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=4377",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4375",
"results": [
{
"id": "jvasp-93345",
"created_at": "2022-09-04T14:35:56.461380Z",
"updated_at": "2022-09-04T14:35:56.461409Z",
"structure_string": "Ta4 Si2\n1.0\n-3.097108 3.097108 -2.552367\n3.097108 -3.097108 -2.552367\n-3.097108 -3.097108 2.552367\nTa Si\n4 2\ndirect\n0.837341 0.337340 0.174679 Ta\n0.162660 0.662661 0.825322 Ta\n0.662661 0.837341 0.500000 Ta\n0.337340 0.162660 0.500000 Ta\n0.750001 0.750001 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 13.225345274206742,
"density_atomic": 0.06126824468570415,
"volume": 97.93001302353277,
"volume_molar": 9.829138717605794,
"formula_full": "Ta4 Si2",
"formula_reduced": "Ta2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 4.747175666666666,
"spacegroup": 140
},
{
"id": "jvasp-93346",
"created_at": "2022-09-04T14:35:57.794841Z",
"updated_at": "2022-09-04T14:35:57.794877Z",
"structure_string": "U1 Pt5\n1.0\n-3.743158 -3.743158 0.000000\n-3.743158 0.000000 -3.743158\n0.000000 -3.743158 -3.743158\nU Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.750000 0.750000 Pt\n0.874177 0.375274 0.375274 Pt\n0.375274 0.874177 0.375274 Pt\n0.375274 0.375274 0.874177 Pt\n0.375274 0.375274 0.375274 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Pt"
],
"chemical_system": "Pt-U",
"density": 19.209944937803172,
"density_atomic": 0.057201415647871845,
"volume": 104.89250890110142,
"volume_molar": 10.527957554533094,
"formula_full": "U1 Pt5",
"formula_reduced": "UPt5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.4348355,
"spacegroup": 216
},
{
"id": "jvasp-93347",
"created_at": "2022-09-04T14:36:00.331801Z",
"updated_at": "2022-09-04T14:36:00.331820Z",
"structure_string": "Ti2 N2 Cl2\n1.0\n0.000000 -3.274093 0.000000\n-3.953749 0.000000 0.000000\n0.000000 0.000000 -7.803529\nTi N Cl\n2 2 2\ndirect\n0.000000 0.500000 0.099523 Ti\n0.500000 0.000000 0.900477 Ti\n0.000000 0.000000 0.049131 N\n0.500000 0.500000 0.950869 N\n0.500000 0.500000 0.334527 Cl\n0.000000 0.000000 0.665473 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ti",
"density": 3.199778650092636,
"density_atomic": 0.05939639617399883,
"volume": 101.01622971237673,
"volume_molar": 10.13889923954045,
"formula_full": "Ti2 N2 Cl2",
"formula_reduced": "TiNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.132121883611111,
"spacegroup": 59
},
{
"id": "jvasp-93348",
"created_at": "2022-09-04T14:36:03.544968Z",
"updated_at": "2022-09-04T14:36:03.544979Z",
"structure_string": "Pu1 B2 Ru3\n1.0\n-0.000058 -0.000018 2.914915\n5.523503 -0.000041 -0.000055\n-2.761786 4.783409 0.000027\nPu B Ru\n1 2 3\ndirect\n0.000002 0.999999 0.000001 Pu\n0.000001 0.333334 0.666664 B\n1.000000 0.666666 0.333335 B\n0.500000 0.499999 0.500000 Ru\n0.500000 -0.000000 0.500000 Ru\n0.500001 0.499999 1.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"B",
"Ru"
],
"chemical_system": "B-Pu-Ru",
"density": 12.264701227173683,
"density_atomic": 0.07790675334183979,
"volume": 77.01514621810973,
"volume_molar": 7.729934186290642,
"formula_full": "Pu1 B2 Ru3",
"formula_reduced": "PuB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.581347777777777,
