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=-created_at&page=4063",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4061",
"results": [
{
"id": "jvasp-75778",
"created_at": "2022-09-04T14:35:59.949640Z",
"updated_at": "2022-09-04T14:35:59.949667Z",
"structure_string": "Ti1 As1 P2\n1.0\n-0.000000 3.194589 3.194589\n3.194589 -0.000000 3.194589\n3.194589 3.194589 0.000000\nTi As P\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"P"
],
"chemical_system": "As-P-Ti",
"density": 4.70463519740801,
"density_atomic": 0.06134582620783436,
"volume": 65.20410999842672,
"volume_molar": 9.816708213526226,
"formula_full": "Ti1 As1 P2",
"formula_reduced": "TiAsP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.079030270833333,
"spacegroup": 216
},
{
"id": "jvasp-90175",
"created_at": "2022-09-04T14:35:59.949580Z",
"updated_at": "2022-09-04T14:35:59.949611Z",
"structure_string": "Sc3 Ge3 Os3\n1.0\n0.000000 0.000000 -3.476351\n-3.496398 -6.055939 0.000000\n-3.496581 6.056045 0.000000\nSc Ge Os\n3 3 3\ndirect\n0.500000 0.597846 0.000000 Sc\n0.500000 0.402139 0.402151 Sc\n0.500000 0.999988 0.597849 Sc\n0.000000 0.333320 0.666666 Ge\n0.000000 0.666654 0.333334 Ge\n0.500000 0.999993 0.000000 Ge\n0.000000 0.256290 0.000000 Os\n0.000000 0.743684 0.743695 Os\n0.000000 0.999988 0.256305 Os\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Ge",
"Os"
],
"chemical_system": "Ge-Os-Sc",
"density": 10.416082006637852,
"density_atomic": 0.06113238969306153,
"volume": 147.2214654978798,
"volume_molar": 9.850982090241285,
"formula_full": "Sc3 Ge3 Os3",
"formula_reduced": "ScGeOs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.553002066666666,
"spacegroup": 189
},
{
"id": "jvasp-70927",
"created_at": "2022-09-04T14:35:59.948926Z",
"updated_at": "2022-09-04T14:35:59.948950Z",
"structure_string": "Be1 Nb2 Ir1\n1.0\n2.876269 0.000000 0.000000\n0.000000 2.876269 -0.000000\n-0.000000 0.000000 7.237825\nBe Nb Ir\n1 2 1\ndirect\n0.000000 0.000000 0.543419 Be\n0.000000 0.000000 0.966330 Nb\n0.500000 0.500000 0.289272 Nb\n0.500000 0.500000 0.700980 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Ir"
],
"chemical_system": "Be-Ir-Nb",
"density": 10.73346756380176,
"density_atomic": 0.06680253018619481,
"volume": 59.87797152070487,
"volume_molar": 9.0148393230239,
"formula_full": "Be1 Nb2 Ir1",
"formula_reduced": "BeNb2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.283619,
"spacegroup": 99
},
{
"id": "jvasp-71824",
"created_at": "2022-09-04T14:35:59.942817Z",
"updated_at": "2022-09-04T14:35:59.942843Z",
"structure_string": "Ti1 Be1 Re2\n1.0\n-1.854551 1.854551 4.105092\n1.854551 -1.854551 4.105092\n1.854551 1.854551 -4.105092\nTi Be Re\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Re"
],
"chemical_system": "Be-Re-Ti",
"density": 12.622420406558538,
"density_atomic": 0.07082711362181453,
"volume": 56.47554722275189,
"volume_molar": 8.502592371835973,
"formula_full": "Ti1 Be1 Re2",
"formula_reduced": "TiBeRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.888407608333333,
"spacegroup": 139
},
{
"id": "jvasp-68915",
"created_at": "2022-09-04T14:35:59.940423Z",
"updated_at": "2022-09-04T14:35:59.940451Z",
"structure_string": "Ta1 Be1 Sb1\n1.0\n1.546747 -2.679043 0.000000\n1.546747 2.679043 -0.000000\n0.000000 0.000000 6.565356\nTa Be Sb\n1 1 1\ndirect\n0.666668 0.333334 0.307974 Ta\n0.000000 0.000000 0.015479 Be\n0.333334 0.666668 0.676547 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Sb"
],
"chemical_system": "Be-Sb-Ta",
"density": 9.513199597528024,
"density_atomic": 0.05513584211408945,
"volume": 54.4110670114056,
"volume_molar": 10.922370148149234,
"formula_full": "Ta1 Be1 Sb1",
"formula_reduced": "TaBeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1868738,
"spacegroup": 156
},
{
"id": "jvasp-105863",
