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=density&page=295",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=293",
"results": [
{
"id": "jvasp-15024",
"created_at": "2022-09-04T14:36:38.636112Z",
"updated_at": "2022-09-04T14:36:38.636121Z",
"structure_string": "Ca1 Si2\n1.0\n3.612913 -0.016137 4.429190\n1.566098 3.255877 4.429190\n-0.025796 -0.016137 5.715786\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.801866 0.801866 0.801868 Si\n0.198133 0.198133 0.198134 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.3538142755685962,
"density_atomic": 0.044182280008945835,
"volume": 67.90052481204168,
"volume_molar": 13.630217269866252,
"formula_full": "Ca1 Si2",
"formula_reduced": "CaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5820125399999998,
"spacegroup": 166
},
{
"id": "jvasp-90450",
"created_at": "2022-09-04T14:36:10.481800Z",
"updated_at": "2022-09-04T14:36:10.481835Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n6.356926 -1.703988 0.000000\n-4.654139 8.061316 0.000000\n0.000000 0.000000 4.524453\nK Mg Nb\n1 6 1\ndirect\n0.249870 0.374935 0.250000 K\n0.750020 0.375084 0.250000 Mg\n0.750019 0.874936 0.250000 Mg\n0.250038 0.094304 0.749999 Mg\n0.250053 0.655742 0.749999 Mg\n0.688561 0.094279 0.749999 Mg\n0.811431 0.655717 0.749999 Mg\n0.250012 0.875006 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Nb"
],
"chemical_system": "K-Mg-Nb",
"density": 2.3541560101226593,
"density_atomic": 0.04082156732588726,
"volume": 195.97483693201434,
"volume_molar": 14.752350667782963,
"formula_full": "K1 Mg6 Nb1",
"formula_reduced": "KMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 5.000000000816851e-06,
"spacegroup": 123
},
{
"id": "jvasp-98637",
"created_at": "2022-09-04T14:36:20.046298Z",
"updated_at": "2022-09-04T14:36:20.046318Z",
"structure_string": "K8 P8 H8 O28\n1.0\n11.259768 0.062741 1.105393\n1.098459 7.699045 0.331774\n0.015304 0.145022 8.283445\nK P H O\n8 8 8 28\ndirect\n0.930068 0.383603 0.710326 K\n0.069932 0.616396 0.289673 K\n0.049828 0.817139 0.756489 K\n0.950172 0.182860 0.243510 K\n0.560841 0.210516 0.570728 K\n0.439159 0.789483 0.429270 K\n0.566407 0.651252 0.815006 K\n0.433594 0.348747 0.184993 K\n0.700844 0.978752 0.207016 P\n0.299156 0.021247 0.792982 P\n0.715918 0.490058 0.377469 P\n0.284082 0.509941 0.622530 P\n0.780929 0.804964 0.517263 P\n0.187455 0.352379 0.940318 P\n0.219071 0.195035 0.482735 P\n0.812545 0.647620 0.059680 P\n0.460697 0.835814 0.103136 H\n0.349185 0.775437 0.038147 H\n0.650816 0.224562 0.961852 H\n0.539303 0.164185 0.896863 H\n0.838410 0.077589 0.908898 H\n0.194631 0.972227 0.259480 H\n0.805370 0.027772 0.740519 H\n0.161590 0.922410 0.091100 H\n0.070361 0.284579 0.967358 O\n0.132123 0.925016 0.207330 O\n0.867877 0.074983 0.792669 O\n0.756972 0.113032 0.100092 O\n0.243028 0.886967 0.899907 O\n0.575037 0.024979 0.282883 O\n0.424963 0.975020 0.717116 O\n0.596704 0.479005 0.319323 O\n0.403296 0.520994 0.680676 O\n0.775403 0.344423 0.480450 O\n0.224597 0.655577 0.519548 O\n0.929640 0.715420 0.032640 O\n0.769422 0.545343 0.937128 O\n0.691202 0.669916 0.479411 O\n0.903317 0.712636 0.544907 O\n0.096683 0.287363 0.455092 O\n0.709550 0.918747 0.642393 O\n0.290450 0.081252 0.357605 O\n0.795191 0.914830 0.342733 O\n0.204809 0.085169 0.657266 O\n0.701425 0.803986 0.108320 O\n0.298575 0.196013 0.891679 O\n0.817609 0.533493 0.234480 O\n0.182391 0.466506 0.765519 O\n0.579127 0.266409 0.902565 O\n0.308798 0.330083 0.520588 O\n0.230578 0.454656 0.062870 O\n0.420873 0.733590 0.097433 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.3543840368040594,
