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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1541",
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"results": [
{
"id": "jvasp-87240",
"created_at": "2022-09-04T14:35:51.489589Z",
"updated_at": "2022-09-04T14:35:51.489617Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n6.854623 0.000000 -0.000000\n-3.427312 5.936278 0.000000\n-0.000000 -0.000000 14.191360\nRb Mg F\n6 6 18\ndirect\n0.333333 0.666667 0.139453 Rb\n0.333333 0.666667 0.360547 Rb\n0.666667 0.333333 0.860547 Rb\n0.666667 0.333333 0.639453 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.842112 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.157888 Mg\n0.333333 0.666667 0.657888 Mg\n0.666667 0.333333 0.342112 Mg\n0.543732 0.087465 0.250000 F\n0.912534 0.456267 0.250000 F\n0.456267 0.543733 0.750000 F\n0.087466 0.543733 0.750000 F\n0.865498 0.134502 0.915096 F\n0.134502 0.269005 0.084904 F\n0.269005 0.134502 0.584904 F\n0.134502 0.269005 0.415096 F\n0.730995 0.865498 0.415096 F\n0.456268 0.912535 0.750000 F\n0.865498 0.134502 0.584904 F\n0.134502 0.865498 0.084904 F\n0.269005 0.134502 0.915096 F\n0.865498 0.730995 0.915096 F\n0.730995 0.865498 0.084904 F\n0.543733 0.456267 0.250000 F\n0.134502 0.865498 0.415096 F\n0.865498 0.730995 0.584904 F\n",
"nsites": 30,
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"elements": [
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"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 2.8773405829189023,
"density_atomic": 0.051951660430401225,
"volume": 577.4598877391128,
"volume_molar": 11.591815757395784,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-35418",
"created_at": "2022-09-04T14:37:38.067000Z",
"updated_at": "2022-09-04T14:37:38.067021Z",
"structure_string": "Rb2 Mg1 Cl4\n1.0\n4.967316 -0.000000 -0.000000\n-0.000000 4.967316 -0.000000\n-2.483657 -2.483657 8.091481\nRb Mg Cl\n2 1 4\ndirect\n0.356434 0.356434 0.712868 Rb\n0.643566 0.643566 0.287132 Rb\n0.000000 0.000000 0.000000 Mg\n0.156010 0.156010 0.312021 Cl\n0.843990 0.843990 0.687978 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 0.000000 0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Rb",
"density": 2.803336183470353,
"density_atomic": 0.03506117315281241,
"volume": 199.6510490248242,
"volume_molar": 17.176096001559312,
"formula_full": "Rb2 Mg1 Cl4",
"formula_reduced": "Rb2MgCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-96598",
"created_at": "2022-09-04T14:36:03.477371Z",
"updated_at": "2022-09-04T14:36:03.477390Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Rb",
"density": 2.8286617813160686,
"density_atomic": 0.039407896976299865,
"volume": 761.2687380410624,
"volume_molar": 15.281558322236148,
"formula_full": "Rb6 Mg6 Cl18",
"formula_reduced": "RbMgCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Rb",
"density": 2.169974969736044,
"density_atomic": 0.030416200499825866,
"volume": 263.0177296485733,
"volume_molar": 19.799122378991672,
"formula_full": "Rb1 Mg6 Cd1",
"formula_reduced": "RbMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-90459",
"created_at": "2022-09-04T14:35:45.187298Z",
"updated_at": "2022-09-04T14:35:45.187323Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 1.7874488358503926,
"density_atomic": 0.03539298789646594,
"volume": 226.03347373220268,
"volume_molar": 17.015067441088586,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0368617874999999,
"spacegroup": 38
},
{
"id": "jvasp-92948",
"created_at": "2022-09-04T14:36:06.131443Z",
"updated_at": "2022-09-04T14:36:06.131467Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n8.224331 -0.009853 0.000000\n-4.120699 7.117552 0.000000\n0.000000 0.000000 3.390140\nRb Mg C\n1 6 1\ndirect\n0.159926 0.340074 0.250000 Rb\n0.204312 0.957326 0.250000 Mg\n0.542674 0.295688 0.250000 Mg\n0.710063 0.789937 0.250000 Mg\n0.367456 0.794879 0.750000 Mg\n0.705121 0.132545 0.750000 Mg\n0.907577 0.592424 0.750000 Mg\n0.402877 0.097123 0.750000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 2.037318113457348,
"density_atomic": 0.040340609411928345,
"volume": 198.3113323427998,
"volume_molar": 14.928234470893514,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0337992874999999,
