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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4076",
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"results": [
{
"id": "jvasp-46381",
"created_at": "2022-09-04T14:38:09.049859Z",
"updated_at": "2022-09-04T14:38:09.049885Z",
"structure_string": "Tm4 Mn4 O14\n1.0\n-0.000000 4.930425 4.930425\n4.930425 0.000000 4.930425\n4.930425 4.930425 0.000000\nTm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.919560 0.330441 0.919560 O\n0.625001 0.625001 0.625001 O\n0.330441 0.330441 0.919560 O\n0.919560 0.919560 0.330441 O\n0.330441 0.919560 0.330441 O\n0.080441 0.669560 0.080441 O\n0.080441 0.080441 0.669560 O\n0.375000 0.375000 0.375000 O\n0.669560 0.669560 0.080441 O\n0.080441 0.669560 0.669560 O\n0.919560 0.330441 0.330441 O\n0.669560 0.080441 0.080441 O\n0.669560 0.080441 0.669560 O\n0.330441 0.919560 0.919560 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 7.755014441855485,
"density_atomic": 0.09177821664998233,
"volume": 239.70829683804098,
"volume_molar": 6.561623204084298,
"formula_full": "Tm4 Mn4 O14",
"formula_reduced": "Tm2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.824146134796238,
"spacegroup": 227
},
{
"id": "jvasp-30534",
"created_at": "2022-09-04T14:37:17.522327Z",
"updated_at": "2022-09-04T14:37:17.522346Z",
"structure_string": "Mg2 Fe8 O18\n1.0\n4.484563 0.000030 -0.000111\n-0.000205 8.248150 0.000116\n0.000732 0.000140 8.247741\nMg Fe O\n2 8 18\ndirect\n0.124022 0.250015 0.249991 Mg\n0.875978 0.749983 0.750014 Mg\n0.403201 0.657420 0.033384 Fe\n0.596827 0.157439 0.533370 Fe\n0.596811 0.966644 0.157420 Fe\n0.403217 0.466602 0.657437 Fe\n0.596804 0.342580 0.966616 Fe\n0.403166 0.842562 0.466628 Fe\n0.596790 0.533399 0.342563 Fe\n0.403183 0.033357 0.842579 Fe\n0.954898 0.179808 0.485690 O\n0.548918 0.854052 0.954541 O\n0.548938 0.545460 0.854067 O\n0.451072 0.454542 0.145932 O\n0.451117 0.354088 0.454546 O\n0.451082 0.145949 0.045457 O\n0.451133 0.045450 0.354080 O\n0.954891 0.014310 0.179791 O\n0.045161 0.514287 0.679806 O\n0.954860 0.320213 0.014299 O\n0.045098 0.820191 0.514313 O\n0.045104 0.985688 0.820210 O\n0.548882 0.645914 0.545453 O\n0.045146 0.679785 0.985706 O\n0.500021 0.250007 0.749998 O\n0.499979 0.749994 0.250001 O\n0.954844 0.485714 0.320196 O\n0.548856 0.954552 0.645917 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.263814973999926,
"density_atomic": 0.09177963708004082,
"volume": 305.0785652549624,
"volume_molar": 6.561521652943675,
"formula_full": "Mg2 Fe8 O18",
"formula_reduced": "MgFe4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.958993753571429,
"spacegroup": 85
},
{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
"updated_at": "2022-09-04T14:36:14.303683Z",
"structure_string": "Dy4 Mn8 O20\n1.0\n5.656007 0.000000 0.000000\n0.000000 7.232405 -0.000000\n0.000000 0.000000 8.523048\nDy Mn O\n4 8 20\ndirect\n0.000000 0.137772 0.172285 Dy\n0.000000 0.637772 0.327715 Dy\n0.000000 0.362228 0.672285 Dy\n0.000000 0.862229 0.827715 Dy\n0.255825 0.000000 0.500000 Mn\n0.744176 0.500000 0.000000 Mn\n0.744176 0.000000 0.500000 Mn\n0.255825 0.500000 0.000000 Mn\n0.500000 0.406333 0.351904 Mn\n0.500000 0.593667 0.648096 Mn\n0.500000 0.906334 0.148096 Mn\n0.500000 0.093667 0.851904 Mn\n0.000000 0.334847 0.945273 O\n0.000000 0.665154 0.054728 O\n0.000000 0.834847 0.554728 O\n0.000000 0.165154 0.445272 O\n0.245716 0.896479 0.293014 O\n0.729518 0.500000 0.500000 O\n0.270482 0.000000 0.000000 O\n0.500000 0.154815 0.431929 O\n0.500000 0.845185 0.568071 O\n0.500000 0.654816 0.068071 O\n0.500000 0.345185 0.931929 O\n0.245716 0.396479 0.206986 O\n0.245716 0.603522 0.793015 O\n0.754284 0.896479 0.293014 O\n0.754284 0.103522 0.706986 O\n0.754284 0.603522 0.793015 O\n0.754284 0.396479 0.206986 O\n0.245716 0.103522 0.706986 O\n0.729518 0.000000 0.000000 O\n0.270482 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Mn-O",
