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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4438",
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"results": [
{
"id": "jvasp-100124",
"created_at": "2022-09-04T14:36:20.877700Z",
"updated_at": "2022-09-04T14:36:20.877711Z",
"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
"nsites": 10,
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"volume": 346.16943584918187,
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{
"id": "jvasp-102873",
"created_at": "2022-09-04T14:36:45.922357Z",
"updated_at": "2022-09-04T14:36:45.922379Z",
"structure_string": "K2 Al1 In1 Br6\n1.0\n6.802684 -0.000000 3.927531\n2.267561 6.413632 3.927531\n-0.000000 -0.000000 7.855063\nK Al In Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.773739 0.226261 0.226261 Br\n0.226261 0.226261 0.773739 Br\n0.226261 0.773739 0.773739 Br\n0.226261 0.773739 0.226261 Br\n0.773739 0.226261 0.773739 Br\n0.773738 0.773739 0.226261 Br\n",
"nsites": 10,
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"formula_full": "K2 Al1 In1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-105669",
"created_at": "2022-09-04T14:35:45.264196Z",
"updated_at": "2022-09-04T14:35:45.264218Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.030553077140105245,
"volume": 327.299275098991,
"volume_molar": 19.710423052920866,
"formula_full": "Rb2 Al1 Hg1 Br6",
"formula_reduced": "Rb2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105070",
"created_at": "2022-09-04T14:36:51.984184Z",
"updated_at": "2022-09-04T14:36:51.984210Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n6.654774 -0.000000 3.842136\n2.218258 6.274181 3.842136\n-0.000000 -0.000000 7.684271\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.767789 0.232211 0.232212 Br\n0.232211 0.232211 0.767789 Br\n0.232211 0.767789 0.767789 Br\n0.232211 0.767789 0.232212 Br\n0.767789 0.232211 0.767790 Br\n0.767789 0.767789 0.232212 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.031167859174857628,
"volume": 320.8433387708182,
"volume_molar": 19.321637479862325,
"formula_full": "Na2 Al1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-24487",
"created_at": "2022-09-04T14:38:32.258030Z",
"updated_at": "2022-09-04T14:38:32.258055Z",
"structure_string": "Na8 Al6 Ge6 Br2 O24\n1.0\n9.155203 -0.000000 -0.000000\n0.000000 9.155203 -0.000000\n0.000000 0.000000 9.155203\nNa Al Ge Br O\n8 6 6 2 24\ndirect\n0.178685 0.821314 0.821314 Na\n0.321315 0.678685 0.321315 Na\n0.178685 0.178685 0.178685 Na\n0.321315 0.321315 0.678685 Na\n0.678685 0.321315 0.321315 Na\n0.821314 0.821314 0.178685 Na\n0.678685 0.678685 0.678685 Na\n0.821314 0.178685 0.821314 Na\n0.750000 0.000000 0.500000 Al\n0.500000 0.750000 0.000000 Al\n0.500000 0.250000 0.000000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.250000 0.000000 0.500000 Al\n0.500000 0.000000 0.750000 Ge\n0.000000 0.750000 0.500000 Ge\n0.000000 0.250000 0.500000 Ge\n0.750000 0.500000 0.000000 Ge\n0.500000 0.000000 0.250000 Ge\n0.250000 0.500000 0.000000 Ge\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.573277 0.856081 0.143853 O\n0.356146 0.643918 0.073277 O\n0.073277 0.643853 0.356081 O\n0.143853 0.426723 0.143919 O\n0.856146 0.573277 0.143919 O\n0.073277 0.356146 0.643918 O\n0.926722 0.643853 0.643918 O\n0.356081 0.073277 0.643853 O\n0.856146 0.426723 0.856081 O\n0.426723 0.856081 0.856146 O\n0.143919 0.856146 0.573277 O\n0.143919 0.143853 0.426723 O\n0.643853 0.356081 0.073277 O\n0.926722 0.356146 0.356081 O\n0.143853 0.573277 0.856081 O\n0.426723 0.143919 0.143853 O\n0.356081 0.926722 0.356146 O\n0.643853 0.643918 0.926722 O\n0.356146 0.356081 0.926722 O\n0.643918 0.926722 0.643853 O\n0.856081 0.856146 0.426723 O\n0.573277 0.143919 0.856146 O\n0.643918 0.073277 0.356146 O\n0.856081 0.143853 0.573277 O\n",
