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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=929",
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"results": [
{
"id": "jvasp-59274",
"created_at": "2022-09-04T14:38:10.826541Z",
"updated_at": "2022-09-04T14:38:10.826566Z",
"structure_string": "Sr2 Li2 Ta4 O12 F2\n1.0\n7.440554 -0.036316 -0.013273\n3.688827 6.461866 -0.013273\n3.698956 2.135594 6.040369\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.625000 0.124999 0.625001 Sr\n0.125000 0.625000 0.625001 Sr\n0.625000 0.625000 0.125001 Li\n0.625000 0.624999 0.625001 Li\n0.625000 0.124999 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.813255 0.813255 0.186746 O\n0.809422 0.189411 0.806078 O\n0.809421 0.189411 0.195090 O\n0.189412 0.809421 0.806078 O\n0.196753 0.196752 0.803248 O\n0.436744 0.436744 0.063256 O\n0.189412 0.809421 0.195090 O\n0.440579 0.060588 0.054911 O\n0.060588 0.440579 0.443923 O\n0.053248 0.053247 0.446753 O\n0.060588 0.440579 0.054911 O\n0.440579 0.060588 0.443923 O\n0.724146 0.724145 0.775855 F\n0.525854 0.525854 0.474146 F\n",
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"volume": 291.65468388410613,
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"formula_full": "Sr2 Li2 Ta4 O12 F2",
"formula_reduced": "SrLiTa2O6F",
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{
"id": "jvasp-3228",
"created_at": "2022-09-04T14:36:19.892038Z",
"updated_at": "2022-09-04T14:36:19.892067Z",
"structure_string": "Sr2 Li2 P2\n1.0\n2.180861 -3.777362 0.000000\n2.180861 3.777362 0.000000\n0.000000 0.000000 8.031337\nSr Li P\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n",
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"elements": [
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],
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"density": 3.150711646220467,
"density_atomic": 0.045343685044628504,
"volume": 132.3227257355602,
"volume_molar": 13.281101335440301,
"formula_full": "Sr2 Li2 P2",
"formula_reduced": "SrLiP",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-24364",
"created_at": "2022-09-04T14:37:06.693137Z",
"updated_at": "2022-09-04T14:37:06.693155Z",
"structure_string": "Sr2 Li2 Ni2 F12\n1.0\n2.567985 -4.447881 -0.000000\n2.567985 4.447881 -0.000000\n-0.000000 -0.000000 10.417110\nSr Li Ni F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.333332 0.666666 0.750000 Ni\n0.666666 0.333332 0.250000 Ni\n0.018001 0.638582 0.645890 F\n0.379419 0.361417 0.145890 F\n0.620579 0.981997 0.645890 F\n0.018001 0.379420 0.854110 F\n0.620579 0.638581 0.854110 F\n0.379420 0.018001 0.354110 F\n0.638581 0.620579 0.354110 F\n0.638582 0.018001 0.145890 F\n0.981997 0.361416 0.354110 F\n0.361416 0.981997 0.854110 F\n0.361417 0.379419 0.645890 F\n0.981997 0.620579 0.145890 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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],
"chemical_system": "F-Li-Ni-Sr",
"density": 3.7296278568617915,
"density_atomic": 0.07563966856417395,
"volume": 237.97037112515244,
"volume_molar": 7.961617064583931,
"formula_full": "Sr2 Li2 Ni2 F12",
"formula_reduced": "SrLiNiF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-50846",
"created_at": "2022-09-04T14:37:08.416389Z",
"updated_at": "2022-09-04T14:37:08.416411Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n0.000000 3.999658 -0.000000\n1.999828 -1.999828 17.151040\n3.999658 0.000000 0.000000\nSr Li Nb O\n2 2 4 13\ndirect\n0.617475 0.234948 0.382526 Sr\n0.382526 0.765052 0.617475 Sr\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Li\n0.943373 0.886747 0.056627 Nb\n0.820469 0.640939 0.179532 Nb\n0.056627 0.113253 0.943374 Nb\n0.179532 0.359061 0.820469 Nb\n0.563294 0.126586 0.936707 O\n0.673700 0.347400 0.826301 O\n0.235006 0.470014 0.764995 O\n0.117634 0.235268 0.882366 O\n0.882366 0.764732 0.117635 O\n0.173700 0.347400 0.326301 O\n0.436706 0.873414 0.063294 O\n0.326300 0.652600 0.173700 O\n0.936707 0.873414 0.563294 O\n0.063293 0.126586 0.436707 O\n0.000000 0.000000 0.000000 O\n0.764994 0.529986 0.235006 O\n0.826300 0.652600 0.673700 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.652562798032491,