"density": 6.713116952215912,
"density_atomic": 0.09178302517608762,
"volume": 348.6483468877534,
"volume_molar": 6.561279439685497,
"formula_full": "Dy4 Mn8 O20",
"formula_reduced": "DyMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.871002310344827,
"spacegroup": 55
},
{
"id": "jvasp-67521",
"created_at": "2022-09-04T14:36:00.617604Z",
"updated_at": "2022-09-04T14:36:00.617640Z",
"structure_string": "Li1 Be2 Ir1\n1.0\n2.935361 0.000000 0.000000\n-0.000000 2.935361 0.000000\n0.000000 -0.000000 5.057807\nLi Be Ir\n1 2 1\ndirect\n0.500000 0.500000 0.750249 Li\n0.000000 0.000000 0.016388 Be\n0.500000 0.500000 0.263387 Be\n0.000000 0.000000 0.469978 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Li",
"density": 8.27538791497203,
"density_atomic": 0.09178563114781563,
"volume": 43.57980601079295,
"volume_molar": 6.56109315226223,
"formula_full": "Li1 Be2 Ir1",
"formula_reduced": "LiBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.211198325,
"spacegroup": 99
},
{
"id": "jvasp-122115",
"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 5.188559831696983,
"density_atomic": 0.09178906998943893,
"volume": 217.8908665519888,
"volume_molar": 6.560847343472262,
"formula_full": "Li2 Mn4 Te2 O12",
"formula_reduced": "LiMn2TeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-37981",
"created_at": "2022-09-04T14:38:17.885253Z",
"updated_at": "2022-09-04T14:38:17.885270Z",
"structure_string": "Co1 Te1 O3\n1.0\n3.790715 -0.000000 -0.000000\n-0.000000 3.790715 -0.000000\n-0.000000 0.000000 3.790715\nCo Te O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Co\n0.000000 0.000000 0.000000 Te\n0.499999 0.499999 0.000000 O\n0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 7.149681291701809,
"density_atomic": 0.09179237419929702,
"volume": 54.470755807493774,
"volume_molar": 6.560611175526299,
"formula_full": "Co1 Te1 O3",
"formula_reduced": "CoTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3150118333333336,
"spacegroup": 221
},
{
"id": "jvasp-43636",
"created_at": "2022-09-04T14:37:52.144460Z",
"updated_at": "2022-09-04T14:37:52.144477Z",
"structure_string": "Li2 V2 F8\n1.0\n-3.278739 3.278739 3.040178\n3.278739 -3.278739 3.040178\n3.278739 3.278739 -3.040178\nLi V F\n2 2 8\ndirect\n0.487719 0.487719 0.000000 Li\n0.237719 0.737719 0.500000 Li\n0.010770 0.010770 0.000000 V\n0.760770 0.260770 0.500000 V\n0.712892 0.012732 0.700160 F\n0.312572 0.012732 0.299840 F\n0.787894 0.488024 0.299870 F\n0.238023 0.438155 0.200130 F\n0.762733 0.962893 0.200160 F\n0.762733 0.562572 0.799841 F\n0.238023 0.037893 0.799870 F\n0.188154 0.488023 0.700130 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4010223857949193,
"density_atomic": 0.0917927856458317,
"volume": 130.7292279624256,
"volume_molar": 6.560581768632124,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3155992216666666,
"spacegroup": 109
},
{
"id": "jvasp-34279",
"created_at": "2022-09-04T14:36:34.493343Z",
"updated_at": "2022-09-04T14:36:34.493369Z",
"structure_string": "Li2 Nb2 O6\n1.0\n4.622421 0.047775 3.091668\n1.676378 4.307977 3.092005\n0.069067 0.047981 5.560709\nLi Nb O\n2 2 6\ndirect\n0.786658 0.786670 0.786838 Li\n0.286688 0.286833 0.286648 Li\n0.005436 0.005514 0.005550 Nb\n0.505446 0.505566 0.505491 Nb\n0.873848 0.609094 0.224650 O\n0.224838 0.873904 0.608995 O\n0.109098 0.373843 0.724777 O\n0.373852 0.724626 0.109102 O\n0.724834 0.108996 0.373906 O\n0.609106 0.224751 0.873849 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 4.507136501060097,
"density_atomic": 0.09179378390377887,
"volume": 108.93983856774348,
"volume_molar": 6.5605104222662805,
"formula_full": "Li2 Nb2 O6",
"formula_reduced": "LiNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.32037198,
"spacegroup": 161
},
{
"id": "jvasp-71940",
"created_at": "2022-09-04T14:36:05.285628Z",
"updated_at": "2022-09-04T14:36:05.285650Z",
