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=-formula_anonymous&page=579",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=577",
"results": [
{
"id": "jvasp-116333",
"created_at": "2022-09-04T14:38:30.776714Z",
"updated_at": "2022-09-04T14:38:30.776735Z",
"structure_string": "Mg1 Zn1 O3\n1.0\n2.756561 -2.752566 -0.045452\n2.756561 2.752566 -0.045452\n-0.760304 0.000000 4.485647\nMg Zn O\n1 1 3\ndirect\n0.457583 0.457583 0.750651 Mg\n-0.003800 -0.003800 0.003115 Zn\n0.485761 -0.026506 0.871476 O\n-0.026506 0.485761 0.871476 O\n0.200324 0.200324 0.389935 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"O"
],
"chemical_system": "Mg-O-Zn",
"density": 3.368810116868793,
"density_atomic": 0.07365886509875971,
"volume": 67.88049195838332,
"volume_molar": 8.175717548628647,
"formula_full": "Mg1 Zn1 O3",
"formula_reduced": "MgZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7553079899999999,
"spacegroup": 8
},
{
"id": "jvasp-56879",
"created_at": "2022-09-04T14:38:34.519152Z",
"updated_at": "2022-09-04T14:38:34.519179Z",
"structure_string": "Fe3 Ni1 N1\n1.0\n3.761724 -0.000000 -0.000000\n-0.000000 3.761724 0.000000\n-0.000000 0.000000 3.761724\nFe Ni N\n3 1 1\ndirect\n0.000000 0.499999 0.499999 Fe\n0.499999 0.000000 0.499999 Fe\n0.499999 0.499999 0.000000 Fe\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.499999 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"N"
],
"chemical_system": "Fe-N-Ni",
"density": 7.494191298215177,
"density_atomic": 0.0939310593993452,
"volume": 53.23052919846931,
"volume_molar": 6.411234791249444,
"formula_full": "Fe3 Ni1 N1",
"formula_reduced": "Fe3NiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.4929304300000004,
"spacegroup": 221
},
{
"id": "jvasp-40205",
"created_at": "2022-09-04T14:38:34.480449Z",
"updated_at": "2022-09-04T14:38:34.480485Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-0.000000 0.000000 -7.004564\n-5.990911 0.021717 -3.502282\n-2.002883 5.645930 -3.502282\nCa Sn S\n2 2 6\ndirect\n0.710868 0.219636 0.280329 Ca\n0.210834 0.780363 0.719671 Ca\n0.494394 -0.000000 -0.000000 Sn\n0.994402 0.500000 0.500000 Sn\n0.313664 0.380910 0.119088 S\n0.813662 0.619090 0.880913 S\n0.313209 0.158165 0.688503 S\n0.159877 0.841835 0.311498 S\n0.659879 0.811481 0.341845 S\n0.813205 0.188518 0.658156 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.578818708201609,
"density_atomic": 0.042261935154028735,
"volume": 236.6195481478496,
"volume_molar": 14.249562255139477,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.996018424,
"spacegroup": 46
},
{
"id": "jvasp-115916",
"created_at": "2022-09-04T14:38:39.934372Z",
"updated_at": "2022-09-04T14:38:39.934400Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.635461 0.000000 -0.000000\n-0.000000 5.635461 -0.000000\n0.000000 0.000000 5.635461\nRb Pb Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 3.7022250669255206,
"density_atomic": 0.027937121624325347,
"volume": 178.9733411779405,
"volume_molar": 21.556053057221245,
"formula_full": "Rb1 Pb1 Cl3",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.014496,
"spacegroup": 221
},
{
"id": "jvasp-36935",
"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl-K",
"density": 2.0219243379887533,
"density_atomic": 0.03281400621241877,
"volume": 304.74791573042995,
"volume_molar": 18.352348448452677,
"formula_full": "K2 Ca2 Cl6",
"formula_reduced": "KCaCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-21045",
"created_at": "2022-09-04T14:38:34.370810Z",
"updated_at": "2022-09-04T14:38:34.370834Z",
