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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3393",
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"results": [
{
"id": "jvasp-8174",
"created_at": "2022-09-04T14:37:03.066439Z",
"updated_at": "2022-09-04T14:37:03.066463Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.053779 -0.017277 9.268967\n1.924353 3.567953 9.268967\n-0.029089 -0.017277 10.116622\nSb Te Se\n2 1 2\ndirect\n0.391894 0.391893 0.391895 Sb\n0.599603 0.599601 0.599604 Sb\n0.205782 0.205781 0.205782 Te\n0.996674 0.996671 0.996676 Se\n0.776947 0.776945 0.776949 Se\n",
"nsites": 5,
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"elements": [
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"Te",
"Se"
],
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"density": 5.937048257081384,
"density_atomic": 0.033791150305659774,
"volume": 147.96773577614894,
"volume_molar": 17.821650655649137,
"formula_full": "Sb2 Te1 Se2",
"formula_reduced": "Sb2TeSe2",
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"spacegroup": 160
},
{
"id": "jvasp-109369",
"created_at": "2022-09-04T14:38:28.462701Z",
"updated_at": "2022-09-04T14:38:28.462729Z",
"structure_string": "Sb3 Au1\n1.0\n3.074132 -0.000000 0.000000\n0.000000 3.074132 0.000000\n-0.000000 -0.000000 11.779252\nSb Au\n3 1\ndirect\n0.000000 0.000000 0.231919 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.768081 Sb\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
"Sb",
"Au"
],
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"density_atomic": 0.03593331254823096,
"volume": 111.31731856424477,
"volume_molar": 16.759214035491077,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
"formula_anonymous": "AB3",
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"spacegroup": 123
},
{
"id": "jvasp-18539",
"created_at": "2022-09-04T14:36:58.056898Z",
"updated_at": "2022-09-04T14:36:58.056923Z",
"structure_string": "Sb3 Au1\n1.0\n4.880925 0.000000 -1.725667\n-2.440462 4.227005 -1.725667\n0.000000 0.000000 5.177002\nSb Au\n3 1\ndirect\n0.499999 0.499999 -0.000001 Sb\n-0.000000 0.499999 0.499999 Sb\n0.500000 -0.000000 0.499999 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Au-Sb",
"density": 8.74103144789873,
"density_atomic": 0.0374495637233663,
"volume": 106.8103230667074,
"volume_molar": 16.08067000321967,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
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"spacegroup": 229
},
{
"id": "jvasp-13037",
"created_at": "2022-09-04T14:36:52.644588Z",
"updated_at": "2022-09-04T14:36:52.644601Z",
"structure_string": "Sb6 Cl2 O8\n1.0\n0.000000 5.644468 -0.074616\n5.445903 0.000000 0.000000\n0.000000 -0.719185 -9.464926\nSb Cl O\n6 2 8\ndirect\n0.296732 0.702534 0.206030 Sb\n0.750000 0.811763 0.500000 Sb\n0.250000 0.188236 0.500000 Sb\n0.203267 0.702534 0.793970 Sb\n0.703267 0.297465 0.793971 Sb\n0.796733 0.297465 0.206030 Sb\n0.750000 0.729310 0.000000 Cl\n0.250000 0.270689 0.000000 Cl\n0.902110 0.080930 0.378799 O\n0.597890 0.080930 0.621202 O\n0.097889 0.919069 0.621202 O\n0.402110 0.919069 0.378799 O\n0.530994 0.463688 0.299787 O\n0.469005 0.536312 0.700214 O\n0.969006 0.463688 0.700214 O\n0.030994 0.536312 0.299786 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.299491630245213,
"density_atomic": 0.05493812469384618,
"volume": 291.2367338558285,
"volume_molar": 10.961678786015357,
"formula_full": "Sb6 Cl2 O8",
"formula_reduced": "Sb3ClO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9462832959375,
"spacegroup": 13
},
{
"id": "jvasp-9081",
"created_at": "2022-09-04T14:38:11.313919Z",
"updated_at": "2022-09-04T14:38:11.313956Z",