"density_atomic": 0.07653905922249563,
"volume": 274.3697167606142,
"volume_molar": 7.868062164827379,
"formula_full": "Sr2 Li2 Nb4 O13",
"formula_reduced": "Sr2Li2Nb4O13",
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{
"id": "jvasp-116590",
"created_at": "2022-09-04T14:38:42.293935Z",
"updated_at": "2022-09-04T14:38:42.293961Z",
"structure_string": "Sr2 Li2 Cr2 F12\n1.0\n5.182048 -0.000000 0.000000\n-2.591024 4.487785 0.000000\n-0.000000 -0.000000 10.421408\nSr Li Cr F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.750000 Li\n0.666667 0.333334 0.250000 Li\n0.666667 0.333334 0.750000 Cr\n0.333334 0.666667 0.250000 Cr\n0.015061 0.639870 0.145092 F\n0.624810 0.639870 0.354908 F\n0.984941 0.360132 0.854908 F\n0.375192 0.360132 0.645092 F\n0.360132 0.375192 0.145092 F\n0.984941 0.624809 0.645092 F\n0.639870 0.624809 0.854908 F\n0.375192 0.015060 0.854908 F\n0.360133 0.984941 0.354908 F\n0.639869 0.015060 0.645092 F\n0.015061 0.375192 0.354908 F\n0.624810 0.984941 0.145092 F\n",
"nsites": 18,
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"elements": [
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"Cr",
"F"
],
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"density": 3.570311941718632,
"density_atomic": 0.07426986458833994,
"volume": 242.359402427481,
"volume_molar": 8.108457977376535,
"formula_full": "Sr2 Li2 Cr2 F12",
"formula_reduced": "SrLiCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.1564828227777781,
"spacegroup": 163
},
{
"id": "jvasp-24990",
"created_at": "2022-09-04T14:37:43.024220Z",
"updated_at": "2022-09-04T14:37:43.024247Z",
"structure_string": "Sr2 Li2 B6 S12\n1.0\n7.142332 0.039644 3.081928\n1.868619 7.309193 4.278039\n0.012839 0.000381 8.672802\nSr Li B S\n2 2 6 12\ndirect\n0.974407 0.137810 0.380924 Sr\n0.474407 0.380923 0.137811 Sr\n0.936572 0.489188 0.705990 Li\n0.436572 0.705989 0.489189 Li\n0.943400 0.014105 0.026579 B\n0.041942 0.758489 0.839157 B\n0.541942 0.839156 0.758489 B\n0.023163 0.604587 0.248433 B\n0.443400 0.026578 0.014106 B\n0.523163 0.248433 0.604587 B\n0.436439 0.253671 0.829846 S\n0.936439 0.829845 0.253673 S\n0.076276 0.731811 0.637709 S\n0.087594 0.403698 0.441286 S\n0.563478 0.052639 0.555141 S\n0.587594 0.441286 0.403698 S\n0.063478 0.555141 0.052640 S\n0.576276 0.637709 0.731811 S\n0.992843 0.992310 0.813490 S\n0.492843 0.813489 0.992311 S\n0.405377 0.017022 0.236252 S\n0.905377 0.236252 0.017023 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Li",
"B",
"S"
],
"chemical_system": "B-Li-S-Sr",
"density": 2.347604621830689,
"density_atomic": 0.04869175047909192,
"volume": 451.8219161056189,
"volume_molar": 12.36788716927704,
"formula_full": "Sr2 Li2 B6 S12",
"formula_reduced": "SrLi(BS2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 2.650552187272728,
"spacegroup": 9
},
{
"id": "jvasp-21388",
"created_at": "2022-09-04T14:38:32.597786Z",
"updated_at": "2022-09-04T14:38:32.597806Z",
"structure_string": "Sr2 Li2 Al2 F12\n1.0\n2.552496 -4.421051 -0.000000\n2.552496 4.421051 0.000000\n0.000000 0.000000 10.305641\nSr Li Al F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333334 0.666668 0.250000 Li\n0.666668 0.333334 0.750000 Li\n0.666668 0.333334 0.250000 Al\n0.333334 0.666668 0.750000 Al\n0.641554 0.027551 0.351809 F\n0.358448 0.385998 0.851809 F\n0.972451 0.614004 0.351809 F\n0.385997 0.027551 0.148191 F\n0.641554 0.614004 0.148191 F\n0.027551 0.385997 0.648191 F\n0.614004 0.641554 0.648191 F\n0.027551 0.641554 0.851809 F\n0.358448 0.972451 0.648191 F\n0.972451 0.358448 0.148191 F\n0.385998 0.358448 0.351809 F\n0.614004 0.972451 0.851809 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Al",