"structure_string": "Zn8 Se8 O24\n1.0\n6.261640 -0.000000 0.000000\n-0.000000 7.175826 0.000000\n0.000000 0.000000 12.139121\nZn Se O\n8 8 24\ndirect\n0.863043 0.393070 0.595069 Zn\n0.363043 0.606931 0.904931 Zn\n0.636957 0.893070 0.404931 Zn\n0.136957 0.106931 0.095069 Zn\n0.136957 0.606931 0.404931 Zn\n0.636957 0.393070 0.095069 Zn\n0.363043 0.106931 0.595069 Zn\n0.863043 0.893070 0.904931 Zn\n0.888778 0.450176 0.855554 Se\n0.388778 0.549825 0.644446 Se\n0.111222 0.049824 0.355554 Se\n0.611222 0.950176 0.144446 Se\n0.611222 0.450176 0.355554 Se\n0.388778 0.049824 0.855554 Se\n0.888778 0.950176 0.644446 Se\n0.111222 0.549825 0.144446 Se\n0.345673 0.539064 0.067602 O\n0.703419 0.038157 0.267348 O\n0.203419 0.961844 0.232652 O\n0.203419 0.461844 0.267348 O\n0.703419 0.538157 0.232652 O\n0.296581 0.961844 0.732652 O\n0.796581 0.038157 0.767348 O\n0.654327 0.960937 0.567602 O\n0.154327 0.039064 0.932398 O\n0.845673 0.460937 0.432398 O\n0.345673 0.039064 0.432398 O\n0.982922 0.849562 0.408533 O\n0.154327 0.539064 0.567602 O\n0.654327 0.460937 0.932398 O\n0.017078 0.150438 0.591467 O\n0.517078 0.849562 0.908533 O\n0.482922 0.650439 0.408533 O\n0.982922 0.349562 0.091467 O\n0.296581 0.461844 0.767348 O\n0.482922 0.150438 0.091467 O\n0.517078 0.349562 0.591467 O\n0.017078 0.650439 0.908533 O\n0.845673 0.960937 0.067602 O\n0.796581 0.538157 0.732652 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Zn",
"Se",
"O"
],
"chemical_system": "O-Se-Zn",
"density": 4.685143240183414,
"density_atomic": 0.0733352465568386,
"volume": 545.4403152377478,
"volume_molar": 8.211795886351224,
"formula_full": "Zn8 Se8 O24",
"formula_reduced": "ZnSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2662528533333333,
"spacegroup": 61
},
{
"id": "jvasp-21724",
"created_at": "2022-09-04T14:38:34.367365Z",
"updated_at": "2022-09-04T14:38:34.367380Z",
"structure_string": "Th2 Mn2 Se6\n1.0\n4.047230 0.000000 0.000000\n-2.023615 6.340571 -0.000000\n0.000000 -0.000000 9.354454\nTh Mn Se\n2 2 6\ndirect\n0.249616 0.499234 0.250000 Th\n0.750382 0.500766 0.750000 Th\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.080508 0.161018 0.750000 Se\n0.919490 0.838982 0.250000 Se\n0.357368 0.714739 0.942294 Se\n0.642630 0.285261 0.057706 Se\n0.642630 0.285261 0.442294 Se\n0.357368 0.714739 0.557706 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-Th",
"density": 7.247469615988211,
"density_atomic": 0.041657701208223034,
"volume": 240.05165215468122,
"volume_molar": 14.456248389460475,
"formula_full": "Th2 Mn2 Se6",
"formula_reduced": "ThMnSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2630705882758617,
"spacegroup": 63
},
{
"id": "jvasp-116778",
"created_at": "2022-09-04T14:38:44.420405Z",
"updated_at": "2022-09-04T14:38:44.420424Z",
"structure_string": "Ho4 Fe4 O12\n1.0\n5.094693 -0.000000 0.000000\n0.000000 5.534375 0.000000\n-0.000000 -0.000000 7.338639\nHo Fe O\n4 4 12\ndirect\n0.023465 0.922804 0.750000 Ho\n0.523465 0.577194 0.250000 Ho\n0.476535 0.422805 0.750000 Ho\n0.976534 0.077195 0.250000 Ho\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.603279 0.030058 0.750000 O\n0.103280 0.469942 0.250000 O\n0.687815 0.303318 0.050878 O\n0.187815 0.196681 0.949122 O\n0.812184 0.803318 0.449122 O\n0.187815 0.196681 0.550878 O\n0.312184 0.696681 0.949122 O\n0.812184 0.803318 0.050878 O\n0.396720 0.969941 0.250000 O\n0.687815 0.303318 0.449122 O\n0.312184 0.696681 0.550878 O\n0.896720 0.530057 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"O"
],
"chemical_system": "Fe-Ho-O",
"density": 8.62766833109375,
"density_atomic": 0.09665578874436012,
"volume": 206.91983646108318,
"volume_molar": 6.2305019060241165,
"formula_full": "Ho4 Fe4 O12",
"formula_reduced": "HoFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.037550313333333,