"spacegroup": 38
},
{
"id": "jvasp-91962",
"created_at": "2022-09-04T14:36:18.015352Z",
"updated_at": "2022-09-04T14:36:18.015388Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n8.656928 0.238333 0.000000\n-4.122061 7.139619 0.000000\n0.000000 0.000000 3.335551\nRb Mg C\n1 6 1\ndirect\n0.078515 0.289258 0.250000 Rb\n0.626035 0.373083 0.250000 Mg\n0.626035 0.752950 0.250000 Mg\n0.322104 0.070687 0.750000 Mg\n0.322104 0.751419 0.750000 Mg\n0.643433 0.071717 0.750000 Mg\n0.929607 0.714803 0.750000 Mg\n0.452167 0.976083 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 1.929084007742809,
"density_atomic": 0.0381974832330372,
"volume": 209.4378823650025,
"volume_molar": 15.765805100979586,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0421717874999999,
"spacegroup": 38
},
{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
"volume": 201.086502548597,
"volume_molar": 15.137140291046874,
"formula_full": "Rb1 Mg6 B1",
"formula_reduced": "RbMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94772",
"created_at": "2022-09-04T14:36:01.772100Z",
"updated_at": "2022-09-04T14:36:01.772109Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.752651 0.739351 0.000000\n-2.736029 6.217642 0.000000\n0.000000 0.000000 4.980182\nRb Mg Al\n1 6 1\ndirect\n0.382842 0.117158 0.750000 Rb\n0.098937 0.784510 0.250000 Mg\n0.715489 0.401063 0.250000 Mg\n0.637949 0.862050 0.250000 Mg\n0.298734 0.594629 0.750000 Mg\n0.905371 0.201266 0.750000 Mg\n0.808928 0.691072 0.750000 Mg\n0.151748 0.348251 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 1.9568496271494948,
"density_atomic": 0.03650132904566829,
"volume": 219.17010172399137,
"volume_molar": 16.498415037067435,
"formula_full": "Rb1 Mg6 Al1",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.2499999999998623e-05,
"spacegroup": 38
},
{
"id": "jvasp-94768",
"created_at": "2022-09-04T14:35:53.633559Z",
"updated_at": "2022-09-04T14:35:53.633580Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.743757 -0.628020 0.000000\n-3.915788 6.782016 0.000000\n0.000000 0.000000 4.991130\nRb Mg Al\n1 6 1\ndirect\n0.276535 0.888232 0.250000 Rb\n0.722263 0.401485 0.250000 Mg\n0.722372 0.820864 0.250000 Mg\n0.293212 0.205069 0.750000 Mg\n0.293266 0.588136 0.750000 Mg\n0.773779 0.136885 0.750000 Mg\n0.814757 0.657405 0.750000 Mg\n0.103823 0.301925 0.250000 Al\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
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"density": 1.985555286822194,
"density_atomic": 0.03703677883938211,
"volume": 216.00150581922108,
"volume_molar": 16.259893405191356,
"formula_full": "Rb1 Mg6 Al1",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-1726",
"created_at": "2022-09-04T14:36:11.545031Z",
"updated_at": "2022-09-04T14:36:11.545055Z",
"structure_string": "Rb1 Lu1 Se2\n1.0\n4.004338 0.004602 7.216414\n1.871570 3.540052 7.216414\n0.007628 0.004602 8.252957\nRb Lu Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500000 Lu\n0.231289 0.231288 0.231288 Se\n0.768713 0.768710 0.768711 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Lu",
"Se"
],
"chemical_system": "Lu-Rb-Se",
"density": 5.955180986980028,
"density_atomic": 0.034289496061489365,
"volume": 116.65379954336547,
"volume_molar": 17.562640025974265,
"formula_full": "Rb1 Lu1 Se2",
"formula_reduced": "RbLuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3411881208333333,
"spacegroup": 166
},
{
"id": "jvasp-1675",
"created_at": "2022-09-04T14:36:57.435623Z",
"updated_at": "2022-09-04T14:36:57.435632Z",
"structure_string": "Rb1 Lu1 S2\n1.0\n3.849524 0.005930 6.947805\n1.800715 3.402395 6.947805\n0.009831 0.005930 7.942968\nRb Lu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.500000 Lu\n0.769930 0.769932 0.769931 S\n0.230069 0.230070 0.230070 S\n",
"nsites": 4,
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"elements": [
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"S"
],
"chemical_system": "Lu-Rb-S",
"density": 5.200607675459004,
"density_atomic": 0.03859789043047629,
"volume": 103.6326067406436,
"volume_molar": 15.602253627947015,
"formula_full": "Rb1 Lu1 S2",
"formula_reduced": "RbLuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5403314375000001,
"spacegroup": 166
}
]
}