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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4150",
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"results": [
{
"id": "jvasp-55434",
"created_at": "2022-09-04T14:38:33.650068Z",
"updated_at": "2022-09-04T14:38:33.650100Z",
"structure_string": "Na12 Mn2 O8\n1.0\n3.835110 -6.642604 -0.000000\n3.835110 6.642604 0.000000\n0.000000 0.000000 5.897075\nNa Mn O\n12 2 8\ndirect\n0.923238 0.461619 0.857848 Na\n0.076762 0.538381 0.357849 Na\n0.139665 0.279331 0.025891 Na\n0.860335 0.139665 0.525891 Na\n0.279331 0.139665 0.525891 Na\n0.461619 0.923238 0.357849 Na\n0.720669 0.860335 0.025891 Na\n0.139665 0.860335 0.025891 Na\n0.538381 0.461619 0.857848 Na\n0.538381 0.076762 0.857848 Na\n0.461619 0.538381 0.357849 Na\n0.860335 0.720669 0.525891 Na\n0.666667 0.333333 0.253625 Mn\n0.333333 0.666667 0.753625 Mn\n0.666667 0.333333 0.592930 O\n0.188285 0.811715 0.635981 O\n0.811715 0.623431 0.135982 O\n0.376569 0.188285 0.135982 O\n0.623431 0.811715 0.635981 O\n0.188285 0.376569 0.635981 O\n0.811715 0.188285 0.135982 O\n0.333333 0.666667 0.092930 O\n",
"nsites": 22,
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"spacegroup": 186
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{
"id": "jvasp-101291",
"created_at": "2022-09-04T14:37:46.853521Z",
"updated_at": "2022-09-04T14:37:46.853543Z",
"structure_string": "K4 Mn6 S8\n1.0\n5.934593 0.000000 0.000000\n0.000000 6.903280 -2.072238\n0.000000 0.002163 10.599486\nK Mn S\n4 6 8\ndirect\n0.508109 0.750000 0.250000 K\n0.491890 0.250000 0.750000 K\n0.000000 0.500000 -0.000000 K\n0.000000 -0.000000 0.500000 K\n0.249866 0.967791 0.968958 Mn\n0.249866 0.532208 0.531042 Mn\n0.750135 0.032208 0.031042 Mn\n0.750135 0.467792 0.468958 Mn\n0.249283 0.250000 0.250000 Mn\n0.750716 0.750000 0.750000 Mn\n0.533110 0.723252 0.937163 S\n0.533110 0.776748 0.562838 S\n0.031132 0.955764 0.169662 S\n0.031132 0.544236 0.330338 S\n0.466890 0.223252 0.437163 S\n0.968868 0.455764 0.669662 S\n0.968868 0.044236 0.830338 S\n0.466890 0.276748 0.062838 S\n",
"nsites": 18,
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"elements": [
"K",
"Mn",
"S"
],
"chemical_system": "K-Mn-S",
"density": 2.839304519198417,
"density_atomic": 0.04144905828067311,
"volume": 434.2680086508275,
"volume_molar": 14.529017087001003,
"formula_full": "K4 Mn6 S8",
"formula_reduced": "K2Mn3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.334315302681992,
"spacegroup": 13
},
{
"id": "jvasp-36670",
"created_at": "2022-09-04T14:37:18.972310Z",
"updated_at": "2022-09-04T14:37:18.972335Z",
"structure_string": "Be3 N2\n1.0\n1.410542 -2.443131 0.000000\n1.410542 2.443131 0.000000\n0.000000 -0.000000 4.671419\nBe N\n3 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333332 0.649156 Be\n0.333332 0.666666 0.350845 Be\n0.333332 0.666666 0.746909 N\n0.666666 0.333332 0.253092 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Be",
"N"
],
"chemical_system": "Be-N",
"density": 2.839189628020242,
