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=1524",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1522",
"results": [
{
"id": "jvasp-44051",
"created_at": "2022-09-04T14:36:42.119686Z",
"updated_at": "2022-09-04T14:36:42.119719Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.092196 2.842701 -0.144208\n-5.092196 2.842701 0.144208\n-0.205903 0.000000 5.343688\nLi Mn F\n4 2 8\ndirect\n0.350695 0.944113 0.783695 Li\n0.055886 0.649305 0.283695 Li\n0.944114 0.350695 0.716306 Li\n0.649305 0.055886 0.216306 Li\n0.663671 0.663671 0.750000 Mn\n0.336329 0.336329 0.250000 Mn\n0.721225 0.019160 0.884923 F\n0.980840 0.278775 0.384923 F\n0.268261 0.500984 0.909525 F\n0.499016 0.731739 0.409525 F\n0.500984 0.268260 0.590476 F\n0.731739 0.499015 0.090476 F\n0.019160 0.721225 0.615078 F\n0.278775 0.980839 0.115077 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.112113277343641,
"density_atomic": 0.0905930362915915,
"volume": 154.53726437579869,
"volume_molar": 6.647465419545666,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.418666910197044,
"spacegroup": 15
},
{
"id": "jvasp-100398",
"created_at": "2022-09-04T14:36:42.120219Z",
"updated_at": "2022-09-04T14:36:42.120243Z",
"structure_string": "Fe3 Ni1 P4\n1.0\n3.271367 0.000000 0.000000\n0.000000 5.067335 0.031246\n0.000000 -0.002879 5.664395\nFe Ni P\n3 1 4\ndirect\n0.500000 0.997729 0.200706 Fe\n0.000000 0.500159 0.705270 Fe\n0.000000 0.998897 0.798716 Fe\n0.500000 0.499296 0.301080 Ni\n0.500000 0.704073 0.911137 P\n0.500000 0.188599 0.583033 P\n0.000000 0.295014 0.074901 P\n0.000000 0.816237 0.425165 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"P"
],
"chemical_system": "Fe-Ni-P",
"density": 6.191651695662952,
"density_atomic": 0.08519737429538983,
"volume": 93.8996074252595,
"volume_molar": 7.068458165295674,
"formula_full": "Fe3 Ni1 P4",
"formula_reduced": "Fe3NiP4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.3138738625000004,
"spacegroup": 6
},
{
"id": "jvasp-103554",
"created_at": "2022-09-04T14:36:42.146324Z",
"updated_at": "2022-09-04T14:36:42.146338Z",
"structure_string": "K2 Ti1 Ag1 F6\n1.0\n5.318018 -0.000000 3.070359\n1.772673 5.013876 3.070359\n-0.000000 -0.000000 6.140718\nK Ti Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750001 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ag\n0.227283 0.227283 0.772718 F\n0.227282 0.772718 0.772718 F\n0.772717 0.772718 0.227283 F\n0.227282 0.772718 0.227283 F\n0.772717 0.227283 0.772718 F\n0.772717 0.227283 0.227283 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ti",
"Ag",
"F"
],
"chemical_system": "Ag-F-K-Ti",
"density": 3.5284885824991323,
"density_atomic": 0.06107415321178737,
"volume": 163.7353851689587,
"volume_molar": 9.860375368802856,
"formula_full": "K2 Ti1 Ag1 F6",
"formula_reduced": "K2TiAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99449",
"created_at": "2022-09-04T14:36:42.146704Z",
"updated_at": "2022-09-04T14:36:42.146724Z",
"structure_string": "K1 Na1 Mg2 F6\n1.0\n3.959867 -0.000000 0.000000\n0.000000 3.959867 0.000000\n-0.000000 -0.000000 7.917063\nK Na Mg F\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 -0.000000 Na\n0.000000 0.000000 0.246383 Mg\n0.000000 0.000000 0.753616 Mg\n0.500000 0.000000 0.242889 F\n0.500000 0.000000 0.757111 F\n-0.000000 0.500000 0.757111 F\n-0.000000 0.500000 0.242889 F\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Mg",
