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=nsites&page=4204",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4202",
"results": [
{
"id": "jvasp-55698",
"created_at": "2022-09-04T14:38:09.610275Z",
"updated_at": "2022-09-04T14:38:09.610285Z",
"structure_string": "Mg1 Te1 H12 O9\n1.0\n5.908585 -0.055287 -0.811275\n-0.922805 5.836340 -0.811275\n-0.047682 -0.055287 5.963830\nMg Te H O\n1 1 12 9\ndirect\n0.002956 0.002956 0.002956 Mg\n0.553387 0.553387 0.553386 Te\n0.031900 0.538961 0.957487 H\n0.957488 0.031900 0.538961 H\n0.632312 0.737348 0.127370 H\n0.127371 0.632312 0.737348 H\n0.176003 0.814579 0.384308 H\n0.422779 0.283104 0.080128 H\n0.080128 0.422779 0.283104 H\n0.283105 0.080128 0.422779 H\n0.384309 0.176003 0.814579 H\n0.814580 0.384309 0.176003 H\n0.737349 0.127371 0.632312 H\n0.538961 0.957487 0.031899 H\n0.141813 0.965214 0.340112 O\n0.965215 0.340113 0.141813 O\n0.340114 0.141813 0.965214 O\n0.874730 0.050729 0.672354 O\n0.050729 0.672354 0.874728 O\n0.672355 0.874729 0.050728 O\n0.501508 0.239254 0.589752 O\n0.239254 0.589753 0.501507 O\n0.589753 0.501508 0.239254 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"Te",
"H",
"O"
],
"chemical_system": "H-Mg-O-Te",
"density": 2.4969953742626685,
"density_atomic": 0.11229307623546544,
"volume": 204.82117661263186,
"volume_molar": 5.362878070391692,
"formula_full": "Mg1 Te1 H12 O9",
"formula_reduced": "MgTe(H4O3)3",
"formula_anonymous": "ABC9D12",
"energy_above_hull": 2.8597116659420294,
"spacegroup": 146
},
{
"id": "jvasp-57387",
"created_at": "2022-09-04T14:38:18.322379Z",
"updated_at": "2022-09-04T14:38:18.322397Z",
"structure_string": "Ba3 Nb1 Fe3 Si2 O14\n1.0\n4.324141 -7.489631 -0.000000\n4.324141 7.489631 0.000000\n0.000000 -0.000000 5.281363\nBa Nb Fe Si O\n3 1 3 2 14\ndirect\n0.432167 0.432167 0.000000 Ba\n-0.000000 0.567833 0.000000 Ba\n0.567833 -0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Nb\n0.254503 -0.000000 0.500000 Fe\n0.745497 0.745497 0.500000 Fe\n-0.000000 0.254503 0.500000 Fe\n0.666667 0.333333 0.522939 Si\n0.333333 0.666667 0.477060 Si\n0.823218 0.298508 0.649332 O\n0.475291 0.176781 0.649332 O\n0.666667 0.333333 0.217626 O\n0.781628 0.894671 0.775175 O\n0.894671 0.781628 0.224824 O\n0.524709 0.701492 0.350667 O\n0.701492 0.524709 0.649332 O\n0.333333 0.666667 0.782373 O\n0.218371 0.113043 0.224824 O\n0.113043 0.218371 0.775175 O\n0.176781 0.475291 0.350667 O\n0.298508 0.823218 0.350667 O\n0.105329 0.886957 0.775175 O\n0.886957 0.105329 0.224824 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Nb",
"Fe",
"Si",
"O"
],
"chemical_system": "Ba-Fe-Nb-O-Si",
"density": 4.623986361965426,
"density_atomic": 0.06723440310124157,
"volume": 342.08677312664764,
"volume_molar": 8.95693347783851,
"formula_full": "Ba3 Nb1 Fe3 Si2 O14",
"formula_reduced": "Ba3NbFe3(SiO7)2",
"formula_anonymous": "AB2C3D3E14",
"energy_above_hull": 2.937662609130435,
"spacegroup": 150
},
{
"id": "jvasp-117294",
"created_at": "2022-09-04T14:38:26.106573Z",
"updated_at": "2022-09-04T14:38:26.106583Z",