"density_atomic": 0.15529533480540236,
"volume": 32.196717346759996,
"volume_molar": 3.8778632774424486,
"formula_full": "Be3 N2",
"formula_reduced": "Be3N2",
"formula_anonymous": "A2B3",
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"spacegroup": 164
},
{
"id": "jvasp-92865",
"created_at": "2022-09-04T14:36:11.759098Z",
"updated_at": "2022-09-04T14:36:11.759130Z",
"structure_string": "Ba1 Mg6 Mo1\n1.0\n8.098698 -1.126020 0.000000\n-5.024511 6.450667 0.000000\n0.000000 0.000000 4.759770\nBa Mg Mo\n1 6 1\ndirect\n0.222993 0.277008 0.250000 Ba\n0.180753 0.828365 0.250000 Mg\n0.671636 0.319247 0.250000 Mg\n0.607696 0.892305 0.250000 Mg\n0.287062 0.696349 0.750000 Mg\n0.803652 0.212939 0.750000 Mg\n0.834431 0.665571 0.750000 Mg\n0.391782 0.108218 0.750000 Mo\n",
"nsites": 8,
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"elements": [
"Ba",
"Mg",
"Mo"
],
"chemical_system": "Ba-Mg-Mo",
"density": 2.83905539168204,
"density_atomic": 0.036079823791915204,
"volume": 221.73057291351424,
"volume_molar": 16.691159011007827,
"formula_full": "Ba1 Mg6 Mo1",
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"spacegroup": 38
},
{
"id": "jvasp-24251",
"created_at": "2022-09-04T14:37:40.359466Z",
"updated_at": "2022-09-04T14:37:40.359487Z",
"structure_string": "Na9 Zr1 P4 Cl1 O16\n1.0\n5.387292 -0.018987 0.008012\n-0.082145 9.072621 -0.002306\n-0.278110 -3.300230 8.538699\nNa Zr P Cl O\n9 1 4 1 16\ndirect\n0.532674 0.640657 0.407207 Na\n0.439636 0.979606 0.374762 Na\n0.462092 0.560831 0.024876 Na\n0.055175 0.834057 0.573738 Na\n0.455981 0.357797 0.594706 Na\n0.933714 0.183483 0.406919 Na\n0.951164 0.560772 0.817931 Na\n0.041135 0.432749 0.147493 Na\n0.529582 0.099934 0.783575 Na\n0.006749 0.000693 0.997411 Zr\n0.040313 0.207023 0.734472 P\n0.476990 0.767923 0.798879 P\n0.528379 0.246097 0.182669 P\n0.972260 0.785496 0.234254 P\n0.012782 0.504579 0.491170 Cl\n0.532104 0.596821 0.774576 O\n0.335992 0.136049 0.057389 O\n0.171302 0.348288 0.863081 O\n0.212285 0.134049 0.594378 O\n0.788674 0.250875 0.680025 O\n0.472863 0.815100 0.654347 O\n0.869146 0.650679 0.088041 O\n0.790815 0.835567 0.369651 O\n0.676722 0.877067 0.918643 O\n0.213361 0.803290 0.874250 O\n0.025889 0.942577 0.196485 O\n0.513443 0.213320 0.334871 O\n0.797543 0.201679 0.117643 O\n0.985953 0.068791 0.799196 O\n0.225226 0.739183 0.286142 O\n0.483036 0.415958 0.196209 O\n",
"nsites": 31,
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"elements": [
"Na",
"Zr",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O-P-Zr",
"density": 2.8389862609875114,
"density_atomic": 0.07428479760338014,
"volume": 417.3128419291732,
"volume_molar": 8.106827984042294,
"formula_full": "Na9 Zr1 P4 Cl1 O16",
"formula_reduced": "Na9ZrP4ClO16",
"formula_anonymous": "ABC4D9E16",
"energy_above_hull": 1.936240244112903,
"spacegroup": 1
},
{
"id": "jvasp-38887",
"created_at": "2022-09-04T14:37:45.174312Z",
"updated_at": "2022-09-04T14:37:45.174332Z",