"F"
],
"chemical_system": "F-K-Mg-Na",
"density": 3.005416180557597,
"density_atomic": 0.08055169808828502,
"volume": 124.14387576336324,
"volume_molar": 7.476118943389259,
"formula_full": "K1 Na1 Mg2 F6",
"formula_reduced": "KNaMg2F6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0014469999999996,
"spacegroup": 123
},
{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Er-Mn-Si",
"density": 7.81256958029276,
"density_atomic": 0.07415471803881017,
"volume": 134.8531862094914,
"volume_molar": 8.12104869288048,
"formula_full": "Er2 Mn4 Si2 C2",
"formula_reduced": "ErMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.941244616551724,
"spacegroup": 63
},
{
"id": "jvasp-36222",
"created_at": "2022-09-04T14:36:42.148192Z",
"updated_at": "2022-09-04T14:36:42.148220Z",
"structure_string": "Ti1 O2\n1.0\n2.413397 2.413397 -0.000000\n2.413397 -0.000000 -2.413397\n0.000000 2.413397 -2.413397\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 O\n0.750001 0.750001 0.750001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.717301586366027,
"density_atomic": 0.10670995909494975,
"volume": 28.113589635346234,
"volume_molar": 5.64346646843107,
"formula_full": "Ti1 O2",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5606784444444446,
"spacegroup": 225
},
{
"id": "jvasp-100708",
"created_at": "2022-09-04T14:36:42.148602Z",
"updated_at": "2022-09-04T14:36:42.148627Z",
"structure_string": "Ag1 Ge3\n1.0\n3.813608 -0.258688 -3.363198\n-0.947017 3.703199 -3.363198\n0.215285 0.258688 5.080193\nAg Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.499999 Ge\n0.249999 0.750000 0.499999 Ge\n0.500000 0.500000 -0.000001 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge",
"density": 6.979435585779646,
"density_atomic": 0.05160548299471023,
"volume": 77.51114354282889,
"volume_molar": 11.669575422087018,
"formula_full": "Ag1 Ge3",
"formula_reduced": "AgGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6031462774999999,
"spacegroup": 139
},
{
"id": "jvasp-103932",
"created_at": "2022-09-04T14:36:42.174480Z",
"updated_at": "2022-09-04T14:36:42.174501Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.117495 0.000010 0.270033\n1.990623 4.062914 0.195969\n0.169367 -0.353923 16.404992\nZn H C O\n1 18 11 4\ndirect\n0.083245 0.016706 0.154078 Zn\n0.770312 0.295581 0.499355 H\n0.364230 0.787341 0.419780 H\n0.925948 0.594341 0.893182 H\n0.239418 0.784658 0.732012 H\n0.937907 0.605267 0.732766 H\n0.282265 0.790114 0.574933 H\n0.982638 0.609679 0.573031 H\n0.463338 0.125056 0.494650 H\n0.240616 0.759625 0.890376 H\n0.693940 0.229507 0.953805 H\n0.368119 0.080802 0.961522 H\n0.685172 0.283763 0.803820 H\n0.376572 0.112451 0.806484 H\n0.713131 0.299715 0.651656 H\n0.410153 0.122866 0.651271 H\n0.865040 0.259789 0.350296 H\n0.531373 0.135555 0.333189 H\n0.059945 0.615589 0.412517 H\n0.281793 0.457917 0.045546 C\n0.398544 0.310046 0.960403 C\n0.218326 0.526618 0.888428 C\n0.392979 0.349183 0.807212 C\n0.228129 0.545766 0.731203 C\n0.348057 0.551235 0.417451 C\n0.271955 0.550763 0.574074 C\n0.479936 0.361483 0.496395 C\n0.574742 0.355785 0.342175 C\n0.499392 0.544694 0.262781 C\n0.422528 0.361402 0.651966 C\n0.132079 0.772012 0.052742 O\n0.724589 0.455762 0.200874 O\n0.198306 0.804700 0.261056 O\n0.357673 0.260363 0.105555 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6927298530713846,