"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n4.956982 -0.168591 -0.412461\n-0.260954 6.130285 -0.467696\n-0.069804 -0.473766 8.478466\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.736686 0.542839 0.242719 Li\n0.201694 0.526933 0.816034 Li\n0.362840 0.006222 0.778845 Li\n0.182539 0.225835 0.329148 Mn\n0.796360 0.762020 0.649726 Mn\n0.278149 0.754267 0.419510 P\n0.717508 0.242781 0.564486 P\n0.255296 0.255332 0.060478 C\n0.741391 0.741475 0.937610 C\n0.522847 0.732840 0.835826 O\n0.873127 0.455243 0.654227 O\n0.717153 0.069627 0.681343 O\n0.176789 0.836350 0.581166 O\n0.416561 0.286643 0.522399 O\n0.583075 0.705158 0.444791 O\n0.447948 0.291544 0.181054 O\n0.109467 0.538319 0.341568 O\n0.249434 0.923788 0.301041 O\n0.293662 0.271390 0.918048 O\n0.745017 0.705373 0.076712 O\n0.021196 0.200909 0.109930 O\n0.850410 0.162818 0.412589 O\n0.966767 0.788480 0.867810 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.8590356569433752,
"density_atomic": 0.08986592742492798,
"volume": 255.936823433038,
"volume_molar": 6.701250332091397,
"formula_full": "Li3 Mn2 P2 C2 O14",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy_above_hull": 3.3628636731634183,
"spacegroup": 1
},
{
"id": "jvasp-49214",
"created_at": "2022-09-04T14:38:03.221733Z",
"updated_at": "2022-09-04T14:38:03.221753Z",
"structure_string": "Zn4 B6 Se1 O12\n1.0\n6.310696 0.000000 -2.231168\n-3.155348 5.465223 -2.231168\n-0.000000 -0.000000 6.693504\nZn B Se O\n4 6 1 12\ndirect\n-0.000000 0.645659 -0.000000 Zn\n0.645660 -0.000000 -0.000000 Zn\n0.354340 0.354340 0.354340 Zn\n0.000000 0.000000 0.645659 Zn\n0.500000 0.250000 0.749999 B\n0.750000 0.500000 0.249999 B\n0.250000 0.500000 0.749999 B\n0.750000 0.250000 0.499999 B\n0.250000 0.750000 0.499999 B\n0.500000 0.750000 0.249999 B\n0.000000 0.000000 0.000000 Se\n-0.000000 0.714742 0.427578 O\n0.714743 -0.000000 0.427578 O\n0.427579 0.000000 0.714742 O\n-0.000000 0.427578 0.714742 O\n0.287163 0.572421 0.572421 O\n0.572422 0.287163 0.572421 O\n0.285258 0.285257 0.712836 O\n0.714743 0.427578 -0.000000 O\n0.427578 0.714742 -0.000001 O\n0.572422 0.572421 0.287162 O\n0.712837 0.285257 0.285257 O\n0.285257 0.712837 0.285257 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Zn",
"B",
"Se",
"O"
],
"chemical_system": "B-O-Se-Zn",
"density": 4.297495966213705,
"density_atomic": 0.09962977777722087,
"volume": 230.85467531032342,
"volume_molar": 6.044518912273324,
"formula_full": "Zn4 B6 Se1 O12",
"formula_reduced": "Zn4B6SeO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 2.7198696724637683,
"spacegroup": 217
},
{
"id": "jvasp-57814",
"created_at": "2022-09-04T14:38:02.061002Z",
"updated_at": "2022-09-04T14:38:02.061019Z",
"structure_string": "K2 Y1 Nb5 O15\n1.0\n3.969082 0.000000 0.000000\n0.000000 8.653168 -3.473407\n0.000000 0.000040 9.324262\nK Y Nb O\n2 1 5 15\ndirect\n0.000000 0.699841 0.300159 K\n0.000000 0.300159 0.699841 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.058109 0.317446 Nb\n0.500000 0.317446 0.058109 Nb\n0.500000 0.941892 0.682554 Nb\n0.500000 0.682555 0.941891 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.000000 0.723919 0.953868 O\n0.500000 0.272181 0.458282 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.276081 0.046131 O\n0.500000 0.727820 0.541717 O\n0.500000 0.165136 0.834864 O\n0.000000 0.046131 0.276081 O\n0.500000 0.874516 0.874515 O\n0.500000 0.541718 0.727819 O\n0.500000 0.458283 0.272180 O\n0.500000 0.834864 0.165136 O\n0.500000 0.125485 0.125485 O\n0.000000 0.953869 0.723919 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"K",