"spacegroup": 191
},
{
"id": "jvasp-93349",
"created_at": "2022-09-04T14:36:07.249605Z",
"updated_at": "2022-09-04T14:36:07.249642Z",
"structure_string": "Th2 Ge2 S2\n1.0\n3.976383 0.000000 -0.000000\n0.000000 3.976383 -0.000000\n-1.988192 -1.988192 8.603188\nTh Ge S\n2 2 2\ndirect\n0.860003 0.860003 0.720005 Th\n0.139997 0.139997 0.279995 Th\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.687794 0.687794 0.375590 S\n0.312206 0.312206 0.624410 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Ge",
"S"
],
"chemical_system": "Ge-S-Th",
"density": 8.221326896374624,
"density_atomic": 0.04410780238890581,
"volume": 136.03035460930482,
"volume_molar": 13.653232384832474,
"formula_full": "Th2 Ge2 S2",
"formula_reduced": "ThGeS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2916338499999998,
"spacegroup": 139
},
{
"id": "jvasp-9335",
"created_at": "2022-09-04T14:38:09.907801Z",
"updated_at": "2022-09-04T14:38:09.907820Z",
"structure_string": "Mg1 Fe4 S8\n1.0\n6.771532 -0.017941 -0.012687\n3.370228 5.837404 0.000000\n3.370228 1.945801 5.503559\nMg Fe S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.499999 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.257333 0.261621 0.261621 S\n0.257333 0.261621 0.719425 S\n0.257334 0.719424 0.261621 S\n0.726071 0.257976 0.257976 S\n0.273929 0.742023 0.742024 S\n0.742667 0.738378 0.280575 S\n0.742667 0.280575 0.738379 S\n0.742667 0.738378 0.738379 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"S"
],
"chemical_system": "Fe-Mg-S",
"density": 3.839817281602438,
"density_atomic": 0.05962078166941233,
"volume": 218.044776267492,
"volume_molar": 10.100741035888802,
"formula_full": "Mg1 Fe4 S8",
"formula_reduced": "Mg(FeS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.609001619230769,
"spacegroup": 166
},
{
"id": "jvasp-93350",
"created_at": "2022-09-04T14:36:11.384038Z",
"updated_at": "2022-09-04T14:36:11.384048Z",
"structure_string": "Pr2 Zn4\n1.0\n4.615383 0.000000 0.000000\n2.307692 -3.752443 3.784877\n2.307692 -3.752443 -3.784877\nPr Zn\n2 4\ndirect\n0.750000 0.712720 0.787279 Pr\n0.250000 0.287279 0.212720 Pr\n0.553905 0.280911 0.611278 Zn\n0.446095 0.719088 0.388721 Zn\n0.053905 0.111277 0.780912 Zn\n0.946095 0.888722 0.219087 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Zn"
],
"chemical_system": "Pr-Zn",
"density": 6.883449225127981,
"density_atomic": 0.0457664929634272,
"volume": 131.10027907960315,
"volume_molar": 13.158405571544224,
"formula_full": "Pr2 Zn4",
"formula_reduced": "PrZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3939293033333335,
"spacegroup": 74
},
{
"id": "jvasp-93351",
"created_at": "2022-09-04T14:36:13.802775Z",
"updated_at": "2022-09-04T14:36:13.802806Z",
"structure_string": "Hf4 Al2\n1.0\n-0.000000 0.000000 -5.209179\n-3.416189 3.416189 -2.604590\n3.416189 3.416189 -2.604590\nHf Al\n4 2\ndirect\n0.349342 0.500000 0.801315 Hf\n0.650658 0.500000 0.198685 Hf\n0.849342 0.801315 0.500000 Hf\n0.150658 0.198685 0.500000 Hf\n0.750000 -0.000000 -0.000000 Al\n0.250000 -0.000000 -0.000000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 10.487784615175324,
"density_atomic": 0.04934784520235897,
"volume": 121.58585598613296,
"volume_molar": 12.203452319559686,