"structure_string": "Mg1 Sc2 Al1\n1.0\n0.000000 3.456461 3.456461\n3.456461 0.000000 3.456461\n3.456461 3.456461 0.000000\nMg Sc Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Al"
],
"chemical_system": "Al-Mg-Sc",
"density": 2.838924084572548,
"density_atomic": 0.04843229095677397,
"volume": 82.5895269660074,
"volume_molar": 12.434143917277808,
"formula_full": "Mg1 Sc2 Al1",
"formula_reduced": "MgSc2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4336555875,
"spacegroup": 225
},
{
"id": "jvasp-51906",
"created_at": "2022-09-04T14:37:08.237192Z",
"updated_at": "2022-09-04T14:37:08.237218Z",
"structure_string": "Fe2 Cl6\n1.0\n3.373471 -0.155757 0.122441\n0.318843 6.989577 0.194971\n1.458789 1.415785 8.122721\nFe Cl\n2 6\ndirect\n0.111916 0.685806 0.145735 Fe\n0.382527 0.317259 0.604764 Fe\n0.249106 0.250232 0.872344 Cl\n0.911807 0.567461 0.545792 Cl\n0.245343 0.752814 0.878149 Cl\n-0.082753 0.108175 0.535472 Cl\n0.582637 0.435622 0.204676 Cl\n0.577161 0.894922 0.214962 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 2.838786068057461,
"density_atomic": 0.04215819411426804,
"volume": 189.76144894433406,
"volume_molar": 14.284626954554165,
"formula_full": "Fe2 Cl6",
"formula_reduced": "FeCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.757681925625,
"spacegroup": 12
},
{
"id": "jvasp-25783",
"created_at": "2022-09-04T14:37:37.993946Z",
"updated_at": "2022-09-04T14:37:37.993974Z",
"structure_string": "Na4 Ca6 Si6 O20\n1.0\n5.172452 0.000000 -0.000000\n-2.586226 8.161291 -0.410955\n-0.000000 0.004919 11.375659\nNa Ca Si O\n4 6 6 20\ndirect\n0.723688 0.913585 0.034344 Na\n0.189896 0.913585 0.534344 Na\n0.810103 0.086415 0.465656 Na\n0.276311 0.086415 0.965656 Na\n0.085203 0.696480 0.792011 Ca\n0.611277 0.696480 0.292011 Ca\n-0.000000 0.500000 0.500000 Ca\n0.388722 0.303520 0.707989 Ca\n0.914796 0.303520 0.207989 Ca\n0.499999 0.500000 0.000000 Ca\n0.463039 0.302909 0.397195 Si\n0.839869 0.302909 0.897195 Si\n0.536960 0.697091 0.602805 Si\n0.160130 0.697091 0.102805 Si\n0.795182 0.000000 0.750000 Si\n0.204818 0.000000 0.250000 Si\n0.080130 0.087382 0.150379 O\n0.236513 0.544510 0.162303 O\n0.763486 0.455490 0.837697 O\n0.348424 0.864681 0.185351 O\n0.153743 0.310669 0.391313 O\n0.843074 0.689331 0.108688 O\n0.307996 0.544510 0.662303 O\n0.992747 0.912618 0.349622 O\n0.846255 0.689331 0.608688 O\n0.581171 0.282237 0.527351 O\n0.701066 0.282237 0.027351 O\n0.516257 0.864682 0.685351 O\n0.418828 0.717763 0.472649 O\n0.483742 0.135318 0.314650 O\n0.007252 0.087382 0.650379 O\n0.919869 0.912618 0.849622 O\n0.651575 0.135319 0.814650 O\n0.156925 0.310669 0.891313 O\n0.298933 0.717763 0.972649 O\n0.692003 0.455490 0.337697 O\n",
"nsites": 36,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Ca-Na-O-Si",
"density": 2.838656569460492,
"density_atomic": 0.07496544908939053,
"volume": 480.22122774283355,
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"formula_full": "Na4 Ca6 Si6 O20",
"formula_reduced": "Na2Ca3Si3O10",
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"spacegroup": 15
},
{