"structure_string": "Sb12 Ir4\n1.0\n7.683611 0.000000 -2.716567\n-3.841805 6.654203 -2.716567\n-0.000000 -0.000000 8.149700\nSb Ir\n12 4\ndirect\n0.507013 0.846400 0.660613 Sb\n0.185787 0.846400 0.339386 Sb\n0.814212 0.153599 0.660613 Sb\n0.153599 0.339386 0.492986 Sb\n0.492986 0.153599 0.339386 Sb\n0.153599 0.660613 0.814211 Sb\n0.339386 0.185788 0.846400 Sb\n0.846400 0.660613 0.507013 Sb\n0.660613 0.814212 0.153599 Sb\n0.846400 0.339386 0.185787 Sb\n0.660613 0.507014 0.846400 Sb\n0.339386 0.492986 0.153599 Sb\n0.500000 -0.000000 -0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n-0.000000 0.500000 -0.000000 Ir\n0.499999 0.500000 0.499999 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 8.886865063302132,
"density_atomic": 0.03839873746034608,
"volume": 416.6803665491088,
"volume_molar": 15.683173870544556,
"formula_full": "Sb12 Ir4",
"formula_reduced": "Sb3Ir",
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"spacegroup": 204
},
{
"id": "jvasp-39188",
"created_at": "2022-09-04T14:37:47.809871Z",
"updated_at": "2022-09-04T14:37:47.809893Z",
"structure_string": "Sb3 Mo1\n1.0\n-0.000000 3.569732 3.569732\n3.569732 -0.000000 3.569732\n3.569732 3.569732 -0.000000\nSb Mo\n3 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.250001 0.250001 0.250001 Sb\n0.750001 0.750001 0.750001 Mo\n",
"nsites": 4,
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"elements": [
"Sb",
"Mo"
],
"chemical_system": "Mo-Sb",
"density": 8.418222418381928,
"density_atomic": 0.04396662796062872,
"volume": 90.9780937392316,
"volume_molar": 13.697072164353186,
"formula_full": "Sb3 Mo1",
"formula_reduced": "Sb3Mo",
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"spacegroup": 225
},
{
"id": "jvasp-29335",
"created_at": "2022-09-04T14:36:37.558569Z",
"updated_at": "2022-09-04T14:36:37.558595Z",
"structure_string": "Sb12 O8 F20\n1.0\n5.895274 0.000000 0.000000\n0.000000 8.488548 -2.748442\n0.000000 0.019192 13.232797\nSb O F\n12 8 20\ndirect\n0.032138 0.250000 0.000000 Sb\n0.967861 0.750000 0.000000 Sb\n0.445368 0.118503 0.206606 Sb\n0.445368 0.381497 0.793394 Sb\n0.554631 0.881497 0.793394 Sb\n0.554631 0.618503 0.206607 Sb\n0.398265 0.250000 0.500000 Sb\n0.601734 0.750000 0.500000 Sb\n0.039335 0.416183 0.359878 Sb\n0.039335 0.083816 0.640122 Sb\n0.960664 0.583817 0.640123 Sb\n0.960664 0.916184 0.359878 Sb\n0.823177 0.928971 0.506175 O\n0.176823 0.428971 0.506175 O\n0.176823 0.071029 0.493825 O\n0.823177 0.571029 0.493825 O\n0.736282 0.787358 0.661643 O\n0.263718 0.287358 0.661643 O\n0.263718 0.212642 0.338357 O\n0.736282 0.712642 0.338357 O\n0.762928 0.434744 0.151434 F\n0.762928 0.065256 0.848566 F\n0.873427 0.726145 0.150997 F\n0.873427 0.773855 0.849003 F\n0.126572 0.273855 0.849003 F\n0.126572 0.226145 0.150997 F\n0.556342 0.975698 0.292112 F\n0.556342 0.524302 0.707888 F\n0.443657 0.024302 0.707888 F\n0.738185 0.578794 0.956897 F\n0.738185 0.921206 0.043103 F\n0.261814 0.421206 0.043103 F\n0.261814 0.078794 0.956897 F\n0.202209 0.754121 0.357353 F\n0.202209 0.745879 0.642648 F\n0.797791 0.245879 0.642648 F\n0.797791 0.254121 0.357353 F\n0.237071 0.934744 0.151434 F\n0.443657 0.475698 0.292112 F\n0.237071 0.565256 0.848566 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.935375838163444,
"density_atomic": 0.060376376265202696,
"volume": 662.5107777966064,
"volume_molar": 9.974332897270614,
"formula_full": "Sb12 O8 F20",
"formula_reduced": "Sb3O2F5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.8536826712499997,
"spacegroup": 13
},
{
"id": "jvasp-52334",
"created_at": "2022-09-04T14:37:09.021180Z",
"updated_at": "2022-09-04T14:37:09.021201Z",
