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=updated_at&page=690",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=688",
"results": [
{
"id": "jvasp-63006",
"created_at": "2022-09-04T14:36:03.623133Z",
"updated_at": "2022-09-04T14:36:03.623161Z",
"structure_string": "Mg2 B4 C4\n1.0\n2.772350 0.000000 0.000000\n0.000000 4.628948 0.000000\n0.000000 0.000000 7.210764\nMg B C\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.616391 0.770330 B\n0.000000 0.383610 0.229669 B\n0.500000 0.116390 0.729669 B\n0.500000 0.883610 0.270330 B\n0.000000 0.714711 0.278754 C\n0.000000 0.285290 0.721245 C\n0.500000 0.214710 0.221245 C\n0.500000 0.785290 0.778754 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"B",
"C"
],
"chemical_system": "B-C-Mg",
"density": 2.5104133539481484,
"density_atomic": 0.10806582129458236,
"volume": 92.53619581292469,
"volume_molar": 5.572659965803551,
"formula_full": "Mg2 B4 C4",
"formula_reduced": "Mg(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.248056843333334,
"spacegroup": 58
},
{
"id": "jvasp-75597",
"created_at": "2022-09-04T14:36:03.625354Z",
"updated_at": "2022-09-04T14:36:03.625375Z",
"structure_string": "Zr1 Mn2 As1\n1.0\n-0.000000 3.158167 3.158167\n3.158167 0.000000 3.158167\n3.158167 3.158167 0.000000\nZr Mn As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"As"
],
"chemical_system": "As-Mn-Zr",
"density": 7.275402729819364,
"density_atomic": 0.06349283542145033,
"volume": 62.99923406237809,
"volume_molar": 9.48475638239569,
"formula_full": "Zr1 Mn2 As1",
"formula_reduced": "ZrMn2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.782667683189656,
"spacegroup": 216
},
{
"id": "jvasp-74191",
"created_at": "2022-09-04T14:36:03.626308Z",
"updated_at": "2022-09-04T14:36:03.626330Z",
"structure_string": "K2 Be1 Re1\n1.0\n-2.546694 2.546694 3.600739\n2.546694 -2.546694 3.600739\n2.546694 2.546694 -3.600739\nK Be Re\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Re"
],
"chemical_system": "Be-K-Re",
"density": 4.860349641254666,
"density_atomic": 0.04282080497104017,
"volume": 93.41253632913279,
"volume_molar": 14.063586063066284,
"formula_full": "K2 Be1 Re1",
"formula_reduced": "K2BeRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.131100025,
"spacegroup": 216
},
{
"id": "jvasp-105689",
"created_at": "2022-09-04T14:36:03.628344Z",
"updated_at": "2022-09-04T14:36:03.628362Z",
"structure_string": "Rb3 Sc1 I6\n1.0\n7.623026 -0.000000 4.401156\n2.541009 7.187058 4.401156\n0.000000 0.000000 8.802312\nRb Sc I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.770041 0.229960 0.229960 I\n0.229960 0.229960 0.770040 I\n0.229960 0.770040 0.770040 I\n0.229960 0.770040 0.229960 I\n0.770041 0.229960 0.770040 I\n0.770041 0.770040 0.229960 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sc",
"I"
],
"chemical_system": "I-Rb-Sc",
"density": 3.659482438821617,
"density_atomic": 0.020735986008281578,
"volume": 482.2534118226247,
"volume_molar": 29.041979279860943,
"formula_full": "Rb3 Sc1 I6",
"formula_reduced": "Rb3ScI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93841",
"created_at": "2022-09-04T14:36:03.634246Z",
"updated_at": "2022-09-04T14:36:03.634265Z",