"structure_string": "Be1 Co2 Os1\n1.0\n-1.725599 1.725599 3.658459\n1.725599 -1.725599 3.658459\n1.725599 1.725599 -3.658459\nBe Co Os\n1 2 1\ndirect\n0.750001 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.250000 0.750001 0.500000 Os\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.084234237508495,
"density_atomic": 0.09179563847329389,
"volume": 43.5750550519208,
"volume_molar": 6.560377878685405,
"formula_full": "Be1 Co2 Os1",
"formula_reduced": "BeCo2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5869957250000004,
"spacegroup": 139
},
{
"id": "jvasp-116648",
"created_at": "2022-09-04T14:38:41.518160Z",
"updated_at": "2022-09-04T14:38:41.518188Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n5.361616 -0.000000 0.000000\n0.000000 5.362650 0.000000\n-0.000000 -0.000000 7.577617\nSr Ca Mn O\n2 2 4 12\ndirect\n0.018965 0.247904 0.500000 Sr\n0.518965 0.752096 0.500000 Sr\n0.965078 0.256025 -0.000000 Ca\n0.465078 0.743975 -0.000000 Ca\n0.492623 0.246548 0.755351 Mn\n-0.007377 0.753452 0.244649 Mn\n0.492623 0.246548 0.244649 Mn\n-0.007377 0.753452 0.755351 Mn\n0.017414 0.817989 -0.000000 O\n0.517414 0.182011 -0.000000 O\n0.722132 0.532028 0.788751 O\n0.222132 0.467972 0.211249 O\n0.283067 0.969508 0.269855 O\n0.722132 0.532028 0.211249 O\n0.283067 0.969508 0.730146 O\n0.783068 0.030492 0.269855 O\n0.502904 0.294044 0.500000 O\n0.222132 0.467972 0.788751 O\n0.783068 0.030492 0.730146 O\n0.002903 0.705956 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 5.08462473381012,
"density_atomic": 0.09179566774436133,
"volume": 217.87520578528094,
"volume_molar": 6.5603757867646415,
"formula_full": "Sr2 Ca2 Mn4 O12",
"formula_reduced": "SrCaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.377509221275861,
"spacegroup": 26
},
{
"id": "jvasp-43686",
"created_at": "2022-09-04T14:38:11.304681Z",
"updated_at": "2022-09-04T14:38:11.304706Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n6.487550 -0.002366 0.023277\n-0.538011 6.465204 -0.023277\n-0.600096 0.552434 5.190658\nLi Mn O F\n4 4 4 8\ndirect\n0.218466 0.609416 0.665813 Li\n0.390583 0.781533 0.165813 Li\n0.609416 0.218465 0.834188 Li\n0.781534 0.390582 0.334187 Li\n0.089407 0.089407 0.750000 Mn\n0.259539 0.259538 0.250000 Mn\n0.740461 0.740460 0.750000 Mn\n0.910593 0.910591 0.250000 Mn\n0.001393 0.193359 0.401128 O\n0.806640 -0.001395 0.901129 O\n0.193359 0.001393 0.098872 O\n-0.001394 0.806640 0.598872 O\n0.128402 0.376879 0.867180 F\n0.290781 0.536783 0.355797 F\n0.376879 0.128401 0.632821 F\n0.463216 0.709217 0.855797 F\n0.536784 0.290781 0.144203 F\n0.623120 0.871597 0.367180 F\n0.709218 0.463215 0.644204 F\n0.871598 0.623119 0.132820 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5326044823404295,
"density_atomic": 0.09179631194920015,
"volume": 217.8736767885397,
"volume_molar": 6.560329747596655,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0017282612758618,
"spacegroup": 15
},
{
"id": "jvasp-12429",
"created_at": "2022-09-04T14:37:17.991190Z",
"updated_at": "2022-09-04T14:37:17.991212Z",
"structure_string": "Li4 Pb2 O6\n1.0\n5.323046 -0.035439 -0.958283\n-2.893469 4.468100 -0.958283\n0.031892 0.058186 5.494967\nLi Pb O\n4 2 6\ndirect\n0.256760 0.743241 0.750001 Li\n0.743241 0.256760 0.250001 Li\n0.581512 0.418489 0.750001 Li\n0.418488 0.581512 0.250001 Li\n0.089359 0.910641 0.250001 Pb\n0.910641 0.089360 0.750001 Pb\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500001 O\n0.672583 0.833870 0.992700 O\n0.166130 0.327418 0.507302 O\n0.327418 0.166130 0.007302 O\n0.833870 0.672583 0.492699 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Li-O-Pb",
"density": 6.836050699009803,
"density_atomic": 0.09179640768698721,
"volume": 130.7240697361307,
"volume_molar": 6.56032290559196,
"formula_full": "Li4 Pb2 O6",
"formula_reduced": "Li2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3727218866666666,
"spacegroup": 15
}
]
}