"structure_string": "Sb6 O8 F2\n1.0\n0.000000 5.504169 -0.263535\n5.134264 0.000000 0.000000\n0.000000 0.053430 -9.350769\nSb O F\n6 8 2\ndirect\n0.146049 0.720433 0.814976 Sb\n0.646049 0.279566 0.814977 Sb\n0.250000 0.197159 0.500000 Sb\n0.750000 0.802840 0.500000 Sb\n0.353951 0.720433 0.185024 Sb\n0.853951 0.279566 0.185024 Sb\n0.462103 0.574779 0.734236 O\n0.962103 0.425220 0.734236 O\n0.078822 0.904326 0.619579 O\n0.578822 0.095673 0.619579 O\n0.421178 0.904326 0.380422 O\n0.921179 0.095673 0.380422 O\n0.037897 0.574779 0.265764 O\n0.537897 0.425220 0.265765 O\n0.250000 0.415850 0.000000 F\n0.750000 0.584149 0.000000 F\n",
"nsites": 16,
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"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.635417942886425,
"density_atomic": 0.060564973120059616,
"volume": 264.17909850769286,
"volume_molar": 9.943273231645202,
"formula_full": "Sb6 O8 F2",
"formula_reduced": "Sb3O4F",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.8831640728125,
"spacegroup": 13
},
{
"id": "jvasp-52330",
"created_at": "2022-09-04T14:37:08.059161Z",
"updated_at": "2022-09-04T14:37:08.059194Z",
"structure_string": "Sb3 O7 F1\n1.0\n3.240422 5.485899 0.000000\n-3.240422 5.485899 0.000000\n0.000000 0.000000 3.828571\nSb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.304516 0.304516 0.000000 Sb\n0.695484 0.695484 0.000000 Sb\n0.043415 0.662912 0.000000 O\n0.337088 0.956586 0.000000 O\n0.000000 0.000000 0.500000 O\n0.321799 0.321799 0.500000 O\n0.678201 0.678201 0.500000 O\n0.662912 0.043415 0.000000 O\n0.956586 0.337088 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
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"elements": [
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],
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"density": 6.0541714747607145,
"density_atomic": 0.08081213942224877,
"volume": 136.11816341755627,
"volume_molar": 7.452024909938241,
"formula_full": "Sb3 O7 F1",
"formula_reduced": "Sb3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.2429457347727277,
"spacegroup": 65
},
{
"id": "jvasp-12185",
"created_at": "2022-09-04T14:36:59.983169Z",
"updated_at": "2022-09-04T14:36:59.983196Z",
"structure_string": "Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n",
"nsites": 8,
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"Pb"
],
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"density_atomic": 0.034381135183983336,
"volume": 232.68574342265606,
"volume_molar": 17.515828746705985,
"formula_full": "Sb6 Pb2",
"formula_reduced": "Sb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.31753228,
"spacegroup": 194
},
{
"id": "jvasp-20761",
"created_at": "2022-09-04T14:38:33.918384Z",
"updated_at": "2022-09-04T14:38:33.918413Z",
"structure_string": "Sb12 Rh4\n1.0\n7.664771 0.000000 -2.709905\n-3.832384 6.637886 -2.709905\n0.000000 0.000000 8.129717\nSb Rh\n12 4\ndirect\n0.493718 0.154615 0.339104 Sb\n0.154615 0.660896 0.815511 Sb\n0.339104 0.184489 0.845385 Sb\n0.845386 0.660896 0.506282 Sb\n0.660897 0.815511 0.154614 Sb\n0.845386 0.339104 0.184489 Sb\n0.660896 0.506283 0.845385 Sb\n0.339104 0.493718 0.154615 Sb\n0.154615 0.339104 0.493718 Sb\n0.815511 0.154615 0.660896 Sb\n0.184490 0.845386 0.339104 Sb\n0.506283 0.845386 0.660896 Sb\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n-0.000000 -0.000000 0.500000 Rh\n0.500000 -0.000000 -0.000000 Rh\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Rh-Sb",
"density": 7.5183518560908915,
"density_atomic": 0.038682593268038606,
"volume": 413.6227343687415,
"volume_molar": 15.56808954940407,
"formula_full": "Sb12 Rh4",
"formula_reduced": "Sb3Rh",
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"energy_above_hull": 1.840852825,
"spacegroup": 204
},
{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.181357830796882,
"density_atomic": 0.04722210762314819,
"volume": 465.8834835490409,
"volume_molar": 12.752799616779402,
"formula_full": "Sb8 Br4 O10",
"formula_reduced": "Sb4Br2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.898088191818182,
"spacegroup": 14
}
]
}