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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4580",
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{
"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",
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"formula_full": "Al2 Zn1 Se2 S2",
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{
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"created_at": "2022-09-04T14:36:43.495280Z",
"updated_at": "2022-09-04T14:36:43.495309Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n5.092089 -0.000000 -2.294917\n-1.034279 4.985944 -2.294917\n-0.021670 -0.026627 6.748681\nAl Zn Se\n2 1 4\ndirect\n0.250000 0.749999 0.499999 Al\n0.500000 0.500000 -0.000001 Al\n0.000000 0.000000 0.000000 Zn\n0.398579 0.378870 0.266233 Se\n0.112638 0.601420 0.733766 Se\n0.621129 0.132346 0.733766 Se\n0.867653 0.887361 0.266232 Se\n",
"nsites": 7,
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{
"id": "jvasp-102804",
"created_at": "2022-09-04T14:37:06.415678Z",
"updated_at": "2022-09-04T14:37:06.415733Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n3.861391 -0.000000 0.000000\n0.000000 6.469926 0.038431\n0.000000 0.001396 6.888171\nAl Zn Se\n2 1 4\ndirect\n0.500000 0.521040 0.171733 Al\n0.500000 0.972446 0.851125 Al\n-0.000000 0.512236 0.651715 Zn\n-0.000000 0.893232 0.646031 Se\n0.500000 0.882242 0.178129 Se\n0.500000 0.364611 0.841588 Se\n-0.000000 0.354197 0.326328 Se\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.199557630075123,
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"volume": 172.08637673435317,
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"formula_full": "Al2 Zn1 Se4",
"formula_reduced": "Al2ZnSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 6
},
{
"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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],
"chemical_system": "Al-S-Zn",
"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",
"nsites": 14,
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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",
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"spacegroup": 227
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{
"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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"density": 2.799053033746334,
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"volume": 146.9078053814298,
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"formula_full": "Al2 Zn1 S4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-94964",
"created_at": "2022-09-04T14:36:32.369041Z",
"updated_at": "2022-09-04T14:36:32.369075Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.842991 3.192155 0.000000\n-3.685982 -0.000000 -0.000000\n-1.842991 1.064051 12.151464\nAl Zn S\n2 1 4\ndirect\n0.236692 0.236692 0.289922 Al\n0.762163 0.762164 0.713506 Al\n0.999425 0.999426 0.001721 Zn\n0.122127 0.122127 0.633619 S\n0.876732 0.876733 0.369801 S\n0.702419 0.702421 0.892738 S\n0.296436 0.296436 0.110691 S\n",
"nsites": 7,
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"elements": [
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"Zn",
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],
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"density": 2.8760088123024383,
"density_atomic": 0.04895896794775068,
"volume": 142.97687008987697,
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"formula_full": "Al2 Zn1 S4",
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"spacegroup": 166
},
{
"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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"density": 2.958917108229638,
"density_atomic": 0.05037033518193271,
"volume": 138.9706853193787,
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"formula_full": "Al2 Zn1 S4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 156
},
{
"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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"formula_full": "Al2 Zn1 S4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 160
},
{
"id": "jvasp-9145",
"created_at": "2022-09-04T14:38:18.754143Z",
"updated_at": "2022-09-04T14:38:18.754174Z",
"structure_string": "Al4 Zn2 O8\n1.0\n4.995830 0.000000 2.884344\n1.665276 4.710114 2.884344\n-0.000000 0.000000 5.768687\nAl Zn O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.500000 Al\n0.875001 0.874999 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.735634 0.735632 0.735632 O\n0.264367 0.264367 0.706898 O\n0.264368 0.706897 0.264366 O\n0.706898 0.264367 0.264367 O\n0.735633 0.293102 0.735633 O\n0.293103 0.735632 0.735633 O\n0.264367 0.264367 0.264367 O\n0.735634 0.735632 0.293101 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Al-O-Zn",
"density": 4.486323308227327,
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"volume": 135.74256320851066,
"volume_molar": 5.8390058768917745,
"formula_full": "Al4 Zn2 O8",
"formula_reduced": "Al2ZnO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-16762",
"created_at": "2022-09-04T14:38:32.918638Z",
"updated_at": "2022-09-04T14:38:32.918654Z",
"structure_string": "Al6 W3\n1.0\n2.438891 -4.224284 -0.000000\n2.438891 4.224284 -0.000000\n-0.000000 0.000000 6.805218\nAl W\n6 3\ndirect\n0.168970 0.831029 0.666667 Al\n0.831030 0.662061 0.000000 Al\n0.337939 0.168970 0.333333 Al\n0.831029 0.168970 0.666667 Al\n0.168970 0.337939 0.000000 Al\n0.662061 0.831030 0.333333 Al\n0.000000 0.500000 0.333333 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.666667 W\n",
"nsites": 9,
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"density": 8.44831863527124,
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"formula_full": "Al6 W3",
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"spacegroup": 181
},
{
"id": "jvasp-32751",
"created_at": "2022-09-04T14:37:16.790967Z",
"updated_at": "2022-09-04T14:37:16.790985Z",
"structure_string": "Al4 V2 Cl16\n1.0\n6.856994 0.000000 3.009971\n3.121018 8.420237 2.205451\n-0.079674 -0.081759 9.496923\nAl V Cl\n4 2 16\ndirect\n0.164960 0.644780 0.535508 Al\n0.345248 0.855221 0.964491 Al\n0.835040 0.355221 0.464492 Al\n0.654753 0.144779 0.035508 Al\n-0.009684 0.750000 0.250000 V\n0.009685 0.250000 0.750000 V\n0.163553 0.455171 0.721353 Cl\n0.852599 0.789890 0.529138 Cl\n0.702232 0.452831 0.688890 Cl\n0.659922 0.955171 0.221353 Cl\n0.147401 0.210110 0.470862 Cl\n0.340078 0.044829 0.778646 Cl\n0.843954 0.047169 0.811109 Cl\n0.828373 0.289890 0.029138 Cl\n0.297769 0.547170 0.311109 Cl\n0.655842 0.721853 0.948641 Cl\n0.156046 0.952831 0.188890 Cl\n0.171627 0.710110 0.970861 Cl\n0.673663 0.221853 0.448642 Cl\n0.326337 0.778147 0.551357 Cl\n0.344158 0.278147 0.051358 Cl\n0.836448 0.544830 0.278646 Cl\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Al-Cl-V",
"density": 2.342584116117892,
"density_atomic": 0.03994071307582847,
"volume": 550.816405261279,
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"formula_full": "Al4 V2 Cl16",
"formula_reduced": "Al2VCl8",
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}
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}