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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3831",
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"results": [
{
"id": "jvasp-86831",
"created_at": "2022-09-04T14:36:17.440713Z",
"updated_at": "2022-09-04T14:36:17.440735Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.457071 0.021304 -3.006107\n-3.881908 5.970305 -0.130952\n0.013797 -0.005308 8.348496\nTl P Au Se\n2 2 2 6\ndirect\n0.943195 0.285592 0.228788 Tl\n0.056804 0.714407 0.771212 Tl\n0.621676 0.030827 0.652504 P\n0.378324 0.969173 0.347497 P\n0.760275 0.760275 -0.000000 Au\n0.239725 0.239725 -0.000000 Au\n0.422825 0.764265 0.187090 Se\n0.518455 0.322601 0.327319 Se\n0.577175 0.235735 0.812910 Se\n0.481545 0.677398 0.672682 Se\n0.004717 0.808864 0.327319 Se\n0.995283 0.191136 0.672681 Se\n",
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{
"id": "jvasp-37769",
"created_at": "2022-09-04T14:37:48.528457Z",
"updated_at": "2022-09-04T14:37:48.528479Z",
"structure_string": "Pm1 Sm1 Hg2\n1.0\n-0.000000 3.774753 3.774753\n3.774753 -0.000000 3.774753\n3.774753 3.774753 0.000000\nPm Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pm\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"elements": [
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},
{
"id": "jvasp-85134",
"created_at": "2022-09-04T14:37:13.850854Z",
"updated_at": "2022-09-04T14:37:13.850876Z",
"structure_string": "Eu1 Tl1 S2\n1.0\n-2.039531 -3.532570 -0.000000\n2.039531 -3.532570 -0.000000\n-0.000000 -2.355046 7.465484\nEu Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Tl\n0.265914 0.265914 0.202260 S\n0.734087 0.734087 0.797740 S\n",
"nsites": 4,
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"elements": [
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"Tl",
"S"
],
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"density": 6.49056644768436,
"density_atomic": 0.037183557612832895,
"volume": 107.574429581195,
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"formula_full": "Eu1 Tl1 S2",
"formula_reduced": "EuTlS2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-100388",
"created_at": "2022-09-04T14:36:58.163684Z",
"updated_at": "2022-09-04T14:36:58.163694Z",
"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n5.523892 0.000161 -4.653176\n-1.195025 5.393079 -4.653176\n-0.000129 -0.000161 7.222563\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.499999 0.500000 -0.000001 In\n0.749999 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.104811 0.134475 0.501520 Se\n0.632954 0.603291 0.498478 Se\n0.396708 0.895189 0.029662 Se\n0.865524 0.367046 0.970335 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-In-Se",
"density": 5.526802089401306,
"density_atomic": 0.037181814207043404,
"volume": 215.15894720609273,
"volume_molar": 16.196468323106238,
"formula_full": "In1 Ga1 Ag2 Se4",
"formula_reduced": "InGa(AgSe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.5454600352083333,
"spacegroup": 82
},
{
"id": "jvasp-53292",
"created_at": "2022-09-04T14:38:34.804381Z",
"updated_at": "2022-09-04T14:38:34.804402Z",
"structure_string": "Ag2 Hg7 P8 I6\n1.0\n8.403794 0.003253 1.383295\n1.196005 8.474076 1.507388\n0.017036 0.000602 8.689782\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 -0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.235012 0.730640 0.366275 Hg\n0.869263 0.728879 0.728878 Hg\n0.764989 0.269360 0.633724 Hg\n0.130737 0.271121 0.271121 Hg\n0.764989 0.633724 0.269360 Hg\n0.000000 0.000000 0.000000 Hg\n0.235012 0.366276 0.730639 Hg\n0.741378 0.915239 0.915238 P\n0.577890 0.078273 0.761549 P\n0.422111 0.238450 0.921726 P\n0.577890 0.761550 0.078273 P\n0.065596 0.562140 0.562139 P\n0.934404 0.437860 0.437860 P\n0.422111 0.921727 0.238450 P\n0.258622 0.084761 0.084761 P\n0.150767 0.034763 0.639181 I\n0.849234 0.360818 0.965236 I\n0.533756 0.646466 0.646466 I\n0.150767 0.639182 0.034763 I\n0.849234 0.965237 0.360818 I\n0.466245 0.353534 0.353534 I\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Hg",
"P",
"I"
],
"chemical_system": "Ag-Hg-I-P",
"density": 7.057409413708405,
"density_atomic": 0.03718088319475432,
"volume": 618.5974625596027,
"volume_molar": 16.19687388396851,
"formula_full": "Ag2 Hg7 P8 I6",
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"formula_anonymous": "A2B6C7D8",
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"spacegroup": 12
},
{
"id": "jvasp-86229",
"created_at": "2022-09-04T14:36:17.648647Z",