"formula_full": "Hf4 Al2",
"formula_reduced": "Hf2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 3.658402933333334,
"spacegroup": 140
},
{
"id": "jvasp-93352",
"created_at": "2022-09-04T14:36:16.219956Z",
"updated_at": "2022-09-04T14:36:16.219975Z",
"structure_string": "Ta2 V4\n1.0\n-3.558706 -3.558706 -0.000000\n-3.558706 -0.000000 -3.558706\n-0.000000 -3.558706 -3.558706\nTa V\n2 4\ndirect\n0.750001 0.750001 0.750001 Ta\n0.000000 0.000000 0.000000 Ta\n0.875001 0.375000 0.375000 V\n0.375000 0.875001 0.375000 V\n0.375000 0.375000 0.875001 V\n0.375000 0.375000 0.375000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 10.420764722212793,
"density_atomic": 0.06656484469343797,
"volume": 90.1376699312195,
"volume_molar": 9.04702893507039,
"formula_full": "Ta2 V4",
"formula_reduced": "TaV2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.5317792,
"spacegroup": 227
},
{
"id": "jvasp-93353",
"created_at": "2022-09-04T14:36:18.678501Z",
"updated_at": "2022-09-04T14:36:18.678531Z",
"structure_string": "Mn4 As2\n1.0\n3.577746 0.000000 -0.000000\n-0.000000 3.577746 -0.000000\n0.000000 -0.000000 5.873075\nMn As\n4 2\ndirect\n0.750001 0.250000 0.000000 Mn\n0.250000 0.750001 0.000000 Mn\n0.750001 0.750001 0.311582 Mn\n0.250000 0.250000 0.688417 Mn\n0.750001 0.750001 0.716323 As\n0.250000 0.250000 0.283676 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 8.163775902678157,
"density_atomic": 0.07981172432839462,
"volume": 75.1769248251335,
"volume_molar": 7.545433720014872,
"formula_full": "Mn4 As2",
"formula_reduced": "Mn2As",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2006120775862072,
"spacegroup": 129
},
{
"id": "jvasp-93354",
"created_at": "2022-09-04T14:36:20.069774Z",
"updated_at": "2022-09-04T14:36:20.069783Z",
"structure_string": "Th4 Au2\n1.0\n0.000000 -0.000000 -6.069662\n-3.740771 3.740771 -3.034831\n3.740771 3.740771 -3.034831\nTh Au\n4 2\ndirect\n0.341904 0.500000 0.816192 Th\n0.658096 0.500000 0.183808 Th\n0.841904 0.816192 0.500000 Th\n0.158096 0.183808 0.500000 Th\n0.750000 0.000000 0.000000 Au\n0.250000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Au"
],
"chemical_system": "Au-Th",
"density": 12.923848288196913,
"density_atomic": 0.03532112292038509,
"volume": 169.87002405116584,
"volume_molar": 17.049686595678434,
"formula_full": "Th4 Au2",
"formula_reduced": "Th2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 1.96999959,
"spacegroup": 140
},
{
"id": "jvasp-93355",
"created_at": "2022-09-04T14:36:22.522567Z",
"updated_at": "2022-09-04T14:36:22.522590Z",
"structure_string": "Nd2 Co4\n1.0\n-3.632147 -3.632147 0.000000\n-3.632147 -0.000000 -3.632147\n0.000000 -3.632147 -3.632147\nNd Co\n2 4\ndirect\n0.750001 0.750001 0.750001 Nd\n0.000000 0.000000 0.000000 Nd\n0.875001 0.375000 0.375000 Co\n0.375000 0.875001 0.375000 Co\n0.375000 0.375000 0.875001 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Co"
],
"chemical_system": "Co-Nd",
"density": 9.083218667526676,
"density_atomic": 0.06260816914934535,
"volume": 95.83413924287767,
"volume_molar": 9.618777935567486,
"formula_full": "Nd2 Co4",
"formula_reduced": "NdCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4024411,
"spacegroup": 227
}
]
}