"nsites": 46,
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"elements": [
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],
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"density": 2.8681744190291214,
"density_atomic": 0.05994512862070334,
"volume": 767.3684427480385,
"volume_molar": 10.046088645675413,
"formula_full": "Na8 Al6 Ge6 Br2 O24",
"formula_reduced": "Na4Al3Ge3BrO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.751074276304348,
"spacegroup": 218
},
{
"id": "jvasp-59547",
"created_at": "2022-09-04T14:37:53.464605Z",
"updated_at": "2022-09-04T14:37:53.464621Z",
"structure_string": "Al8 Re12 B4\n1.0\n6.599181 -0.000000 3.810038\n2.199727 6.221767 3.810038\n-0.000000 -0.000000 7.620077\nAl Re B\n8 12 4\ndirect\n0.710982 0.710983 0.710983 Al\n0.710982 0.710983 0.367054 Al\n0.289018 0.632946 0.289018 Al\n0.367054 0.710983 0.710983 Al\n0.289018 0.289018 0.289018 Al\n0.632946 0.289018 0.289018 Al\n0.289018 0.289018 0.632946 Al\n0.710982 0.367054 0.710983 Al\n0.934007 0.934007 0.315993 Re\n0.315993 0.315993 0.934007 Re\n0.065993 0.684007 0.684007 Re\n0.315993 0.934007 0.934007 Re\n0.684007 0.065993 0.684007 Re\n0.684007 0.684007 0.065993 Re\n0.065993 0.065993 0.684007 Re\n0.934007 0.315993 0.934007 Re\n0.315993 0.934007 0.315993 Re\n0.934007 0.315993 0.315993 Re\n0.684007 0.065993 0.065993 Re\n0.065993 0.684007 0.065993 Re\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n",
"nsites": 24,
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"elements": [
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],
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"density": 13.234554114394328,
"density_atomic": 0.07670931393129311,
"volume": 312.8694387945678,
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"formula_full": "Al8 Re12 B4",
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"formula_anonymous": "AB2C3",
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"spacegroup": 227
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
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"formula_full": "Al4 Br12",
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},
{
"id": "jvasp-31825",
"created_at": "2022-09-04T14:37:59.133094Z",
"updated_at": "2022-09-04T14:37:59.133125Z",
"structure_string": "Al6 Br24\n1.0\n12.409016 0.000000 -0.000000\n6.204508 10.746522 -0.000000\n6.204508 3.582174 10.131918\nAl Br\n6 24\ndirect\n0.250000 0.250000 0.750000 Al\n0.750001 0.250000 0.750000 Al\n0.750001 0.750000 0.250000 Al\n0.250001 0.749999 0.750000 Al\n0.250000 0.750000 0.250000 Al\n0.750000 0.250000 0.250000 Al\n0.286756 0.067019 0.713245 Br\n0.786756 0.213244 0.567020 Br\n0.786756 0.567019 0.432981 Br\n0.713245 0.286755 0.067020 Br\n0.213245 0.432980 0.567020 Br\n0.432981 0.786755 0.567020 Br\n0.067020 0.713244 0.286755 Br\n0.432981 0.567019 0.213245 Br\n0.567020 0.786755 0.213245 Br\n0.213245 0.567019 0.786756 Br\n0.432981 0.213244 0.786756 Br\n0.713245 0.067019 0.932981 Br\n0.713245 0.932980 0.286755 Br\n0.567020 0.432980 0.786756 Br\n0.786756 0.432980 0.213245 Br\n0.286756 0.713244 0.932981 Br\n0.067020 0.932980 0.713245 Br\n0.286756 0.932980 0.067020 Br\n0.067020 0.286755 0.932981 Br\n0.932981 0.286755 0.713245 Br\n0.932981 0.713244 0.067020 Br\n0.932981 0.067019 0.286755 Br\n0.213245 0.786755 0.432981 Br\n0.567020 0.213244 0.432981 Br\n",
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"formula_full": "Al6 Br24",