"density_atomic": 0.0725222930613069,
"volume": 717.0209021940559,
"volume_molar": 8.303847693989995,
"formula_full": "K8 P8 H8 O28",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.310743192307692,
"spacegroup": 2
},
{
"id": "jvasp-36370",
"created_at": "2022-09-04T14:37:11.919743Z",
"updated_at": "2022-09-04T14:37:11.919775Z",
"structure_string": "Rb1 Sb1\n1.0\n4.180745 4.180745 -0.000000\n4.180745 0.000000 -4.180745\n0.000000 4.180745 -4.180745\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.749999 0.749999 0.749999 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 2.354540044767226,
"density_atomic": 0.013684816013628504,
"volume": 146.147379548854,
"volume_molar": 44.00600456741721,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.7434137000000001,
"spacegroup": 216
},
{
"id": "jvasp-101931",
"created_at": "2022-09-04T14:37:00.967049Z",
"updated_at": "2022-09-04T14:37:00.967081Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3545740822743895,
"density_atomic": 0.11222407177081697,
"volume": 178.21488460019367,
"volume_molar": 5.366175602947614,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.720267305,
"spacegroup": 1
},
{
"id": "jvasp-118677",
"created_at": "2022-09-04T14:38:46.869731Z",
"updated_at": "2022-09-04T14:38:46.869768Z",
"structure_string": "Mg1 C3\n1.0\n4.423120 0.802477 -0.136223\n1.930696 -3.558000 -0.682834\n-0.664200 -2.536035 -2.826322\nMg C\n1 3\ndirect\n0.443691 0.028121 0.728269 Mg\n0.040498 -0.080720 0.995197 C\n0.943617 0.028147 0.228032 C\n0.846871 0.136906 0.460976 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 2.354610625223355,
"density_atomic": 0.09400383263356632,
"volume": 42.55145655169494,
"volume_molar": 6.406271522433279,
"formula_full": "Mg1 C3",
"formula_reduced": "MgC3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.436109762499999,
"spacegroup": 2
},
{
"id": "jvasp-79487",
"created_at": "2022-09-04T14:37:16.200615Z",
"updated_at": "2022-09-04T14:37:16.200646Z",
"structure_string": "H3 S1\n1.0\n-1.835747 -1.835747 1.835747\n-1.835747 1.835747 -1.835747\n1.835747 -1.835747 -1.835747\nH S\n3 1\ndirect\n0.000000 0.500001 0.500001 H\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 2.354612191173461,
"density_atomic": 0.1616447182362798,
"volume": 24.745627593925512,
"volume_molar": 3.7255413141289893,
"formula_full": "H3 S1",
"formula_reduced": "H3S",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58365,
"spacegroup": 229
},
{
"id": "jvasp-20218",
"created_at": "2022-09-04T14:37:39.665152Z",
"updated_at": "2022-09-04T14:37:39.665172Z",
"structure_string": "K1 O2\n1.0\n3.442768 0.000000 -1.775690\n-0.915855 3.318714 -1.775690\n0.048709 0.063972 4.319761\nK O\n1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.601450 0.601450 0.202901 O\n0.398549 0.398548 0.797098 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.3546980319177364,
"density_atomic": 0.0598350270281235,