"structure_string": "Cr4 Ni2\n1.0\n-3.271980 -3.271980 0.000000\n-3.271980 0.000000 -3.271980\n-0.000000 -3.271980 -3.271980\nCr Ni\n4 2\ndirect\n0.875000 0.375000 0.375000 Cr\n0.375000 0.875000 0.375000 Cr\n0.375000 0.375000 0.875000 Cr\n0.375000 0.375000 0.375000 Cr\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 7.711987015755532,
"density_atomic": 0.08564249945457081,
"volume": 70.05867458577279,
"volume_molar": 7.031719996909308,
"formula_full": "Cr4 Ni2",
"formula_reduced": "Cr2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2185724,
"spacegroup": 227
},
{
"id": "jvasp-69917",
"created_at": "2022-09-04T14:36:03.636738Z",
"updated_at": "2022-09-04T14:36:03.636767Z",
"structure_string": "Ta1 Be2 Pt1\n1.0\n-1.861515 1.861515 3.771271\n1.861515 -1.861515 3.771271\n1.861515 1.861515 -3.771271\nTa Be Pt\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Ta",
"density": 12.517756461818971,
"density_atomic": 0.0765207430018791,
"volume": 52.273407746469125,
"volume_molar": 7.869945486352786,
"formula_full": "Ta1 Be2 Pt1",
"formula_reduced": "TaBe2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1947282,
"spacegroup": 119
},
{
"id": "jvasp-96166",
"created_at": "2022-09-04T14:36:03.642533Z",
"updated_at": "2022-09-04T14:36:03.642548Z",
"structure_string": "Rb4 P4 H16 O20\n1.0\n6.910096 0.000000 -1.793895\n0.000000 7.735656 0.000000\n0.089517 0.000000 9.440104\nRb P H O\n4 4 16 20\ndirect\n0.823325 0.221289 0.459504 Rb\n0.176676 0.721289 0.040496 Rb\n0.176676 0.778712 0.540496 Rb\n0.823325 0.278712 0.959504 Rb\n0.367445 0.209977 0.151148 P\n0.632555 0.709978 0.348852 P\n0.632556 0.790023 0.848852 P\n0.367446 0.290023 0.651148 P\n0.362395 0.175733 0.441294 H\n0.637606 0.675734 0.058706 H\n0.362395 0.324267 0.941294 H\n0.120745 0.409738 0.277110 H\n0.879256 0.909738 0.222890 H\n0.879256 0.590262 0.722890 H\n0.120745 0.090262 0.777110 H\n0.637606 0.824267 0.558706 H\n0.066813 0.016463 0.211559 H\n0.066813 0.483537 0.711559 H\n0.933188 0.983537 0.788441 H\n0.577715 0.509115 0.668353 H\n0.422287 0.009114 0.831647 H\n0.422286 0.490886 0.331647 H\n0.577714 0.990886 0.168353 H\n0.933188 0.516463 0.288442 H\n0.569834 0.378352 0.653319 O\n0.202242 0.086360 0.098049 O\n0.797759 0.586360 0.401951 O\n0.003350 0.034802 0.719006 O\n0.202242 0.413641 0.598049 O\n0.430168 0.878352 0.846681 O\n0.996651 0.534803 0.780994 O\n0.797759 0.913641 0.901951 O\n0.430167 0.621648 0.346681 O\n0.639464 0.868390 0.457410 O\n0.360537 0.131611 0.542590 O\n0.639464 0.631611 0.957410 O\n0.360537 0.368389 0.042590 O\n0.377391 0.208480 0.801299 O\n0.622610 0.708481 0.698701 O\n0.622610 0.791520 0.198702 O\n0.377391 0.291520 0.301299 O\n0.996651 0.965198 0.280994 O\n0.569833 0.121648 0.153320 O\n0.003350 0.465198 0.219007 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Rb",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.632287752960086,
"density_atomic": 0.08698149400932596,
"volume": 505.8547280790833,
"volume_molar": 6.923473583190374,
"formula_full": "Rb4 P4 H16 O20",
"formula_reduced": "RbPH4O5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 2.532437545454545,
"spacegroup": 14
},
{
"id": "jvasp-70967",
"created_at": "2022-09-04T14:36:03.643593Z",
"updated_at": "2022-09-04T14:36:03.643612Z",