"created_at": "2022-09-04T14:35:59.937664Z",
"updated_at": "2022-09-04T14:35:59.937691Z",
"structure_string": "Sr1 Ce1 Hg2\n1.0\n4.752680 0.000000 2.743961\n1.584227 4.480869 2.743961\n0.000000 0.000000 5.487921\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 Ce\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg-Sr",
"density": 8.935792362839145,
"density_atomic": 0.03422561959291658,
"volume": 116.87151460153113,
"volume_molar": 17.595417794120397,
"formula_full": "Sr1 Ce1 Hg2",
"formula_reduced": "SrCeHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-74759",
"created_at": "2022-09-04T14:35:59.936896Z",
"updated_at": "2022-09-04T14:35:59.936911Z",
"structure_string": "Be2 Tc1 Ge1\n1.0\n-1.712111 1.712111 3.916757\n1.712111 -1.712111 3.916757\n1.712111 1.712111 -3.916757\nBe Tc Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Tc\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Ge"
],
"chemical_system": "Be-Ge-Tc",
"density": 6.821635635430588,
"density_atomic": 0.08709827156164311,
"volume": 45.925136380795244,
"volume_molar": 6.914190892683648,
"formula_full": "Be2 Tc1 Ge1",
"formula_reduced": "Be2TcGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4510799125,
"spacegroup": 119
},
{
"id": "jvasp-98645",
"created_at": "2022-09-04T14:35:59.933448Z",
"updated_at": "2022-09-04T14:35:59.933467Z",
"structure_string": "Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O",
"density": 2.2154480481035104,
"density_atomic": 0.10449666590592653,
"volume": 497.6235322839216,
"volume_molar": 5.762997994042654,
"formula_full": "Mn4 H24 O12 F12",
"formula_reduced": "MnH6(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.386405276067639,
"spacegroup": 14
},
{
"id": "jvasp-14801",
"created_at": "2022-09-04T14:35:59.932809Z",
"updated_at": "2022-09-04T14:35:59.932827Z",
"structure_string": "Ti1 Ru1\n1.0\n3.077227 0.000000 -0.000000\n-0.000000 3.077227 -0.000000\n-0.000000 -0.000000 3.077227\nTi Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Ru"
],
"chemical_system": "Ru-Ti",
"density": 8.487369234944119,
"density_atomic": 0.06863590945512568,
"volume": 29.1392656683249,
"volume_molar": 8.7740379748844,
"formula_full": "Ti1 Ru1",
"formula_reduced": "TiRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.3894094166666666,
"spacegroup": 221
},
{
"id": "jvasp-64206",
"created_at": "2022-09-04T14:35:59.930265Z",
"updated_at": "2022-09-04T14:35:59.930296Z",
"structure_string": "Ba4 V1 Pb1\n1.0\n-0.000000 4.951965 4.951965\n4.951965 0.000000 4.951965\n4.951965 4.951965 -0.000000\nBa V Pb\n4 1 1\ndirect\n0.125840 0.624720 0.624720 Ba\n0.624720 0.624720 0.624720 Ba\n0.624720 0.125840 0.624720 Ba\n0.624720 0.624720 0.125840 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Pb"
],
"chemical_system": "Ba-Pb-V",
"density": 5.520796922747275,
"density_atomic": 0.02470521031047643,
"volume": 242.86374916855715,
"volume_molar": 24.375994716573068,
"formula_full": "Ba4 V1 Pb1",
"formula_reduced": "Ba4VPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8199564833333334,
"spacegroup": 216
},
{
"id": "jvasp-75485",
"created_at": "2022-09-04T14:35:59.926400Z",
"updated_at": "2022-09-04T14:35:59.926424Z",
"structure_string": "Mg1 Nb1 As1\n1.0\n-0.000000 3.160553 3.160553\n3.160553 -0.000000 3.160553\n3.160553 3.160553 0.000000\nMg Nb As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Nb\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"As"
],
"chemical_system": "As-Mg-Nb",
"density": 5.052796273658718,
"density_atomic": 0.047511859341522376,
"volume": 63.14213001927687,
"volume_molar": 12.67502649541023,
"formula_full": "Mg1 Nb1 As1",
"formula_reduced": "MgNbAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.298350066666666,
"spacegroup": 216
},
{
"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
}
]
}