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=4471",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4469",
"results": [
{
"id": "jvasp-93181",
"created_at": "2022-09-04T14:35:46.113812Z",
"updated_at": "2022-09-04T14:35:46.113836Z",
"structure_string": "K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cd"
],
"chemical_system": "Cd-K-Mg",
"density": 2.286488969565795,
"density_atomic": 0.037047395822001436,
"volume": 215.9396044579473,
"volume_molar": 16.25523367130603,
"formula_full": "K1 Mg6 Cd1",
"formula_reduced": "KMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94732",
"created_at": "2022-09-04T14:35:43.584720Z",
"updated_at": "2022-09-04T14:35:43.584740Z",
"structure_string": "Ca1 Mg6 V1\n1.0\n6.705870 -1.796059 0.000000\n-4.908367 8.501539 0.000000\n0.000000 0.000000 3.862926\nCa Mg V\n1 6 1\ndirect\n0.249970 0.374984 0.250000 Ca\n0.750081 0.375049 0.250000 Mg\n0.750080 0.875032 0.250000 Mg\n0.250056 0.099333 0.750001 Mg\n0.250056 0.650724 0.750001 Mg\n0.698535 0.099267 0.750001 Mg\n0.801336 0.650669 0.750001 Mg\n0.249884 0.874941 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"V"
],
"chemical_system": "Ca-Mg-V",
"density": 2.1125534922538014,
"density_atomic": 0.042971066429199796,
"volume": 186.17178173087697,
"volume_molar": 14.01440843904172,
"formula_full": "Ca1 Mg6 V1",
"formula_reduced": "CaMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-94143",
"created_at": "2022-09-04T14:35:43.319900Z",
"updated_at": "2022-09-04T14:35:43.319924Z",
"structure_string": "Mg6 Cu1 Bi1\n1.0\n6.622463 -0.233640 0.000000\n-3.513571 5.618402 0.000000\n0.000000 0.000000 4.951359\nMg Cu Bi\n6 1 1\ndirect\n0.168855 0.815810 0.250000 Mg\n0.684189 0.331145 0.250000 Mg\n0.672596 0.827404 0.250000 Mg\n0.334250 0.641557 0.750000 Mg\n0.858442 0.165750 0.750000 Mg\n0.830749 0.669250 0.750000 Mg\n0.110428 0.389572 0.250000 Cu\n0.340488 0.159511 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Mg",
"density": 3.855918517388937,
"density_atomic": 0.044404023132107125,
"volume": 180.16385533804157,
"volume_molar": 13.562151208874546,
"formula_full": "Mg6 Cu1 Bi1",
"formula_reduced": "Mg6CuBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92916",
"created_at": "2022-09-04T14:35:43.442343Z",
"updated_at": "2022-09-04T14:35:43.442368Z",
"structure_string": "Hf1 Mg6 W1\n1.0\n6.314908 -0.141515 0.000000\n-3.280009 5.398113 0.000000\n0.000000 0.000000 4.894553\nHf Mg W\n1 6 1\ndirect\n0.302600 0.197400 0.750000 Hf\n0.179645 0.827854 0.250000 Mg\n0.672146 0.320356 0.250000 Mg\n0.673794 0.826207 0.250000 Mg\n0.315675 0.670453 0.750000 Mg\n0.829547 0.184325 0.750000 Mg\n0.830455 0.669546 0.750000 Mg\n0.196139 0.303861 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"W"
],
"chemical_system": "Hf-Mg-W",
"density": 5.127217983044904,
"density_atomic": 0.04860961651727028,
"volume": 164.57648862870002,
"volume_molar": 12.388784753857138,
"formula_full": "Hf1 Mg6 W1",
"formula_reduced": "HfMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.2325109125,
"spacegroup": 38
},
{
"id": "jvasp-92982",
"created_at": "2022-09-04T14:35:47.932450Z",
"updated_at": "2022-09-04T14:35:47.932469Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.656820 0.077098 3.213382\n1.727523 4.325226 3.213381\n0.111809 0.077098 5.656791\nCa Cr F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Cr\n0.365936 0.072356 0.784835 F\n0.072355 0.784837 0.365935 F\n0.215164 0.634065 0.927643 F\n0.927644 0.215165 0.634063 F\n0.634063 0.927646 0.215164 F\n0.784835 0.365937 0.072355 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 3.0845615644582773,
"density_atomic": 0.07211591399660194,
"volume": 110.93251900512493,
"volume_molar": 8.35064055387797,
"formula_full": "Ca1 Cr1 F6",
"formula_reduced": "CaCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1085036893749999,
"spacegroup": 148
},
{
"id": "jvasp-94219",
"created_at": "2022-09-04T14:35:43.288464Z",
"updated_at": "2022-09-04T14:35:43.288491Z",
"structure_string": "K1 Mg6 Cu1\n1.0\n7.730006 -0.850949 0.000000\n-4.601946 6.268906 0.000000\n0.000000 0.000000 4.677923\nK Mg Cu\n1 6 1\ndirect\n0.286878 0.213122 0.750000 K\n0.203342 0.806602 0.250000 Mg\n0.693399 0.296658 0.250000 Mg\n0.692311 0.807689 0.250000 Mg\n0.326834 0.669457 0.750000 Mg\n0.830544 0.173166 0.750000 Mg\n0.864855 0.635146 0.750000 Mg\n0.101839 0.398161 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cu"
],
"chemical_system": "Cu-K-Mg",
"density": 1.9801649048572487,
"density_atomic": 0.03839377123246413,
"volume": 208.3671320423856,
"volume_molar": 15.685202486459406,