"id": "jvasp-113493",
"created_at": "2022-09-04T14:38:49.538837Z",
"updated_at": "2022-09-04T14:38:49.538864Z",
"structure_string": "Rb2 Cl2\n1.0\n4.637368 -0.000000 -0.000000\n0.000000 4.637368 -0.000000\n0.000000 0.000000 6.581045\nRb Cl\n2 2\ndirect\n0.000000 0.000000 0.250016 Rb\n0.500000 0.500000 0.749984 Rb\n0.000000 0.000000 0.749988 Cl\n0.500000 0.500000 0.250011 Cl\n",
"nsites": 4,
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"volume_molar": 21.307323184765078,
"formula_full": "Rb2 Cl2",
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"spacegroup": 225
},
{
"id": "jvasp-55735",
"created_at": "2022-09-04T14:38:33.342446Z",
"updated_at": "2022-09-04T14:38:33.342474Z",
"structure_string": "H12 Os1 N5 Cl3 O1\n1.0\n6.173289 0.034936 -2.653293\n-3.504761 5.556220 -1.412713\n0.022037 -0.034936 6.719299\nH Os N Cl O\n12 1 5 3 1\ndirect\n0.465277 0.132592 0.132592 H\n0.160190 0.394045 0.910763 H\n0.839811 0.750574 0.233857 H\n0.516718 0.910763 0.750574 H\n0.160190 0.910763 0.394046 H\n0.839811 0.233856 0.750574 H\n0.483283 0.233856 0.394046 H\n0.516718 0.750573 0.910764 H\n0.534723 0.667315 0.667316 H\n0.000000 0.667315 0.132592 H\n0.000000 0.132591 0.667315 H\n0.483283 0.394046 0.233857 H\n0.000000 0.029671 0.029671 Os\n0.000000 0.238108 0.238108 N\n0.591536 0.812595 0.812596 N\n0.000000 0.812595 0.221059 N\n0.000000 0.221058 0.812595 N\n0.408464 0.221059 0.221059 N\n0.000000 0.751146 0.751147 Cl\n0.500000 0.750702 0.250702 Cl\n0.500000 0.250701 0.750702 Cl\n0.000000 0.378869 0.378869 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "H12 Os1 N5 Cl3 O1",
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},
{
"id": "jvasp-1999",
"created_at": "2022-09-04T14:35:53.117567Z",
"updated_at": "2022-09-04T14:35:53.117587Z",
"structure_string": "Rb1 Cl1\n1.0\n4.020784 0.000000 2.321401\n1.340261 3.790831 2.321401\n0.000000 0.000000 4.642802\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Cl\n",
"nsites": 2,
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],
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"density_atomic": 0.028262115459811287,
"volume": 70.76611100977203,
"volume_molar": 21.308174076931643,
"formula_full": "Rb1 Cl1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0098,
"spacegroup": 225
},
{
"id": "jvasp-115552",
"created_at": "2022-09-04T14:38:46.783649Z",
"updated_at": "2022-09-04T14:38:46.783674Z",
"structure_string": "Ba1 Cd1 O1\n1.0\n4.461126 -0.000000 0.000000\n-0.000000 4.461126 0.000000\n-0.000000 -0.000000 7.815459\nBa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.426140 Ba\n0.000000 0.000000 -0.028174 Cd\n0.000000 0.000000 0.704918 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ba-Cd-O",
"density": 2.83699330307681,
"density_atomic": 0.019287582040251043,
"volume": 155.54049199839218,
"volume_molar": 31.222891223132383,
"formula_full": "Ba1 Cd1 O1",
"formula_reduced": "BaCdO",
"formula_anonymous": "ABC",
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"spacegroup": 99
}
]
}