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],
"chemical_system": "Al-F-Li-Sr",
"density": 3.3630643612190325,
"density_atomic": 0.07738858479906334,
"volume": 232.59244301645197,
"volume_molar": 7.781691286429738,
"formula_full": "Sr2 Li2 Al2 F12",
"formula_reduced": "SrLiAlF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-42019",
"created_at": "2022-09-04T14:37:31.818430Z",
"updated_at": "2022-09-04T14:37:31.818455Z",
"structure_string": "Sr2 Li1 Tl1\n1.0\n0.000000 4.057947 4.057947\n4.057947 0.000000 4.057947\n4.057947 4.057947 0.000000\nSr Li Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Sr-Tl",
"density": 4.8031011629848965,
"density_atomic": 0.029930287197250854,
"volume": 133.64388967064127,
"volume_molar": 20.120557882762796,
"formula_full": "Sr2 Li1 Tl1",
"formula_reduced": "Sr2LiTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100618",
"created_at": "2022-09-04T14:36:57.008461Z",
"updated_at": "2022-09-04T14:36:57.008489Z",
"structure_string": "Sr2 Li1 Rh1\n1.0\n4.593852 0.000000 2.652261\n1.531284 4.331126 2.652261\n0.000000 0.000000 5.304524\nSr Li Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.749999 Sr\n0.499999 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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],
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"formula_full": "Sr2 Li1 Rh1",
"formula_reduced": "Sr2LiRh",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42018",
"created_at": "2022-09-04T14:37:31.098538Z",
"updated_at": "2022-09-04T14:37:31.098553Z",
"structure_string": "Sr2 Li1 Pt1\n1.0\n0.000000 3.765284 3.765284\n3.765284 0.000000 3.765284\n3.765284 3.765284 -0.000000\nSr Li Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.249999 0.249999 0.249999 Li\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
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],
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"volume": 106.76360065546484,
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"formula_full": "Sr2 Li1 Pt1",
"formula_reduced": "Sr2LiPt",
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},
{
"id": "jvasp-102681",
"created_at": "2022-09-04T14:36:58.141125Z",
"updated_at": "2022-09-04T14:36:58.141153Z",
"structure_string": "Sr2 Li1 N1\n1.0\n3.752414 0.002303 -6.369604\n-0.276986 3.742178 -6.369604\n-0.002137 -0.002303 7.392730\nSr Li N\n2 1 1\ndirect\n0.663953 0.663955 -0.000001 Sr\n0.350167 0.350168 -0.000000 Sr\n0.979845 0.979847 -0.000001 Li\n0.839028 0.839030 -0.000001 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.1413880347151806,
"density_atomic": 0.03857098265257649,
"volume": 103.7049026214738,
"volume_molar": 15.613138027215205,
"formula_full": "Sr2 Li1 N1",
"formula_reduced": "Sr2LiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0646664675,
"spacegroup": 107
},
{
"id": "jvasp-81664",
"created_at": "2022-09-04T14:37:07.915629Z",
"updated_at": "2022-09-04T14:37:07.915644Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-11.753085 0.000001 -6.785648\n-7.724919 0.293945 -0.191343\n-6.631235 3.387350 -2.085659\nSr Li Mg\n2 1 1\ndirect\n0.760949 0.000000 -0.000000 Sr\n0.239052 0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Mg\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.0917262979752613,
"density_atomic": 0.02440198406120292,
"volume": 163.92109715208198,
"volume_molar": 24.67889801458682,
"formula_full": "Sr2 Li1 Mg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
}
]
}