"updated_at": "2022-09-04T14:36:17.648671Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.458711 0.021447 -3.005196\n-3.883328 5.970670 -0.132130\n0.014311 -0.006659 8.347047\nTl P Au Se\n2 2 2 6\ndirect\n0.943249 0.285504 0.228752 Tl\n0.056750 0.714497 0.771248 Tl\n0.621613 0.030925 0.652539 P\n0.378386 0.969075 0.347461 P\n0.760394 0.760394 -0.000000 Au\n0.239606 0.239606 -0.000000 Au\n0.422924 0.764141 0.187065 Se\n0.518538 0.322455 0.327267 Se\n0.577075 0.235860 0.812935 Se\n0.481461 0.677545 0.672733 Se\n0.004812 0.808730 0.327267 Se\n0.995188 0.191271 0.672733 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Tl",
"P",
"Au",
"Se"
],
"chemical_system": "Au-P-Se-Tl",
"density": 6.88597327248989,
"density_atomic": 0.03717998385833251,
"volume": 322.75430903154216,
"volume_molar": 16.197265665704048,
"formula_full": "Tl2 P2 Au2 Se6",
"formula_reduced": "TlPAuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2505059616666665,
"spacegroup": 12
},
{
"id": "jvasp-99479",
"created_at": "2022-09-04T14:36:13.939960Z",
"updated_at": "2022-09-04T14:36:13.939981Z",
"structure_string": "K2 Cu1 Sb1 Cl6\n1.0\n6.274799 -0.000000 3.622757\n2.091600 5.915937 3.622757\n-0.000000 -0.000000 7.245513\nK Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740962 0.259038 0.259038 Cl\n0.259038 0.259038 0.740962 Cl\n0.259038 0.740962 0.740962 Cl\n0.259038 0.740962 0.259038 Cl\n0.740962 0.259038 0.740962 Cl\n0.740962 0.740962 0.259039 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cu-K-Sb",
"density": 2.940118103386089,
"density_atomic": 0.03717983866244763,
"volume": 268.9629745515867,
"volume_molar": 16.19732891977953,
"formula_full": "K2 Cu1 Sb1 Cl6",
"formula_reduced": "K2CuSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36871",
"created_at": "2022-09-04T14:38:03.301263Z",
"updated_at": "2022-09-04T14:38:03.301289Z",
"structure_string": "Ba1 C1\n1.0\n-2.996266 -2.996266 0.000000\n-2.996266 0.000000 -2.996266\n-0.000000 -2.996266 -2.996266\nBa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
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"elements": [
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"C"
],
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"density": 4.609432521380627,
"density_atomic": 0.03717567831440907,
"volume": 53.798614865483486,
"volume_molar": 16.1991415706485,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 2.5252629850000003,
"spacegroup": 225
},
{
"id": "jvasp-118800",
"created_at": "2022-09-04T14:38:49.205888Z",
"updated_at": "2022-09-04T14:38:49.205914Z",
"structure_string": "Na1 Se3\n1.0\n4.152559 0.444549 -0.355478\n2.135309 -7.036819 -0.366538\n-0.730278 2.725198 -3.433161\nNa Se\n1 3\ndirect\n0.435305 0.412251 0.003653 Na\n0.109948 -0.012405 0.103929 Se\n0.434781 0.911165 0.490213 Se\n0.936199 0.397361 0.488911 Se\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.010304963754417,
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"volume": 107.60376281054177,
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"formula_full": "Na1 Se3",
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"formula_anonymous": "AB3",
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"spacegroup": 1
},
{
"id": "jvasp-29655",
"created_at": "2022-09-04T14:38:33.810453Z",
"updated_at": "2022-09-04T14:38:33.810479Z",
"structure_string": "Ti2 Br6\n1.0\n5.721277 0.040831 4.375675\n2.185106 5.287719 4.375676\n0.060583 0.040829 7.202490\nTi Br\n2 6\ndirect\n0.333368 0.333368 0.333368 Ti\n0.666633 0.666632 0.666632 Ti\n0.740778 0.421471 0.080647 Br\n0.919353 0.259223 0.578530 Br\n0.259223 0.578529 0.919353 Br\n0.421471 0.080647 0.740777 Br\n0.578530 0.919353 0.259223 Br\n0.080648 0.740777 0.421471 Br\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.437489000944754,
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"volume": 215.22810045595276,
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"formula_full": "Ti2 Br6",
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"spacegroup": 148
},
{
"id": "jvasp-17650",
"created_at": "2022-09-04T14:38:16.211997Z",
"updated_at": "2022-09-04T14:38:16.212021Z",
"structure_string": "Pu3 Pb1\n1.0\n4.756602 0.000000 -0.000000\n-0.000000 4.756602 0.000000\n-0.000000 -0.000000 4.756602\nPu Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.000000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Pb\n",
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"formula_full": "Pu3 Pb1",
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"spacegroup": 221
},
{
"id": "jvasp-80480",
"created_at": "2022-09-04T14:37:19.530192Z",
"updated_at": "2022-09-04T14:37:19.530217Z",
"structure_string": "Y2 Mg2\n1.0\n5.275459 0.000000 0.000000\n0.000000 5.321605 0.000000\n0.000000 0.000000 3.833587\nY Mg\n2 2\ndirect\n0.500000 0.000000 0.500006 Y\n0.000000 0.500000 0.499995 Y\n0.000000 0.000000 0.000013 Mg\n0.500000 0.500000 -0.000013 Mg\n",
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"formula_full": "Y2 Mg2",
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}
]
}