"structure_string": "Li1 Be1 Pd2\n1.0\n2.930786 0.000000 0.000000\n0.000000 2.930786 0.000000\n0.000000 0.000000 5.790434\nLi Be Pd\n1 1 2\ndirect\n0.500001 0.500001 0.736801 Li\n0.000000 0.000000 0.496297 Be\n0.000000 0.000000 0.963352 Pd\n0.500001 0.500001 0.303548 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Pd"
],
"chemical_system": "Be-Li-Pd",
"density": 7.638583728943675,
"density_atomic": 0.08042307211521947,
"volume": 49.736970931293605,
"volume_molar": 7.488075998106959,
"formula_full": "Li1 Be1 Pd2",
"formula_reduced": "LiBePd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.379989375,
"spacegroup": 99
},
{
"id": "jvasp-65735",
"created_at": "2022-09-04T14:36:03.648030Z",
"updated_at": "2022-09-04T14:36:03.648041Z",
"structure_string": "Ba1 Zr4 Nb1\n1.0\n0.000000 4.205480 4.205480\n4.205480 0.000000 4.205480\n4.205480 4.205480 -0.000000\nBa Zr Nb\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117581 0.627473 0.627473 Zr\n0.627473 0.627473 0.627473 Zr\n0.627473 0.117581 0.627473 Zr\n0.627473 0.627473 0.117581 Zr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Nb"
],
"chemical_system": "Ba-Nb-Zr",
"density": 6.643298652177202,
"density_atomic": 0.04033430136615495,
"volume": 148.75676029521316,
"volume_molar": 14.930569158322545,
"formula_full": "Ba1 Zr4 Nb1",
"formula_reduced": "BaZr4Nb",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.269810561666667,
"spacegroup": 216
},
{
"id": "jvasp-75824",
"created_at": "2022-09-04T14:36:03.648805Z",
"updated_at": "2022-09-04T14:36:03.648831Z",
"structure_string": "Be1 Zn2 As1\n1.0\n-0.000000 3.161898 3.161898\n3.161898 -0.000000 3.161898\n3.161898 3.161898 0.000000\nBe Zn As\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"As"
],
"chemical_system": "As-Be-Zn",
"density": 5.640431255068544,
"density_atomic": 0.06326833828436342,
"volume": 63.222776328054564,
"volume_molar": 9.518411457138514,
"formula_full": "Be1 Zn2 As1",
"formula_reduced": "BeZn2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3551996624999999,
"spacegroup": 216
},
{
"id": "jvasp-21214",
"created_at": "2022-09-04T14:36:03.648863Z",
"updated_at": "2022-09-04T14:36:03.648887Z",
"structure_string": "H4\n1.0\n3.415326 -0.000000 -0.000000\n-1.707663 2.957759 -0.000000\n0.000000 0.000000 5.077196\nH\n4\ndirect\n0.333334 0.666667 0.823954 H\n0.666668 0.333333 0.323953 H\n0.666668 0.333333 0.176047 H\n0.333334 0.666667 0.676047 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1305343741301579,
"density_atomic": 0.07799039380339816,
"volume": 51.28836777107944,
"volume_molar": 7.721644251702197,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 0.0036200000000001,
"spacegroup": 194
},
{
"id": "jvasp-68276",
"created_at": "2022-09-04T14:36:03.653403Z",
"updated_at": "2022-09-04T14:36:03.653427Z",
"structure_string": "Ta2 Be1 Ge1\n1.0\n2.914892 0.000000 0.000000\n0.000000 2.914892 0.000000\n0.000000 0.000000 7.190240\nTa Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.972433 Ta\n0.500000 0.500000 0.301972 Ta\n0.000000 0.000000 0.520133 Be\n0.500000 0.500000 0.705463 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Ta",
"density": 12.055947348490502,
"density_atomic": 0.06547442120955528,
"volume": 61.092559905153365,
"volume_molar": 9.197699878439144,
"formula_full": "Ta2 Be1 Ge1",
"formula_reduced": "Ta2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0490576125,
"spacegroup": 99
}
]
}