"density_atomic": 0.12392984533928375,
"volume": 274.34876487514305,
"volume_molar": 4.859314351206633,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.5757248352941176,
"spacegroup": 1
},
{
"id": "jvasp-104842",
"created_at": "2022-09-04T14:36:42.175052Z",
"updated_at": "2022-09-04T14:36:42.175083Z",
"structure_string": "Cr1 H3\n1.0\n2.741326 -0.000000 0.000000\n0.000000 2.741326 0.000000\n0.000000 -0.000000 2.741326\nCr H\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500001 0.500001 H\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 -0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 4.434932319992322,
"density_atomic": 0.1941681245723132,
"volume": 20.60070368816019,
"volume_molar": 3.1015084341287955,
"formula_full": "Cr1 H3",
"formula_reduced": "CrH3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.18620685,
"spacegroup": 221
},
{
"id": "jvasp-101403",
"created_at": "2022-09-04T14:36:42.175708Z",
"updated_at": "2022-09-04T14:36:42.175731Z",
"structure_string": "Li2 Cd1 Ag1\n1.0\n3.939279 0.000000 2.274343\n1.313093 3.713988 2.274343\n0.000000 0.000000 4.548688\nLi Cd Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Li",
"density": 5.842794965634258,
"density_atomic": 0.06010583090115431,
"volume": 66.54928382203234,
"volume_molar": 10.019228866336737,
"formula_full": "Li2 Cd1 Ag1",
"formula_reduced": "Li2CdAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1974233333333333,
"spacegroup": 225
},
{
"id": "jvasp-102129",
"created_at": "2022-09-04T14:36:42.187199Z",
"updated_at": "2022-09-04T14:36:42.187229Z",
"structure_string": "Sr6 Yb2\n1.0\n8.209185 0.000000 -0.000000\n-4.104593 7.109363 0.000000\n-0.000000 0.000000 6.740644\nYb Sr\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168008 0.336017 0.250000 Sr\n0.663983 0.831991 0.250000 Sr\n0.168009 0.831991 0.250000 Sr\n0.831991 0.663983 0.750000 Sr\n0.336017 0.168008 0.750000 Sr\n0.831991 0.168008 0.750000 Sr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Sr"
],
"chemical_system": "Sr-Yb",
"density": 3.6798815421159583,
"density_atomic": 0.02033564086662671,
"volume": 393.3979780853125,
"volume_molar": 29.61372498411434,
"formula_full": "Sr6 Yb2",
"formula_reduced": "Sr3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001749999999999,
"spacegroup": 194
},
{
"id": "jvasp-12261",
"created_at": "2022-09-04T14:36:42.188446Z",
"updated_at": "2022-09-04T14:36:42.188472Z",
"structure_string": "Ni3 Te1 O6\n1.0\n4.539662 -0.007465 3.067250\n1.625433 4.238698 3.067250\n-0.010877 -0.007466 5.478726\nNi Te O\n3 1 6\ndirect\n0.011803 0.011803 0.011803 Ni\n0.217219 0.217220 0.217220 Ni\n0.507761 0.507763 0.507763 Ni\n0.710666 0.710668 0.710669 Te\n0.099220 0.811010 0.427711 O\n0.811009 0.427711 0.099221 O\n0.427709 0.099221 0.811011 O\n0.317950 0.613008 0.915222 O\n0.915220 0.317952 0.613009 O\n0.613007 0.915222 0.317952 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Te",
"density": 6.279012576373093,
"density_atomic": 0.09460923552141011,
"volume": 105.69792626362567,
"volume_molar": 6.3652778999965465,
"formula_full": "Ni3 Te1 O6",
"formula_reduced": "Ni3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.1252005966666663,
"spacegroup": 146
}
]
}