"spacegroup": 62
},
{
"id": "jvasp-57720",
"created_at": "2022-09-04T14:38:34.388760Z",
"updated_at": "2022-09-04T14:38:34.388798Z",
"structure_string": "Ce2 Al2 O6\n1.0\n4.635666 -0.009761 2.658014\n1.535310 4.374051 2.658014\n-0.013802 -0.009761 5.343618\nCe Al O\n2 2 6\ndirect\n0.750001 0.750000 0.749998 Ce\n0.250000 0.250000 0.249999 Ce\n0.500001 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.292022 0.750000 0.207978 O\n0.750001 0.207979 0.292020 O\n0.207979 0.292022 0.750000 O\n0.707979 0.250000 0.792020 O\n0.792022 0.707979 0.249998 O\n0.250001 0.792021 0.707978 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.5734506220030005,
"density_atomic": 0.09202005859332209,
"volume": 108.6719586236571,
"volume_molar": 6.54437831496559,
"formula_full": "Ce2 Al2 O6",
"formula_reduced": "CeAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.66452776,
"spacegroup": 167
},
{
"id": "jvasp-47741",
"created_at": "2022-09-04T14:38:34.377867Z",
"updated_at": "2022-09-04T14:38:34.377894Z",
"structure_string": "Nb4 O4 F12\n1.0\n0.000016 5.467172 -0.000068\n9.476446 0.000027 -0.000005\n0.000003 -0.000045 -5.467159\nNb O F\n4 4 12\ndirect\n0.552755 0.500826 0.078605 Nb\n0.078633 0.250828 0.447277 Nb\n0.921369 0.750827 0.552724 Nb\n0.447240 0.000823 0.921397 Nb\n0.287701 0.595488 0.032454 O\n0.967475 0.845471 0.287641 O\n0.032524 0.345472 0.712358 O\n0.712295 0.095483 0.967549 O\n0.103762 0.873298 0.783277 F\n0.602140 0.855959 0.679875 F\n0.177038 0.615728 0.531679 F\n0.320170 0.105959 0.602130 F\n0.679832 0.605961 0.397868 F\n0.468254 0.865736 0.177081 F\n0.397859 0.355960 0.320123 F\n0.896238 0.373299 0.216721 F\n0.531746 0.365737 0.822921 F\n0.216650 0.123289 0.103752 F\n0.822966 0.115731 0.468321 F\n0.783344 0.623288 0.896245 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.89034513114266,
"density_atomic": 0.07060900013105782,
"volume": 283.2500100961332,
"volume_molar": 8.528857155351677,
"formula_full": "Nb4 O4 F12",
"formula_reduced": "NbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0033647494999998,
"spacegroup": 78
},
{
"id": "jvasp-100034",
"created_at": "2022-09-04T14:38:40.127039Z",
"updated_at": "2022-09-04T14:38:40.127067Z",
"structure_string": "Ba1 Mg1 In3\n1.0\n4.580466 0.014654 -5.567113\n-0.577509 4.543937 -5.567113\n-0.012868 -0.014654 7.209247\nBa Mg In\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500001 Mg\n0.386012 0.386012 0.000000 In\n0.613989 0.613988 0.000001 In\n0.250000 0.750001 0.500001 In\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 5.626347279722013,
"density_atomic": 0.03347519521863692,
"volume": 149.36432684987923,
"volume_molar": 17.9898600162524,
"formula_full": "Ba1 Mg1 In3",
"formula_reduced": "BaMgIn3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-36974",
"created_at": "2022-09-04T14:38:34.224906Z",
"updated_at": "2022-09-04T14:38:34.224931Z",
"structure_string": "K2 Ge2 Cl6\n1.0\n6.360837 -0.147056 3.427449\n1.980182 6.046549 3.427449\n-0.207914 -0.147056 7.222494\nK Ge Cl\n2 2 6\ndirect\n0.264327 0.264326 0.264326 K\n0.764327 0.764325 0.764326 K\n0.999802 0.999800 0.999801 Ge\n0.499802 0.499800 0.499801 Ge\n0.217602 0.862875 0.683896 Cl\n0.862876 0.683896 0.217602 Cl\n0.683897 0.217600 0.862875 Cl\n0.183897 0.362874 0.717601 Cl\n0.717602 0.183895 0.362875 Cl\n0.362875 0.717601 0.183896 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-K",
"density": 2.5280733676238025,
"density_atomic": 0.0349028018152884,
"volume": 286.50994991524493,
"volume_molar": 17.25403247530155,
"formula_full": "K2 Ge2 Cl6",
"formula_reduced": "KGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 161
}
]
}