"Y",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Y",
"density": 4.519584672509063,
"density_atomic": 0.07182033277621623,
"volume": 320.2435732463857,
"volume_molar": 8.38500815467437,
"formula_full": "K2 Y1 Nb5 O15",
"formula_reduced": "K2YNb5O15",
"formula_anonymous": "AB2C5D15",
"energy_above_hull": 3.456761345652174,
"spacegroup": 65
},
{
"id": "jvasp-32180",
"created_at": "2022-09-04T14:37:37.019787Z",
"updated_at": "2022-09-04T14:37:37.019808Z",
"structure_string": "Mg1 Te1 H12 O9\n1.0\n5.907928 -0.055939 -0.811757\n-0.923354 5.835593 -0.811757\n-0.048245 -0.055939 5.963239\nMg Te H O\n1 1 12 9\ndirect\n0.002920 0.002920 0.002920 Mg\n0.553498 0.553497 0.553497 Te\n0.031877 0.538887 0.957494 H\n0.957494 0.031877 0.538887 H\n0.632232 0.737366 0.127389 H\n0.127389 0.632231 0.737366 H\n0.175994 0.814577 0.384352 H\n0.422807 0.283153 0.080178 H\n0.080178 0.422807 0.283153 H\n0.283153 0.080178 0.422807 H\n0.384352 0.175993 0.814577 H\n0.814578 0.384352 0.175993 H\n0.737366 0.127389 0.632231 H\n0.538888 0.957494 0.031877 H\n0.141822 0.965205 0.340101 O\n0.965206 0.340101 0.141821 O\n0.340101 0.141821 0.965206 O\n0.874680 0.050635 0.672253 O\n0.050634 0.672253 0.874680 O\n0.672254 0.874679 0.050634 O\n0.501580 0.239302 0.589791 O\n0.239303 0.589791 0.501580 O\n0.589792 0.501580 0.239302 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"Te",
"H",
"O"
],
"chemical_system": "H-Mg-O-Te",
"density": 2.49797008248264,
"density_atomic": 0.1123369101110027,
"volume": 204.74125536542857,
"volume_molar": 5.360785474737896,
"formula_full": "Mg1 Te1 H12 O9",
"formula_reduced": "MgTe(H4O3)3",
"formula_anonymous": "ABC9D12",
"energy_above_hull": 2.8597138398550728,
"spacegroup": 146
},
{
"id": "jvasp-31883",
"created_at": "2022-09-04T14:37:50.579102Z",
"updated_at": "2022-09-04T14:37:50.579128Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.340963 -0.032990 -0.251236\n-2.179373 4.953289 -1.379369\n0.063296 0.154975 8.764459\nCr B H\n1 6 16\ndirect\n0.000001 0.500001 0.500000 Cr\n0.314883 0.615816 0.293043 B\n0.685118 0.384185 0.706957 B\n0.102300 0.323574 0.123436 B\n0.267549 0.298593 0.310588 B\n0.897701 0.676427 0.876564 B\n0.732452 0.701408 0.689412 B\n0.117343 0.108686 0.186553 H\n0.925256 0.796405 0.595934 H\n0.074745 0.203597 0.404066 H\n0.801255 0.241754 0.092843 H\n0.744430 0.702275 0.984992 H\n0.198746 0.758247 0.907157 H\n0.191629 0.609115 0.157416 H\n0.882658 0.891315 0.813447 H\n0.469767 0.724175 0.660104 H\n0.808372 0.390887 0.842584 H\n0.142956 0.722656 0.372713 H\n0.530235 0.275826 0.339896 H\n0.397634 0.223976 0.685645 H\n0.255572 0.297726 0.015008 H\n0.857045 0.277345 0.627287 H\n0.602367 0.776025 0.314355 H\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cr",
"B",
"H"
],
"chemical_system": "B-Cr-H",
"density": 1.1689385940548815,
"density_atomic": 0.12174587592598698,
"volume": 188.91810359130685,
"volume_molar": 4.946484399735267,
"formula_full": "Cr1 B6 H16",
"formula_reduced": "Cr(B3H8)2",
"formula_anonymous": "AB6C16",
"energy_above_hull": 4.029622734782609,
"spacegroup": 2
},
{
"id": "jvasp-25012",
"created_at": "2022-09-04T14:37:50.685873Z",
"updated_at": "2022-09-04T14:37:50.685892Z",