"volume": 50.137856519893404,
"volume_molar": 10.064574312249395,
"formula_full": "K1 O2",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394700833333332,
"spacegroup": 139
},
{
"id": "jvasp-20479",
"created_at": "2022-09-04T14:38:15.183557Z",
"updated_at": "2022-09-04T14:38:15.183580Z",
"structure_string": "K1 O2\n1.0\n3.442768 0.000000 -1.775690\n-0.915855 3.318714 -1.775690\n0.048709 0.063972 4.319761\nK O\n1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.601450 0.601450 0.202901 O\n0.398549 0.398548 0.797098 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.3546980319177364,
"density_atomic": 0.0598350270281235,
"volume": 50.137856519893404,
"volume_molar": 10.064574312249395,
"formula_full": "K1 O2",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394700833333332,
"spacegroup": 139
},
{
"id": "jvasp-30191",
"created_at": "2022-09-04T14:38:09.114291Z",
"updated_at": "2022-09-04T14:38:09.114310Z",
"structure_string": "Mg4 Cl8 O4\n1.0\n7.501112 0.000000 -0.773037\n0.000000 5.527039 0.000000\n-1.270631 0.000000 7.697483\nMg Cl O\n4 8 4\ndirect\n0.163552 0.741652 0.830138 Mg\n0.163552 0.758349 0.330138 Mg\n0.836448 0.241652 0.669861 Mg\n0.836448 0.258349 0.169862 Mg\n0.192153 0.284377 0.959047 Cl\n0.192153 0.215623 0.459048 Cl\n0.357898 0.768377 0.630914 Cl\n0.357898 0.731623 0.130914 Cl\n0.642102 0.268377 0.869085 Cl\n0.642102 0.231623 0.369085 Cl\n0.807847 0.784377 0.540952 Cl\n0.807847 0.715623 0.040953 Cl\n0.940894 0.576551 0.679466 O\n0.940894 0.923449 0.179466 O\n0.059105 0.076551 0.820533 O\n0.059105 0.423449 0.320533 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O",
"density": 2.3547195215833083,
"density_atomic": 0.05100405147070778,
"volume": 313.7005696339434,
"volume_molar": 11.807181167673681,
"formula_full": "Mg4 Cl8 O4",
"formula_reduced": "MgCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0894076712499999,
"spacegroup": 14
},
{
"id": "jvasp-114063",
"created_at": "2022-09-04T14:38:49.802462Z",
"updated_at": "2022-09-04T14:38:49.802495Z",
"structure_string": "Al1 Cl2\n1.0\n4.846571 0.000000 0.000000\n-2.423285 4.197253 -0.000000\n0.000000 0.000000 3.392874\nAl Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666666 0.000000 Cl\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.355098340716881,
"density_atomic": 0.0434664123314898,
"volume": 69.0188087556196,
"volume_molar": 13.854699380462058,
"formula_full": "Al1 Cl2",
"formula_reduced": "AlCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4708303116666666,
"spacegroup": 191
},
{
"id": "jvasp-116117",
"created_at": "2022-09-04T14:38:41.227866Z",
"updated_at": "2022-09-04T14:38:41.227881Z",
"structure_string": "Rb1 Ge1 S1\n1.0\n3.979105 -0.000000 0.000000\n0.000000 3.979105 -0.000000\n-0.000000 0.000000 8.467961\nRb Ge S\n1 1 1\ndirect\n0.000000 0.000000 0.648175 Rb\n0.000000 0.000000 0.248952 Ge\n0.000000 0.000000 0.003460 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"S"
],
"chemical_system": "Ge-Rb-S",
"density": 2.3553087764312033,
"density_atomic": 0.02237544116167049,
"volume": 134.07556875969226,
"volume_molar": 26.91406491826418,
"formula_full": "Rb1 Ge1 S1",
"formula_reduced": "RbGeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.53508865,
"spacegroup": 99
}
]
}