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},
{
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"created_at": "2022-09-04T14:37:04.249822Z",
"updated_at": "2022-09-04T14:37:04.249844Z",
"structure_string": "Al1 B2 Pb1\n1.0\n0.000000 3.222117 3.222117\n3.222117 0.000000 3.222117\n3.222117 3.222117 0.000000\nAl B Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.750001 0.750001 0.750001 B\n0.250000 0.250000 0.250000 Pb\n",
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{
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"updated_at": "2022-09-04T14:38:02.766401Z",
"structure_string": "Yb1 Al3 B4 O12\n1.0\n5.727690 0.015140 -1.459286\n-1.881220 5.409960 -1.459286\n0.010734 0.015140 5.910654\nYb Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.443013 0.556987 Al\n0.556987 0.000000 0.443012 Al\n0.443013 0.556987 -0.000001 Al\n0.941525 0.500000 0.058474 B\n0.500000 0.500000 0.499999 B\n0.058475 0.941525 0.499999 B\n0.499999 0.058475 0.941524 B\n0.500000 0.909508 0.090491 O\n0.090491 0.500000 0.909507 O\n0.909508 0.090492 0.499999 O\n0.029515 0.774940 0.624124 O\n0.774940 0.624125 0.029515 O\n0.225060 0.970484 0.375874 O\n0.375875 0.225060 0.970483 O\n0.970484 0.375875 0.225059 O\n0.500000 0.648101 0.351898 O\n0.351899 0.500000 0.648100 O\n0.648100 0.351899 0.499999 O\n0.624124 0.029516 0.774939 O\n",
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},
{
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"created_at": "2022-09-04T14:37:58.637609Z",
"updated_at": "2022-09-04T14:37:58.637633Z",
"structure_string": "Y1 Al3 B4 O12\n1.0\n5.731985 -0.005727 -1.470420\n-1.893893 5.410070 -1.470420\n-0.004067 -0.005727 5.917582\nY Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Y\n-0.000000 0.555566 0.444433 Al\n0.444433 -0.000001 0.555566 Al\n0.555567 0.444433 0.000000 Al\n0.056689 0.499999 0.943310 B\n0.500000 0.499999 0.500000 B\n0.943311 0.056688 0.500000 B\n0.500001 0.943310 0.056689 B\n0.779576 0.028889 0.628142 O\n0.628143 0.779576 0.028890 O\n0.028890 0.628142 0.779576 O\n0.351500 0.648500 0.500000 O\n0.648501 0.499999 0.351500 O\n0.091368 0.908631 0.500000 O\n0.500000 0.091367 0.908631 O\n0.908633 0.499999 0.091368 O\n0.971110 0.220423 0.371857 O\n0.371858 0.971109 0.220424 O\n0.220423 0.371857 0.971109 O\n0.500000 0.351499 0.648500 O\n",
"nsites": 20,
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"elements": [
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],
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},
{
"id": "jvasp-88640",
"created_at": "2022-09-04T14:36:09.403522Z",
"updated_at": "2022-09-04T14:36:09.403541Z",
"structure_string": "Tm1 Al3 B4 O12\n1.0\n5.714924 -0.008884 -1.469422\n-1.892944 5.392328 -1.469422\n-0.006307 -0.008884 5.900807\nTm Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.444721 0.555280 0.000000 Al\n0.000000 0.444721 0.555280 Al\n0.555279 0.000001 0.444721 Al\n0.055908 0.944093 0.500001 B\n0.500000 0.500001 0.500001 B\n0.500000 0.055909 0.944093 B\n0.944092 0.500001 0.055908 B\n0.091997 0.500001 0.908004 O\n0.908002 0.091998 0.500001 O\n0.500000 0.648543 0.351459 O\n0.351458 0.500001 0.648543 O\n0.631179 0.029202 0.781893 O\n0.781892 0.631181 0.029201 O\n0.029201 0.781893 0.631181 O\n0.970799 0.368821 0.218109 O\n0.218109 0.970800 0.368821 O\n0.368820 0.218109 0.970800 O\n0.500001 0.908003 0.091998 O\n0.648542 0.351459 0.500001 O\n",
"nsites": 20,
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],
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"formula_full": "Tm1 Al3 B4 O12",
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}
]
}