"structure_string": "Zn3 Te1 As2 Pb3 O14\n1.0\n4.304747 -7.456040 0.000000\n4.304747 7.456040 -0.000000\n0.000000 -0.000000 5.290246\nZn Te As Pb O\n3 1 2 3 14\ndirect\n0.240798 0.000000 0.500000 Zn\n0.759202 0.759202 0.500000 Zn\n0.000000 0.240798 0.500000 Zn\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.546134 As\n0.666667 0.333333 0.453867 As\n0.596509 0.000000 0.000000 Pb\n0.403491 0.403491 0.000000 Pb\n0.000000 0.596509 0.000000 Pb\n0.213433 0.125483 0.786770 O\n0.333333 0.666667 0.223589 O\n0.786567 0.912051 0.213231 O\n0.183583 0.461897 0.680133 O\n0.874517 0.087950 0.786770 O\n0.666667 0.333333 0.776411 O\n0.125483 0.213433 0.213231 O\n0.087950 0.874517 0.213231 O\n0.278314 0.816417 0.680133 O\n0.816417 0.278314 0.319868 O\n0.461897 0.183583 0.319868 O\n0.538104 0.721687 0.680133 O\n0.912051 0.786567 0.786770 O\n0.721687 0.538104 0.319868 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Zn",
"Te",
"As",
"Pb",
"O"
],
"chemical_system": "As-O-Pb-Te-Zn",
"density": 6.450871046443833,
"density_atomic": 0.06772766633836598,
"volume": 339.59534180747477,
"volume_molar": 8.891699781760549,
"formula_full": "Zn3 Te1 As2 Pb3 O14",
"formula_reduced": "Zn3TeAs2Pb3O14",
"formula_anonymous": "AB2C3D3E14",
"energy_above_hull": 1.891871475072464,
"spacegroup": 150
},
{
"id": "jvasp-41561",
"created_at": "2022-09-04T14:37:49.325912Z",
"updated_at": "2022-09-04T14:37:49.325922Z",
"structure_string": "U6 Co12 Ge4 C1\n1.0\n-4.331766 4.331766 4.331766\n4.331766 -4.331766 4.331766\n4.331766 4.331766 -4.331766\nU Co Ge C\n6 12 4 1\ndirect\n0.000000 0.280614 0.280614 U\n0.000000 0.719388 0.719388 U\n0.280614 0.000000 0.280614 U\n0.280614 0.280614 0.000000 U\n0.719388 0.000000 0.719388 U\n0.719388 0.719388 0.000000 U\n0.649691 0.350309 0.000000 Co\n0.649691 0.299382 0.649691 Co\n0.649691 0.649691 0.299382 Co\n0.649691 0.000000 0.350309 Co\n0.350309 0.649691 0.000000 Co\n0.350309 0.000000 0.649691 Co\n0.350309 0.350309 0.700618 Co\n0.350309 0.700618 0.350309 Co\n0.000000 0.649691 0.350309 Co\n0.299382 0.649691 0.649691 Co\n0.000000 0.350309 0.649691 Co\n0.700618 0.350309 0.350309 Co\n0.500001 0.500001 0.500001 Ge\n0.000000 0.000000 0.500001 Ge\n0.500001 0.000000 0.000000 Ge\n0.000000 0.500001 0.000000 Ge\n0.000000 0.000000 0.000000 C\n",
"nsites": 23,
"nelements": 4,
"elements": [
"U",
"Co",
"Ge",
"C"
],
"chemical_system": "C-Co-Ge-U",
"density": 12.451383224733004,
"density_atomic": 0.07074127452247245,
"volume": 325.12843676139266,
"volume_molar": 8.512909614155936,
"formula_full": "U6 Co12 Ge4 C1",
"formula_reduced": "U6Co12Ge4C",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 4.660540895652173,
"spacegroup": 229
},
{
"id": "jvasp-41383",
"created_at": "2022-09-04T14:37:53.701710Z",
"updated_at": "2022-09-04T14:37:53.701743Z",
"structure_string": "Mg1 H8 Cl2 O12\n1.0\n2.256071 0.000000 -5.659391\n-5.552464 -3.910122 0.076741\n-5.552464 3.910122 0.076741\nMg H Cl O\n1 8 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.751232 0.247816 0.044580 H\n0.751232 0.044580 0.247816 H\n0.865408 0.617841 0.280744 H\n0.134591 0.719255 0.382158 H\n0.865408 0.280744 0.617841 H\n0.134591 0.382158 0.719255 H\n0.248768 0.955419 0.752184 H\n0.248768 0.752184 0.955419 H\n0.404697 0.301882 0.301882 Cl\n0.595304 0.698117 0.698117 Cl\n0.683265 0.506772 0.810315 O\n0.000001 0.257716 0.742284 O\n0.333694 0.641053 0.641053 O\n0.683265 0.810315 0.506772 O\n0.316734 0.189684 0.493228 O\n0.818237 0.121680 0.121680 O\n0.000001 0.742284 0.257716 O\n0.316734 0.493228 0.189684 O\n0.337258 0.159481 0.159481 O\n0.662743 0.840520 0.840520 O\n0.666307 0.358946 0.358946 O\n0.181762 0.878320 0.878320 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mg-O",
