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{
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{
"id": "jvasp-7865",
"created_at": "2022-09-04T14:36:42.394082Z",
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{
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{
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"structure_string": "Ba4 Co1 Hg1\n1.0\n-0.000000 4.890561 4.890561\n4.890561 -0.000000 4.890561\n4.890561 4.890561 0.000000\nBa Co Hg\n4 1 1\ndirect\n0.126286 0.624571 0.624571 Ba\n0.624571 0.624571 0.624571 Ba\n0.624571 0.126286 0.624571 Ba\n0.624571 0.624571 0.126286 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Hg\n",
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"spacegroup": 216
},
{
"id": "jvasp-38466",
"created_at": "2022-09-04T14:38:05.854298Z",
"updated_at": "2022-09-04T14:38:05.854323Z",
"structure_string": "Li3 Ga1\n1.0\n0.000000 3.150509 3.150509\n3.150509 -0.000000 3.150509\n3.150509 3.150509 -0.000000\nLi Ga\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Li\n0.750001 0.750001 0.750001 Ga\n",
"nsites": 4,
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"elements": [
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"density": 2.404064954417635,
"density_atomic": 0.0639569613530764,
"volume": 62.54205821189464,
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"formula_full": "Li3 Ga1",
"formula_reduced": "Li3Ga",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-68201",
"created_at": "2022-09-04T14:36:18.958362Z",
"updated_at": "2022-09-04T14:36:18.958379Z",
"structure_string": "Ca1 Be1 Sn1\n1.0\n2.114753 -3.662859 0.000000\n2.114753 3.662859 -0.000000\n-0.000000 -0.000000 4.428320\nCa Be Sn\n1 1 1\ndirect\n0.666666 0.333332 0.333348 Ca\n0.000000 0.000000 0.833259 Be\n0.333332 0.666666 0.833392 Sn\n",
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"volume": 68.60390593988956,
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"formula_full": "Ca1 Be1 Sn1",
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{
"id": "jvasp-79425",
"created_at": "2022-09-04T14:36:41.977448Z",
"updated_at": "2022-09-04T14:36:41.977465Z",
"structure_string": "Li3 Ga1\n1.0\n-2.227109 2.227109 3.154031\n2.227109 -2.227109 3.154031\n2.227109 2.227109 -3.154031\nLi Ga\n3 1\ndirect\n0.749999 0.249999 0.500000 Li\n0.249999 0.749999 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-43910",
"created_at": "2022-09-04T14:37:01.922928Z",
"updated_at": "2022-09-04T14:37:01.922943Z",
"structure_string": "Li8 Mn4 F16\n1.0\n6.033606 0.000000 -0.000000\n0.000000 6.033606 0.000000\n0.000000 0.000000 8.453154\nLi Mn F\n8 4 16\ndirect\n0.000000 0.212548 0.000000 Li\n0.000000 0.787453 0.500000 Li\n0.250867 0.250867 0.625000 Li\n0.250867 0.749134 0.875000 Li\n0.212548 0.000000 0.250000 Li\n0.787453 0.000000 0.750000 Li\n0.749134 0.250867 0.375000 Li\n0.749134 0.749134 0.125000 Li\n0.777670 0.500000 0.750000 Mn\n0.500000 0.777670 0.500000 Mn\n0.500000 0.222331 0.000000 Mn\n0.222331 0.500000 0.250000 Mn\n0.759314 -0.001876 0.987007 F\n0.759314 0.001876 0.512992 F\n0.752898 0.478300 0.000844 F\n0.752898 0.521701 0.499155 F\n0.478300 0.752898 0.249156 F\n0.478300 0.247102 0.250844 F\n0.521701 0.752898 0.750844 F\n-0.001876 0.759314 0.262992 F\n0.247102 0.478300 -0.000844 F\n0.247102 0.521701 0.500844 F\n0.240687 0.001876 0.487007 F\n0.240687 -0.001876 0.012992 F\n0.001876 0.240687 0.762992 F\n-0.001876 0.240687 0.237008 F\n0.521701 0.247102 0.749155 F\n0.001876 0.759314 0.737007 F\n",
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"volume": 307.7320110012438,
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"formula_full": "Li8 Mn4 F16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 95
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{
"id": "jvasp-102510",
"created_at": "2022-09-04T14:36:45.697377Z",
"updated_at": "2022-09-04T14:36:45.697398Z",
"structure_string": "La1 Nd1 Mg2\n1.0\n4.780181 -0.000000 2.759839\n1.593394 4.506798 2.759839\n-0.000000 -0.000000 5.519677\nLa Nd Mg\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750001 Mg\n",
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"formula_full": "La1 Nd1 Mg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-65304",
"created_at": "2022-09-04T14:35:53.667118Z",
"updated_at": "2022-09-04T14:35:53.667132Z",
"structure_string": "Be1 Pb1 Br4\n1.0\n0.000000 4.491536 4.491536\n4.491536 0.000000 4.491536\n4.491536 4.491536 -0.000000\nBe Pb Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n0.124594 0.625136 0.625136 Br\n0.625136 0.625136 0.625136 Br\n0.625136 0.124594 0.625136 Br\n0.625136 0.625136 0.124594 Br\n",
"nsites": 6,
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"formula_full": "Be1 Pb1 Br4",
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{
"id": "jvasp-69055",
"created_at": "2022-09-04T14:36:08.661394Z",
"updated_at": "2022-09-04T14:36:08.661413Z",
"structure_string": "K1 Ba2 Si1\n1.0\n0.000000 4.195120 4.195120\n4.195120 0.000000 4.195120\n4.195120 4.195120 -0.000000\nK Ba Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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{
"id": "jvasp-44051",
"created_at": "2022-09-04T14:36:42.119686Z",
"updated_at": "2022-09-04T14:36:42.119719Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.092196 2.842701 -0.144208\n-5.092196 2.842701 0.144208\n-0.205903 0.000000 5.343688\nLi Mn F\n4 2 8\ndirect\n0.350695 0.944113 0.783695 Li\n0.055886 0.649305 0.283695 Li\n0.944114 0.350695 0.716306 Li\n0.649305 0.055886 0.216306 Li\n0.663671 0.663671 0.750000 Mn\n0.336329 0.336329 0.250000 Mn\n0.721225 0.019160 0.884923 F\n0.980840 0.278775 0.384923 F\n0.268261 0.500984 0.909525 F\n0.499016 0.731739 0.409525 F\n0.500984 0.268260 0.590476 F\n0.731739 0.499015 0.090476 F\n0.019160 0.721225 0.615078 F\n0.278775 0.980839 0.115077 F\n",
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{
"id": "jvasp-69747",
"created_at": "2022-09-04T14:36:13.137239Z",
"updated_at": "2022-09-04T14:36:13.137265Z",
"structure_string": "Be1 Zn2 Pd2\n1.0\n-1.657506 1.657506 6.747472\n1.657506 -1.657506 6.747472\n1.657506 1.657506 -6.747472\nBe Zn Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.750001 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Zn\n0.595512 0.595512 0.000000 Pd\n0.404488 0.404488 0.000000 Pd\n",
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