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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=388",
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{
"id": "jvasp-8525",
"created_at": "2022-09-04T14:37:01.255563Z",
"updated_at": "2022-09-04T14:37:01.255588Z",
"structure_string": "Sr2 Al4\n1.0\n4.415863 0.000000 1.899773\n2.187895 5.617152 0.996460\n-0.012028 0.001272 6.109998\nSr Al\n2 4\ndirect\n0.450423 0.299576 0.799577 Sr\n0.549575 0.700423 0.200424 Sr\n0.161016 0.272586 0.405382 Al\n0.838982 0.727414 0.594619 Al\n0.838983 0.094618 0.227414 Al\n0.161015 0.905381 0.772587 Al\n",
"nsites": 6,
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"volume": 151.68394012946933,
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{
"id": "jvasp-15054",
"created_at": "2022-09-04T14:36:45.418480Z",
"updated_at": "2022-09-04T14:36:45.418513Z",
"structure_string": "Sr1 Al4\n1.0\n4.197061 -0.000000 -1.567857\n-0.585690 4.155994 -1.567857\n0.020905 0.024058 6.457531\nSr Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 Al\n0.249999 0.750000 0.499999 Al\n0.383722 0.383723 0.767444 Al\n0.616277 0.616277 0.232554 Al\n",
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"formula_full": "Sr1 Al4",
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{
"id": "jvasp-9076",
"created_at": "2022-09-04T14:37:27.179628Z",
"updated_at": "2022-09-04T14:37:27.179650Z",
"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Al-Sr",
"density": 3.1812508777771975,
"density_atomic": 0.039388726117913615,
"volume": 355.43165214558525,
"volume_molar": 15.288995998429074,
"formula_full": "Sr5 Al9",
"formula_reduced": "Sr5Al9",
"formula_anonymous": "A5B9",
"energy_above_hull": 1.0676461964285715,
"spacegroup": 166
},
{
"id": "jvasp-22543",
"created_at": "2022-09-04T14:37:27.317146Z",
"updated_at": "2022-09-04T14:37:27.317168Z",
"structure_string": "Sr1 Al2 Te4\n1.0\n6.749684 0.003429 0.003429\n3.371783 5.889706 0.001750\n3.371783 0.001750 5.889706\nSr Al Te\n1 2 4\ndirect\n0.749999 0.999995 0.000006 Sr\n0.249999 0.500010 0.499991 Al\n0.749999 0.499993 0.500007 Al\n0.174054 0.500002 0.151888 Te\n0.325944 0.848113 0.499999 Te\n0.674048 0.151894 0.500005 Te\n0.825950 0.499996 0.848107 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Al",
"Te"
],
"chemical_system": "Al-Sr-Te",
"density": 4.626658043059625,
"density_atomic": 0.02991438102823797,
"volume": 234.00116463691097,
"volume_molar": 20.131256449248745,
"formula_full": "Sr1 Al2 Te4",
"formula_reduced": "Sr(AlTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9251189966666667,
"spacegroup": 97
},
{
"id": "jvasp-31173",
"created_at": "2022-09-04T14:38:17.627392Z",
"updated_at": "2022-09-04T14:38:17.627413Z",
"structure_string": "Sr1 Al2 Te4\n1.0\n6.749684 0.003429 0.003429\n3.371782 5.889709 0.001750\n3.371782 0.001750 5.889709\nSr Al Te\n1 2 4\ndirect\n0.749999 0.999995 0.000006 Sr\n0.249999 0.500010 0.499991 Al\n0.749999 0.499993 0.500007 Al\n0.174054 0.500002 0.151888 Te\n0.325945 0.848112 0.499998 Te\n0.674048 0.151894 0.500005 Te\n0.825950 0.499995 0.848106 Te\n",
"nsites": 7,
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"elements": [
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"Al",
"Te"
],
"chemical_system": "Al-Sr-Te",
"density": 4.626653327594159,
"density_atomic": 0.029914350539658668,
"volume": 234.00140312990638,
"volume_molar": 20.13127696694001,
"formula_full": "Sr1 Al2 Te4",
"formula_reduced": "Sr(AlTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9251175680952382,
"spacegroup": 97
},
{
"id": "jvasp-108162",
"created_at": "2022-09-04T14:36:13.549727Z",
"updated_at": "2022-09-04T14:36:13.549743Z",
