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=volume&page=279",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=277",
"results": [
{
"id": "jvasp-109688",
"created_at": "2022-09-04T14:38:18.091178Z",
"updated_at": "2022-09-04T14:38:18.091190Z",
"structure_string": "Ta1 Nb1 C2\n1.0\n3.044753 -0.000364 4.597193\n1.384062 2.711991 4.597193\n-0.000595 -0.000364 5.514046\nTa Nb C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499998 0.500002 0.500000 Nb\n0.252035 0.252036 0.252036 C\n0.747961 0.747967 0.747965 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"C"
],
"chemical_system": "C-Nb-Ta",
"density": 10.860496151456637,
"density_atomic": 0.08782649320204565,
"volume": 45.54434378699333,
"volume_molar": 6.856861227677633,
"formula_full": "Ta1 Nb1 C2",
"formula_reduced": "TaNbC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.909192150000001,
"spacegroup": 166
},
{
"id": "jvasp-103140",
"created_at": "2022-09-04T14:37:00.945651Z",
"updated_at": "2022-09-04T14:37:00.945684Z",
"structure_string": "Li2 Ir1 N2\n1.0\n3.254111 -0.000000 -0.000001\n-1.627053 2.818142 0.000000\n0.000000 0.000000 4.966921\nLi Ir N\n2 1 2\ndirect\n0.666667 0.333333 0.358820 Li\n0.333333 0.666667 0.641180 Li\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.790675 N\n0.333333 0.666667 0.209325 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ir",
"N"
],
"chemical_system": "Ir-Li-N",
"density": 8.534754371135946,
"density_atomic": 0.10977097367069798,
"volume": 45.549381888508194,
"volume_molar": 5.48609578527182,
"formula_full": "Li2 Ir1 N2",
"formula_reduced": "Li2IrN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.44019352,
"spacegroup": 164
},
{
"id": "jvasp-49840",
"created_at": "2022-09-04T14:38:16.098190Z",
"updated_at": "2022-09-04T14:38:16.098210Z",
"structure_string": "Li1 Lu1 O2\n1.0\n3.257952 -0.000000 -0.000000\n-1.628975 0.940490 4.955324\n1.628975 -2.821468 -0.000000\nLi Lu O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.500000 Lu\n0.245071 0.735213 0.245071 O\n0.754928 0.264786 0.754930 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"O"
],
"chemical_system": "Li-Lu-O",
"density": 7.797974703501449,
"density_atomic": 0.08781488260052234,
"volume": 45.55036551374046,
"volume_molar": 6.857767819829869,
"formula_full": "Li1 Lu1 O2",
"formula_reduced": "LiLuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9088281875000002,
"spacegroup": 166
},
{
"id": "jvasp-7761",
"created_at": "2022-09-04T14:37:03.646899Z",
"updated_at": "2022-09-04T14:37:03.646925Z",
"structure_string": "Mg1 S1\n1.0\n3.471656 0.000000 2.004362\n1.157218 3.273109 2.004362\n-0.000000 -0.000000 4.008722\nMg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.249999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 2.0549158374309213,
"density_atomic": 0.043906306287879435,
"volume": 45.55154302633994,
"volume_molar": 13.715890196990776,
"formula_full": "Mg1 S1",
"formula_reduced": "MgS",
"formula_anonymous": "AB",
"energy_above_hull": 0.012415,
"spacegroup": 216
},
{
"id": "jvasp-109704",
"created_at": "2022-09-04T14:38:26.767563Z",
"updated_at": "2022-09-04T14:38:26.767591Z",
"structure_string": "Mo2 Rh1\n1.0\n6.317732 0.029387 1.392065\n5.737096 2.681094 1.322477\n-0.014809 0.067629 2.714542\nMo Rh\n2 1\ndirect\n0.340914 0.340914 0.659087 Mo\n0.659087 0.659086 0.340915 Mo\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"Rh"
],
"chemical_system": "Mo-Rh",
"density": 10.745977661682725,
"density_atomic": 0.06585852096337784,
"volume": 45.55219212511954,
"volume_molar": 9.144057096801113,
"formula_full": "Mo2 Rh1",
"formula_reduced": "Mo2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 4.3776816,
"spacegroup": 139
},
{
"id": "jvasp-102340",
"created_at": "2022-09-04T14:36:51.302002Z",
"updated_at": "2022-09-04T14:36:51.302026Z",
"structure_string": "Hf1 W1 C2\n1.0\n3.041647 -0.001434 4.608378\n1.382646 2.709226 4.608378\n-0.002342 -0.001434 5.521663\nHf W C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500001 0.500002 0.499998 W\n0.753964 0.753966 0.753959 C\n0.246038 0.246038 0.246036 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"W",
"C"
],
"chemical_system": "C-Hf-W",
"density": 14.08379027250721,
"density_atomic": 0.08781080382746616,
"volume": 45.55248130810127,
"volume_molar": 6.85808636011637,
