028226011888,
"formula_full": "Zr4 In2 C2",
"formula_reduced": "Zr2InC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3461447425,
"spacegroup": 194
},
{
"id": "jvasp-17578",
"created_at": "2022-09-04T14:38:31.759899Z",
"updated_at": "2022-09-04T14:38:31.759926Z",
"structure_string": "Zr4 In2 C2\n1.0\n1.686279 -2.920721 -0.000000\n1.686279 2.920721 0.000000\n-0.000000 0.000000 15.027607\nZr In C\n4 2 2\ndirect\n0.333333 0.666667 0.917378 Zr\n0.333333 0.666667 0.582622 Zr\n0.666667 0.333333 0.417378 Zr\n0.666667 0.333333 0.082622 Zr\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"In",
"C"
],
"chemical_system": "C-In-Zr",
"density": 6.938841487291476,
"density_atomic": 0.05404439476008067,
"volume": 148.026451873768,
"volume_molar": 11.142951617339959,
"formula_full": "Zr4 In2 C2",
"formula_reduced": "Zr2InC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3461447425,
"spacegroup": 194
},
{
"id": "jvasp-117171",
"created_at": "2022-09-04T14:38:45.890427Z",
"updated_at": "2022-09-04T14:38:45.890449Z",
"structure_string": "Zr8 In4 Au8\n1.0\n7.618524 -0.000000 0.000000\n0.000000 7.618524 0.000000\n-0.000000 -0.000000 7.101968\nZr In Au\n8 4 8\ndirect\n0.145941 0.145941 -0.000000 Zr\n0.854059 0.854059 -0.000000 Zr\n0.645940 0.354059 0.500000 Zr\n0.354059 0.645940 0.500000 Zr\n0.695527 0.304472 -0.000000 Zr\n0.304472 0.695527 -0.000000 Zr\n0.804472 0.804472 0.500000 Zr\n0.195528 0.195528 0.500000 Zr\n-0.000000 0.500000 0.750000 In\n-0.000000 0.500000 0.250000 In\n0.500000 0.000000 0.750000 In\n0.500000 0.000000 0.250000 In\n0.370059 0.370059 0.205393 Au\n0.629941 0.629941 0.794608 Au\n0.629941 0.629941 0.205393 Au\n0.870058 0.129941 0.705393 Au\n0.870058 0.129941 0.294607 Au\n0.370059 0.370059 0.794608 Au\n0.129941 0.870058 0.294607 Au\n0.129941 0.870058 0.705393 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"In",
"Au"
],
"chemical_system": "Au-In-Zr",
"density": 11.137606900891042,
"density_atomic": 0.048518750113004314,
"volume": 412.2117728387127,
"volume_molar": 12.411986594819364,
"formula_full": "Zr8 In4 Au8",
"formula_reduced": "Zr2InAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.802022822,
"spacegroup": 136
},
{
"id": "jvasp-104666",
"created_at": "2022-09-04T14:36:43.547170Z",
"updated_at": "2022-09-04T14:36:43.547204Z",
"structure_string": "Zr2 H1 N2 Cl2\n1.0\n3.661701 -0.022887 8.464211\n1.733929 3.225224 8.464211\n-0.038562 -0.022887 9.222227\nZr H N Cl\n2 1 2 2\ndirect\n0.881448 0.881444 0.881447 Zr\n0.124236 0.124235 0.124235 Zr\n0.759430 0.759427 0.759430 H\n0.798069 0.798065 0.798069 N\n0.201202 0.201201 0.201202 N\n0.613240 0.613236 0.613239 Cl\n0.387482 0.387480 0.387482 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Zr",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Zr",
"density": 4.235258698989105,
"density_atomic": 0.06322693346521928,
"volume": 110.71231224349437,
"volume_molar": 9.524644688505635,
"formula_full": "Zr2 H1 N2 Cl2",
"formula_reduced": "Zr2H(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.3300762335714285,
"spacegroup": 160
}
]
}