"structure_string": "Al2 Zn1 Se2 S2\n1.0\n3.775075 -0.000000 0.000000\n0.000000 6.293460 0.057181\n-0.000000 0.010316 6.842558\nAl Zn Se S\n2 1 2 2\ndirect\n0.500001 0.528462 0.170979 Al\n0.500001 0.966001 0.850545 Al\n-0.000000 0.519794 0.648589 Zn\n0.500001 0.364877 0.842020 Se\n-0.000000 0.352954 0.327680 Se\n-0.000000 0.890727 0.665861 S\n0.500001 0.877187 0.160976 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Zn",
"Se",
"S"
],
"chemical_system": "Al-S-Se-Zn",
"density": 3.4874910268009702,
"density_atomic": 0.043059644617858925,
"volume": 162.56520605599147,
"volume_molar": 13.985579336394071,
"formula_full": "Al2 Zn1 Se2 S2",
"formula_reduced": "Al2Zn(SeS)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.2243246761904765,
"spacegroup": 6
},
{
"id": "jvasp-22034",
"created_at": "2022-09-04T14:37:34.626220Z",
"updated_at": "2022-09-04T14:37:34.626237Z",
"structure_string": "Sr8 Al16 S32\n1.0\n11.551426 -0.007091 -3.074151\n-6.721065 9.394826 -3.074151\n-0.011716 -0.022771 12.094625\nSr Al S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Sr\n0.375000 0.625000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.623410 0.873410 0.746819 Sr\n0.126590 0.376590 0.753181 Sr\n0.376590 0.126590 0.253181 Sr\n0.873410 0.623410 0.246819 Sr\n0.125000 0.875000 0.750000 Sr\n0.531041 0.637495 0.999776 Al\n0.637719 0.031265 0.500225 Al\n0.362505 0.468960 0.500225 Al\n0.968735 0.362282 0.999776 Al\n0.889827 0.864677 0.999094 Al\n0.362281 0.968735 0.499776 Al\n0.637495 0.531041 0.499776 Al\n0.031265 0.637719 0.000225 Al\n0.865583 0.390734 0.500907 Al\n0.135324 0.110173 0.500907 Al\n0.609267 0.134417 0.999094 Al\n0.110173 0.135324 0.000907 Al\n0.134417 0.609267 0.499094 Al\n0.864676 0.889827 0.499094 Al\n0.468959 0.362505 0.000225 Al\n0.390733 0.865583 0.000907 Al\n0.918394 0.418465 0.835541 S\n0.417146 0.417076 0.835541 S\n0.581535 0.081606 0.664460 S\n0.645553 0.336571 0.998327 S\n0.338244 0.147227 0.501674 S\n0.661756 0.852774 0.498327 S\n0.852773 0.661756 0.998327 S\n0.354447 0.663430 0.001674 S\n0.336570 0.645553 0.498327 S\n0.147227 0.338244 0.001674 S\n0.663430 0.354448 0.501674 S\n0.582924 0.582854 0.664460 S\n0.582854 0.582924 0.164460 S\n0.081606 0.581535 0.164459 S\n0.312413 0.160602 0.001559 S\n0.159043 0.810854 0.498441 S\n0.839398 0.687588 0.498441 S\n0.189147 0.840957 0.001559 S\n0.687587 0.839399 0.998442 S\n0.840957 0.189147 0.501559 S\n0.160602 0.312413 0.501559 S\n0.418465 0.918395 0.335541 S\n0.810853 0.159043 0.998442 S\n0.081314 0.080549 0.163701 S\n0.582387 0.083151 0.163701 S\n0.083150 0.582387 0.663701 S\n0.918686 0.919451 0.836300 S\n0.417613 0.916850 0.836300 S\n0.080549 0.081314 0.663701 S\n0.417076 0.417147 0.335541 S\n0.916850 0.417613 0.336300 S\n0.919451 0.918687 0.336300 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
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"Al",
"S"
],
"chemical_system": "Al-S-Sr",
"density": 2.7356480190688046,
"density_atomic": 0.04273639454493484,
"volume": 1310.3585502777792,
"volume_molar": 14.091363635432721,
"formula_full": "Sr8 Al16 S32",
"formula_reduced": "Sr(AlS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4589917014285714,
"spacegroup": 70
},
{
"id": "jvasp-107367",
"created_at": "2022-09-04T14:36:58.382718Z",
"updated_at": "2022-09-04T14:36:58.382734Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.666488 -0.000000 0.000000\n0.000000 6.124577 0.040891\n-0.000000 0.006266 6.550943\nAl Zn S\n2 1 4\ndirect\n0.500000 0.519120 0.171351 Al\n0.500000 0.975393 0.850082 Al\n-0.000000 0.510905 0.651717 Zn\n-0.000000 0.892169 0.654280 S\n0.500000 0.876831 0.170530 S\n0.500000 0.363823 0.843508 S\n-0.000000 0.361763 0.325180 S\n",
"nsites": 7,
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"elements": [
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"density": 2.795301025967649,
"density_atomic": 0.047585060500945776,
"volume": 147.10499317030124,
"volume_molar": 12.655528219577038,