"formula_full": "Hf1 W1 C2",
"formula_reduced": "HfWC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.252650749999999,
"spacegroup": 166
},
{
"id": "jvasp-41262",
"created_at": "2022-09-04T14:37:36.518245Z",
"updated_at": "2022-09-04T14:37:36.518264Z",
"structure_string": "Mn2 V1 Si1\n1.0\n0.000000 2.834677 2.834677\n2.834677 -0.000000 2.834677\n2.834677 2.834677 0.000000\nMn V Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.750001 0.750001 0.750001 V\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Si"
],
"chemical_system": "Mn-Si-V",
"density": 6.885689325849863,
"density_atomic": 0.08780500173761552,
"volume": 45.555491382518895,
"volume_molar": 6.858539537412394,
"formula_full": "Mn2 V1 Si1",
"formula_reduced": "Mn2VSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.873159320689655,
"spacegroup": 225
},
{
"id": "jvasp-118765",
"created_at": "2022-09-04T14:38:47.357242Z",
"updated_at": "2022-09-04T14:38:47.357268Z",
"structure_string": "Cl2\n1.0\n2.627262 -0.000000 0.000000\n0.000000 2.627262 0.000000\n0.000000 -0.000000 6.599950\nCl\n2\ndirect\n0.000000 0.000000 0.749996 Cl\n0.500001 0.500001 0.250004 Cl\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 2.5845484012272633,
"density_atomic": 0.04390182573717964,
"volume": 45.55619194456956,
"volume_molar": 13.717290018988802,
"formula_full": "Cl2",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"energy_above_hull": 0.2951940675,
"spacegroup": 139
},
{
"id": "jvasp-35783",
"created_at": "2022-09-04T14:37:20.157455Z",
"updated_at": "2022-09-04T14:37:20.157481Z",
"structure_string": "Sc1 Cu2\n1.0\n3.313647 -0.000000 0.000000\n-0.000000 3.313647 0.000000\n-1.656824 -1.656824 4.148924\nSc Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.672063 0.672063 0.344123 Cu\n0.327939 0.327939 0.655876 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 6.271198408789268,
"density_atomic": 0.06585265544751534,
"volume": 45.55624947259726,
"volume_molar": 9.144871560721883,
"formula_full": "Sc1 Cu2",
"formula_reduced": "ScCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4188653833333334,
"spacegroup": 139
},
{
"id": "jvasp-71346",
"created_at": "2022-09-04T14:36:15.670143Z",
"updated_at": "2022-09-04T14:36:15.670163Z",
"structure_string": "Mg1 Be2 Ni1\n1.0\n2.759452 0.000000 0.000000\n0.000000 2.759452 0.000000\n0.000000 0.000000 5.982995\nMg Be Ni\n1 2 1\ndirect\n0.000000 0.000000 0.506407 Mg\n0.000000 0.000000 0.997106 Be\n0.500000 0.500000 0.186125 Be\n0.500000 0.500000 0.810361 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Ni"
],
"chemical_system": "Be-Mg-Ni",
"density": 3.6821715338447465,
"density_atomic": 0.08780023198312499,
"volume": 45.55796618816213,
"volume_molar": 6.858912128110826,
"formula_full": "Mg1 Be2 Ni1",
"formula_reduced": "MgBe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.95084249375,
"spacegroup": 99
},
{
"id": "jvasp-109184",
"created_at": "2022-09-04T14:38:10.451234Z",
"updated_at": "2022-09-04T14:38:10.451251Z",
"structure_string": "Ga1 Co2 Ni1\n1.0\n2.895008 0.000000 0.000000\n0.000000 2.895008 0.000000\n0.000000 0.000000 5.436164\nGa Co Ni\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.757127 Co\n0.000000 0.000000 0.242873 Co\n0.500000 0.500000 -0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Co",
"Ni"
],
"chemical_system": "Co-Ga-Ni",
"density": 8.976170136728472,
"density_atomic": 0.08779462027008517,
"volume": 45.560878191564385,
"volume_molar": 6.859350540470374,
"formula_full": "Ga1 Co2 Ni1",
"formula_reduced": "GaCo2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7786766312500002,
"spacegroup": 123
},
{
"id": "jvasp-63810",
"created_at": "2022-09-04T14:35:52.128070Z",
"updated_at": "2022-09-04T14:35:52.128095Z",
"structure_string": "Li2 B2 C2\n1.0\n1.372138 -2.376613 0.000000\n1.372138 2.376613 -0.000000\n-0.000000 -0.000000 6.986534\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.750000 B\n0.666668 0.333334 0.250000 B\n0.333334 0.666668 0.250000 C\n0.666668 0.333334 0.750000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 2.1692189371776935,
"density_atomic": 0.1316749668221238,
"volume": 45.56674776387254,
"volume_molar": 4.5734894834909285,
"formula_full": "Li2 B2 C2",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.157434194444445,
"spacegroup": 194
}
]
}