"formula_full": "K1 Mg6 Cu1",
"formula_reduced": "KMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93082",
"created_at": "2022-09-04T14:35:43.261737Z",
"updated_at": "2022-09-04T14:35:43.261766Z",
"structure_string": "Mg6 Cr1 Si1\n1.0\n6.134066 0.038479 0.000000\n-3.033709 5.254538 0.000000\n0.000000 0.000000 4.918482\nMg Cr Si\n6 1 1\ndirect\n0.665778 0.333839 0.250000 Mg\n0.665778 0.831938 0.250000 Mg\n0.330140 0.162176 0.750000 Mg\n0.330140 0.667966 0.750000 Mg\n0.840726 0.170363 0.750000 Mg\n0.842842 0.671422 0.750000 Mg\n0.163685 0.831842 0.250000 Cr\n0.160915 0.330457 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Si"
],
"chemical_system": "Cr-Mg-Si",
"density": 2.3577812510734213,
"density_atomic": 0.05028122710001568,
"volume": 159.10510664520964,
"volume_molar": 11.976916848153298,
"formula_full": "Mg6 Cr1 Si1",
"formula_reduced": "Mg6CrSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4305312874999999,
"spacegroup": 38
},
{
"id": "jvasp-91974",
"created_at": "2022-09-04T14:35:43.250763Z",
"updated_at": "2022-09-04T14:35:43.250789Z",
"structure_string": "Nb1 Fe1 F6\n1.0\n4.694810 0.064441 3.157916\n1.715209 4.370749 3.157916\n0.093133 0.064441 5.657295\nNb Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Nb\n0.000000 0.000000 0.000000 Fe\n0.373234 0.130419 0.748681 F\n0.748680 0.373234 0.130420 F\n0.130419 0.748680 0.373235 F\n0.626766 0.869581 0.251321 F\n0.251320 0.626766 0.869582 F\n0.869580 0.251320 0.626767 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"F"
],
"chemical_system": "F-Fe-Nb",
"density": 3.840992762660814,
"density_atomic": 0.0704295978890542,
"volume": 113.58860819569321,
"volume_molar": 8.550582341086928,
"formula_full": "Nb1 Fe1 F6",
"formula_reduced": "NbFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8384758243749999,
"spacegroup": 148
},
{
"id": "jvasp-92850",
"created_at": "2022-09-04T14:35:43.240731Z",
"updated_at": "2022-09-04T14:35:43.240754Z",
"structure_string": "Ba1 Mg6 Ga1\n1.0\n6.718723 0.770933 0.000000\n-2.691714 6.204048 0.000000\n0.000000 0.000000 4.898525\nBa Mg Ga\n1 6 1\ndirect\n0.121166 0.378834 0.250000 Ba\n0.210097 0.904676 0.250000 Mg\n0.595324 0.289903 0.250000 Mg\n0.692929 0.807071 0.250000 Mg\n0.399169 0.719587 0.750001 Mg\n0.780413 0.100830 0.750001 Mg\n0.869193 0.630807 0.750001 Mg\n0.331709 0.168290 0.750001 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 2.7336900304180047,
"density_atomic": 0.03732184575623453,
"volume": 214.3516709289121,
"volume_molar": 16.13569918093886,
"formula_full": "Ba1 Mg6 Ga1",
"formula_reduced": "BaMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0031562499999999,
"spacegroup": 38
},
{
"id": "jvasp-92891",
"created_at": "2022-09-04T14:35:43.178587Z",
"updated_at": "2022-09-04T14:35:43.178613Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.193614 0.009195 0.000000\n-3.088844 5.368424 0.000000\n0.000000 0.000000 4.890712\nMg Cr Ga\n6 1 1\ndirect\n0.169544 0.839121 0.250000 Mg\n0.660878 0.330455 0.250000 Mg\n0.665986 0.834012 0.250000 Mg\n0.330556 0.655865 0.750000 Mg\n0.844134 0.169443 0.750000 Mg\n0.832553 0.667445 0.750000 Mg\n0.171785 0.328215 0.250000 Cr\n0.324561 0.175438 0.750000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.729724037872506,
"density_atomic": 0.049153691483782805,
"volume": 162.75481573219025,
"volume_molar": 12.251655121338901,
"formula_full": "Mg6 Cr1 Ga1",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93212",
"created_at": "2022-09-04T14:35:47.134763Z",
"updated_at": "2022-09-04T14:35:47.134795Z",
"structure_string": "Ce1 Mg6 Co1\n1.0\n6.936246 0.762040 0.000000\n-2.808177 4.863906 0.000000\n0.000000 0.000000 4.897068\nCe Mg Co\n1 6 1\ndirect\n0.117891 0.808946 0.250000 Ce\n0.617013 0.310310 0.250000 Mg\n0.617013 0.806704 0.250000 Mg\n0.346448 0.178102 0.750000 Mg\n0.346448 0.668347 0.750000 Mg\n0.937889 0.218944 0.750000 Mg\n0.795080 0.647540 0.750000 Mg\n0.222218 0.361109 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Co"
],
"chemical_system": "Ce-Co-Mg",
"density": 3.2595790465887426,
"density_atomic": 0.04553395885463625,
"volume": 175.69304758980874,
"volume_molar": 13.22560328924009,
"formula_full": "Ce1 Mg6 Co1",
"formula_reduced": "CeMg6Co",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0670288374999999,
"spacegroup": 38
},
{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 2.7711200504568447,
"density_atomic": 0.04475786914282976,
"volume": 178.7395189541012,
"volume_molar": 13.454931781453567,
"formula_full": "Y1 Mg6 Cu1",
"formula_reduced": "YMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
}
]
}