"formula_full": "Al2 Zn1 S4",
"formula_reduced": "Al2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3702137142857145,
"spacegroup": 6
},
{
"id": "jvasp-9688",
"created_at": "2022-09-04T14:38:12.689258Z",
"updated_at": "2022-09-04T14:38:12.689279Z",
"structure_string": "Al4 Zn2 S8\n1.0\n6.169262 -0.000000 3.561825\n2.056421 5.816436 3.561825\n-0.000000 -0.000000 7.123650\nAl Zn S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.875001 Zn\n0.259548 0.259548 0.721355 S\n0.740452 0.740453 0.740453 S\n0.259548 0.259548 0.259548 S\n0.740452 0.740453 0.278646 S\n0.278645 0.740453 0.740453 S\n0.740452 0.278645 0.740453 S\n0.721355 0.259548 0.259549 S\n0.259548 0.721356 0.259549 S\n",
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"elements": [
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],
"chemical_system": "Al-S-Zn",
"density": 3.217312541906652,
"density_atomic": 0.05476906083990809,
"volume": 255.6187706216562,
"volume_molar": 10.995515839869759,
"formula_full": "Al4 Zn2 S8",
"formula_reduced": "Al2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3623465714285712,
"spacegroup": 227
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{
"id": "jvasp-94826",
"created_at": "2022-09-04T14:36:06.928052Z",
"updated_at": "2022-09-04T14:36:06.928072Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.840295 -3.187484 0.000000\n1.840295 -3.187484 0.000000\n0.000000 -2.124990 11.857800\nAl Zn S\n2 1 4\ndirect\n0.000565 0.000565 0.998307 Al\n0.231038 0.231038 0.306885 Al\n0.771612 0.771612 0.685163 Zn\n0.125915 0.125915 0.622254 S\n0.873301 0.873301 0.380092 S\n0.699201 0.699201 0.902395 S\n0.294365 0.294365 0.116903 S\n",
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"elements": [
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],
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"density": 2.9558774326863793,
"density_atomic": 0.05031859007709944,
"volume": 139.11359577592336,
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"formula_full": "Al2 Zn1 S4",
"formula_reduced": "Al2ZnS4",
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"spacegroup": 160
},
{
"id": "jvasp-94962",
"created_at": "2022-09-04T14:36:32.606724Z",
"updated_at": "2022-09-04T14:36:32.606744Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.760386 -3.760386 -0.000000\n3.760386 3.760386 -0.000000\n-3.760386 0.000000 5.194575\nAl Zn S\n2 1 4\ndirect\n0.500001 0.500001 0.000000 Al\n0.250000 0.750001 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n0.615189 0.129650 0.738446 S\n0.123258 0.608796 0.738446 S\n0.870351 0.876743 0.261555 S\n0.391205 0.384812 0.261555 S\n",
"nsites": 7,
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"elements": [
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],
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"volume": 146.9078053814298,
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"formula_full": "Al2 Zn1 S4",
"formula_reduced": "Al2ZnS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-94963",
"created_at": "2022-09-04T14:36:31.937518Z",
"updated_at": "2022-09-04T14:36:31.937542Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.841947 -3.190343 -0.000002\n-1.841944 3.190341 0.000000\n-0.000007 -0.000004 -11.824402\nAl Zn S\n2 1 4\ndirect\n0.666642 0.333322 0.924412 Al\n0.333326 0.666664 0.615566 Al\n0.999973 0.999987 0.302025 Zn\n0.999974 0.999989 0.997309 S\n-0.000009 -0.000004 0.519196 S\n0.666653 0.333327 0.734078 S\n0.666640 0.333321 0.239412 S\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.05037033518193271,
"volume": 138.9706853193787,
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"formula_full": "Al2 Zn1 S4",
"formula_reduced": "Al2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.378513714285714,
"spacegroup": 156
}
]
}