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=-energy_above_hull&page=621",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=619",
"results": [
{
"id": "jvasp-68534",
"created_at": "2022-09-04T14:35:49.719846Z",
"updated_at": "2022-09-04T14:35:49.719871Z",
"structure_string": "Be2 Cr2 Pt1\n1.0\n-1.610595 1.610595 5.436987\n1.610595 -1.610595 5.436987\n1.610595 1.610595 -5.436987\nBe Cr Pt\n2 2 1\ndirect\n0.591939 0.591939 0.000000 Be\n0.408062 0.408062 0.000000 Be\n0.749999 0.250000 0.499998 Cr\n0.250000 0.749999 0.499998 Cr\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Pt"
],
"chemical_system": "Be-Cr-Pt",
"density": 9.333727834446385,
"density_atomic": 0.0886296481862939,
"volume": 56.4145306036905,
"volume_molar": 6.794724884095039,
"formula_full": "Be2 Cr2 Pt1",
"formula_reduced": "Be2Cr2Pt",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4020096799999995,
"spacegroup": 139
},
{
"id": "jvasp-36022",
"created_at": "2022-09-04T14:36:45.142087Z",
"updated_at": "2022-09-04T14:36:45.142113Z",
"structure_string": "Tc1 B1\n1.0\n2.731704 0.000000 -0.000000\n-0.000000 2.731704 -0.000000\n0.000000 0.000000 2.731704\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 8.863821125419486,
"density_atomic": 0.09811357033238269,
"volume": 20.384540010362805,
"volume_molar": 6.137928463512833,
"formula_full": "Tc1 B1",
"formula_reduced": "TcB",
"formula_anonymous": "AB",
"energy_above_hull": 3.4018220416666662,
"spacegroup": 221
},
{
"id": "jvasp-89934",
"created_at": "2022-09-04T14:35:47.943114Z",
"updated_at": "2022-09-04T14:35:47.943133Z",
"structure_string": "Ta3 Mn3 Ge3\n1.0\n0.000000 0.000000 -3.561468\n-3.248166 -5.625988 0.000000\n-3.248067 5.625931 0.000000\nTa Mn Ge\n3 3 3\ndirect\n0.500000 0.587658 0.000000 Ta\n0.500000 0.412313 0.412306 Ta\n0.500000 0.000007 0.587694 Ta\n0.000000 0.247742 0.000000 Mn\n0.000000 0.752226 0.752240 Mn\n0.000000 -0.000014 0.247761 Mn\n0.000000 0.333329 0.666658 Ge\n0.000000 0.666672 0.333343 Ge\n0.500000 -0.000028 -0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ta",
"density": 11.807957299328294,
"density_atomic": 0.06914412229947767,
"volume": 130.1629075717979,
"volume_molar": 8.709548345869296,
"formula_full": "Ta3 Mn3 Ge3",
"formula_reduced": "TaMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.401720797126436,
"spacegroup": 189
},
{
"id": "jvasp-52321",
"created_at": "2022-09-04T14:37:06.437294Z",
"updated_at": "2022-09-04T14:37:06.437314Z",
"structure_string": "Nb3 O7 F1\n1.0\n3.272809 5.435170 0.000000\n-3.272809 5.435170 0.000000\n0.000000 0.000000 3.904398\nNb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.302030 0.302030 0.000000 Nb\n0.697970 0.697970 0.000000 Nb\n0.045275 0.662196 0.000000 O\n0.337804 0.954725 0.000000 O\n0.000000 0.000000 0.500000 O\n0.314282 0.314282 0.500000 O\n0.685718 0.685718 0.500000 O\n0.954725 0.337804 0.000000 O\n0.662196 0.045275 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 4.897916025705501,
"density_atomic": 0.07919081538571826,
"volume": 138.90499733361509,
"volume_molar": 7.604594965549589,
"formula_full": "Nb3 O7 F1",
"formula_reduced": "Nb3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.4013957256818177,
"spacegroup": 65
},
{
"id": "jvasp-18868",
"created_at": "2022-09-04T14:36:31.567443Z",
"updated_at": "2022-09-04T14:36:31.567474Z",
"structure_string": "Ta1 Co1 Sb1\n1.0\n3.658607 -0.000000 2.112298\n1.219535 3.449368 2.112298\n-0.000000 -0.000000 4.224596\nTa Co Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Co\n0.500001 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Co",
"Sb"
],
"chemical_system": "Co-Sb-Ta",
"density": 11.263837449500532,
"density_atomic": 0.05627050077933737,
"volume": 53.31390263904681,
"volume_molar": 10.702127538575846,
"formula_full": "Ta1 Co1 Sb1",
"formula_reduced": "TaCoSb",
"formula_anonymous": "ABC",
"energy_above_hull": 3.4012520666666672,
"spacegroup": 216
},
{
"id": "jvasp-15573",
"created_at": "2022-09-04T14:36:59.570170Z",
"updated_at": "2022-09-04T14:36:59.570189Z",
"structure_string": "Pr1 Mn2 Si2\n1.0\n3.760589 -0.000000 -1.341228\n-0.478355 3.730042 -1.341228\n0.017524 0.019914 5.991793\nPr Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.749999 0.499999 Mn\n0.750000 0.249999 0.499999 Mn\n0.627187 0.627186 0.254373 Si\n0.372813 0.372812 0.745626 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"Si"
],
"chemical_system": "Mn-Pr-Si",
"density": 6.050067886694183,
"density_atomic": 0.05934809873569478,
"volume": 84.24869720371954,
"volume_molar": 10.14715026814835,