"density": 2.00626434743074,
"density_atomic": 0.09411341053319856,
"volume": 244.386000567759,
"volume_molar": 6.398812587793412,
"formula_full": "Mg1 H8 Cl2 O12",
"formula_reduced": "MgH8(ClO6)2",
"formula_anonymous": "AB2C8D12",
"energy_above_hull": 2.670892138478261,
"spacegroup": 12
},
{
"id": "jvasp-31334",
"created_at": "2022-09-04T14:38:03.339121Z",
"updated_at": "2022-09-04T14:38:03.339151Z",
"structure_string": "Mg1 H12 Se1 O9\n1.0\n5.872169 -0.059136 -0.801670\n-0.910597 5.801437 -0.801670\n-0.051096 -0.059136 5.926417\nMg H Se O\n1 12 1 9\ndirect\n-0.000090 -0.000090 -0.000090 Mg\n0.382201 0.189323 0.815585 H\n0.284024 0.085121 0.421290 H\n0.085121 0.421290 0.284025 H\n0.421289 0.284025 0.085121 H\n0.740809 0.136460 0.630260 H\n0.136460 0.630260 0.740810 H\n0.630260 0.740809 0.136461 H\n0.954376 0.027639 0.536271 H\n0.027639 0.536271 0.954377 H\n0.815584 0.382201 0.189323 H\n0.536271 0.954377 0.027640 H\n0.189323 0.815585 0.382201 H\n0.542009 0.542009 0.542010 Se\n0.964212 0.339528 0.146570 O\n0.339528 0.146569 0.964213 O\n0.874932 0.056211 0.671834 O\n0.056211 0.671834 0.874933 O\n0.671834 0.874933 0.056212 O\n0.501593 0.257185 0.587847 O\n0.257185 0.587847 0.501594 O\n0.587846 0.501594 0.257186 O\n0.146569 0.964212 0.339528 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"H",
"Se",
"O"
],
"chemical_system": "H-Mg-O-Se",
"density": 2.1424756689241473,
"density_atomic": 0.11441954411063636,
"volume": 201.01460968731422,
"volume_molar": 5.263209888493329,
"formula_full": "Mg1 H12 Se1 O9",
"formula_reduced": "MgH12SeO9",
"formula_anonymous": "ABC9D12",
"energy_above_hull": 2.8872510398550726,
"spacegroup": 146
},
{
"id": "jvasp-46799",
"created_at": "2022-09-04T14:38:02.429331Z",
"updated_at": "2022-09-04T14:38:02.429351Z",
"structure_string": "Mn5 Si4 O14\n1.0\n-5.650691 0.000951 -0.177932\n2.338566 7.113670 0.135390\n-0.420018 -3.430371 -7.311468\nMn Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.097862 0.424463 0.793397 Mn\n0.656769 0.571895 0.711880 Mn\n0.343230 0.428105 0.288120 Mn\n0.902137 0.575537 0.206603 Mn\n0.517626 0.211542 0.858421 Si\n0.758183 0.236219 0.379285 Si\n0.241816 0.763781 0.620716 Si\n0.482373 0.788458 0.141579 Si\n0.476695 0.979091 0.686872 O\n0.580950 0.640750 0.203332 O\n0.000757 0.810429 0.745031 O\n0.325422 0.585979 0.647729 O\n0.669714 0.822907 0.980734 O\n0.330285 0.177093 0.019266 O\n0.523305 0.020909 0.313128 O\n-0.000758 0.189571 0.254969 O\n0.419050 0.359250 0.796668 O\n0.165902 0.658717 0.400011 O\n0.834097 0.341283 0.599989 O\n0.812080 0.314914 0.940873 O\n0.674578 0.414021 0.352271 O\n0.187919 0.685086 0.059127 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si",
"density": 3.472523805001375,
"density_atomic": 0.07871650905398066,
"volume": 292.1877542133825,
"volume_molar": 7.650416453135967,
"formula_full": "Mn5 Si4 O14",
"formula_reduced": "Mn5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy_above_hull": 3.6372843307346328,
"spacegroup": 2
}
]
}