"formula_full": "Pr1 Mn2 Si2",
"formula_reduced": "Pr(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.401234306551723,
"spacegroup": 139
},
{
"id": "jvasp-120743",
"created_at": "2022-09-04T14:38:53.370640Z",
"updated_at": "2022-09-04T14:38:53.370668Z",
"structure_string": "Mn4 Ni1 O8\n1.0\n5.109946 -0.013723 2.810532\n1.921294 4.735015 2.810532\n0.093911 0.063059 5.720200\nMn Ni O\n4 1 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.736783 0.736783 0.797163 O\n0.722732 0.236897 0.776176 O\n0.236896 0.722732 0.776176 O\n0.250718 0.250719 0.772086 O\n0.749282 0.749281 0.227913 O\n0.763104 0.277268 0.223823 O\n0.277268 0.763103 0.223824 O\n0.263217 0.263217 0.202837 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 4.935853482003855,
"density_atomic": 0.09507344657818563,
"volume": 136.73639136779562,
"volume_molar": 6.334198429471647,
"formula_full": "Mn4 Ni1 O8",
"formula_reduced": "Mn4NiO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.401226874270557,
"spacegroup": 12
},
{
"id": "jvasp-15384",
"created_at": "2022-09-04T14:37:16.817235Z",
"updated_at": "2022-09-04T14:37:16.817260Z",
"structure_string": "Y3 Al1 C1\n1.0\n4.881126 -0.000000 0.000000\n0.000000 4.881126 0.000000\n-0.000000 -0.000000 4.881126\nY Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Al",
"C"
],
"chemical_system": "Al-C-Y",
"density": 4.365142105234606,
"density_atomic": 0.04299420755317276,
"volume": 116.29473560633228,
"volume_molar": 14.006865349366338,
"formula_full": "Y3 Al1 C1",
"formula_reduced": "Y3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.4010998300000006,
"spacegroup": 221
},
{
"id": "jvasp-17676",
"created_at": "2022-09-04T14:38:14.250683Z",
"updated_at": "2022-09-04T14:38:14.250701Z",
"structure_string": "U1 Mn2 Ge2\n1.0\n3.843733 -0.000000 -1.335707\n-0.464161 3.815604 -1.335707\n-0.213309 -0.240830 5.584529\nU Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.749999 0.499999 Mn\n0.749999 0.250000 0.499999 Mn\n0.628951 0.628950 0.257901 Ge\n0.371049 0.371048 0.742097 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-U",
"density": 10.310279809391753,
"density_atomic": 0.06294793668562515,
"volume": 79.4307210571654,
"volume_molar": 9.566859657490921,
"formula_full": "U1 Mn2 Ge2",
"formula_reduced": "U(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.400622476551724,
"spacegroup": 139
},
{
"id": "jvasp-8690",
"created_at": "2022-09-04T14:36:38.279215Z",
"updated_at": "2022-09-04T14:36:38.279229Z",
"structure_string": "Mg2 C4\n1.0\n3.937629 -0.000000 0.000000\n0.000000 3.937629 0.000000\n0.000000 0.000000 4.958465\nMg C\n2 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.887838 0.887838 0.000000 C\n0.612162 0.387838 0.500000 C\n0.112162 0.112162 0.000000 C\n0.387838 0.612162 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 2.0875971513778255,
"density_atomic": 0.07804308142206023,
"volume": 76.88061376705194,
"volume_molar": 7.716431297006344,
"formula_full": "Mg2 C4",
"formula_reduced": "MgC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4006063499999994,
"spacegroup": 136
},
{
"id": "jvasp-37783",
"created_at": "2022-09-04T14:38:34.879149Z",
"updated_at": "2022-09-04T14:38:34.879185Z",
"structure_string": "Hf1 Al1 Fe2\n1.0\n0.000011 3.001302 3.001308\n3.001309 0.000009 3.001309\n3.001301 3.001298 0.000017\nHf Al Fe\n1 1 2\ndirect\n0.750001 0.750001 0.749999 Hf\n0.250000 0.250001 0.250001 Al\n0.500002 0.500000 0.500001 Fe\n0.000000 0.000001 0.000001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Hf",
"density": 9.740295140766705,
"density_atomic": 0.07397798441870956,
"volume": 54.07014034554274,
"volume_molar": 8.140449901845335,
"formula_full": "Hf1 Al1 Fe2",
"formula_reduced": "HfAlFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4004517,
"spacegroup": 225
},
{
"id": "jvasp-67579",
"created_at": "2022-09-04T14:35:46.033333Z",
"updated_at": "2022-09-04T14:35:46.033353Z",
"structure_string": "Sc1 Be1 Re1\n1.0\n-1.382308 1.382308 5.757400\n1.382308 -1.382308 5.757400\n1.382308 1.382308 -5.757400\nSc Be Re\n1 1 1\ndirect\n0.657811 0.657811 0.000000 Sc\n0.987372 0.987372 0.000000 Be\n0.354817 0.354817 0.000000 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Re"
],
"chemical_system": "Be-Re-Sc",
"density": 9.063188841225635,
"density_atomic": 0.0681750110465455,
"volume": 44.00439330991518,
"volume_molar": 8.833355019023717,
"formula_full": "Sc1 Be1 Re1",
"formula_reduced": "ScBeRe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.400133116666667,
"spacegroup": 107
}
]
}