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{
"id": "jvasp-41752",
"created_at": "2022-09-04T14:37:45.025834Z",
"updated_at": "2022-09-04T14:37:45.025861Z",
"structure_string": "Li1 Hg2 Pd1\n1.0\n-0.000000 3.305539 3.305539\n3.305539 -0.000000 3.305539\n3.305539 3.305539 -0.000000\nLi Hg Pd\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n0.750000 0.750000 0.750000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:55.212770Z",
"updated_at": "2022-09-04T14:37:55.212784Z",
"structure_string": "K8 Mn2 Br12\n1.0\n8.883085 0.029062 0.029152\n0.029150 8.883085 0.029152\n0.029062 0.029062 8.883086\nK Mn Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.629463 0.870538 0.250000 K\n0.250000 0.629463 0.870537 K\n0.870538 0.250000 0.629463 K\n0.370537 0.129463 0.750000 K\n0.750000 0.370537 0.129463 K\n0.129463 0.750000 0.370537 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.442787 0.792637 0.568351 Br\n0.057213 0.931649 0.707363 Br\n0.931649 0.707363 0.057213 Br\n0.707363 0.057213 0.931649 Br\n0.207363 0.431649 0.557214 Br\n0.292637 0.942787 0.068351 Br\n0.557214 0.207363 0.431649 Br\n0.942787 0.068351 0.292637 Br\n0.068351 0.292637 0.942787 Br\n0.568351 0.442786 0.792637 Br\n0.431649 0.557214 0.207363 Br\n0.792637 0.568351 0.442786 Br\n",
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"formula_full": "K8 Mn2 Br12",
"formula_reduced": "K4MnBr6",
"formula_anonymous": "AB4C6",
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{
"id": "jvasp-40598",
"created_at": "2022-09-04T14:37:46.635710Z",
"updated_at": "2022-09-04T14:37:46.635741Z",
"structure_string": "Ac2 Cd6\n1.0\n3.594258 -6.225438 -0.000000\n3.594258 6.225438 -0.000000\n0.000000 -0.000000 5.038064\nAc Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Ac\n0.666667 0.333333 0.749999 Ac\n0.701608 0.850804 0.749999 Cd\n0.149196 0.298392 0.749999 Cd\n0.149196 0.850804 0.749999 Cd\n0.298392 0.149196 0.250000 Cd\n0.850804 0.701608 0.250000 Cd\n0.850804 0.149196 0.250000 Cd\n",
"nsites": 8,
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"volume": 225.46173056178316,
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"formula_full": "Ac2 Cd6",
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"spacegroup": 194
},
{
"id": "jvasp-19977",
"created_at": "2022-09-04T14:37:36.413870Z",
"updated_at": "2022-09-04T14:37:36.413890Z",
"structure_string": "Nd1 Mg3\n1.0\n4.523792 0.000000 2.611812\n1.507931 4.265072 2.611812\n0.000000 0.000000 5.223625\nNd Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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"elements": [
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"density": 3.577848474262242,
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"volume": 100.786180487985,
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"spacegroup": 225
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{
"id": "jvasp-51985",
"created_at": "2022-09-04T14:37:36.782249Z",
"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
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{
"id": "jvasp-42122",
"created_at": "2022-09-04T14:37:37.005412Z",
"updated_at": "2022-09-04T14:37:37.005435Z",
"structure_string": "Pm1 F3\n1.0\n-1.869997 1.869997 3.266156\n1.869997 -1.869997 3.266156\n1.869997 1.869997 -3.266156\nPm F\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750002 0.250000 0.500002 F\n0.250000 0.750002 0.500002 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 4,
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"elements": [
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"formula_anonymous": "AB3",
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"spacegroup": 139
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{
"id": "jvasp-41604",
"created_at": "2022-09-04T14:37:35.906927Z",
"updated_at": "2022-09-04T14:37:35.906956Z",
"structure_string": "Y1 Ag1 Hg2\n1.0\n0.000002 3.535252 3.535251\n3.535249 0.000003 3.535250\n3.535248 3.535250 0.000004\nY Ag Hg\n1 1 2\ndirect\n0.749999 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.500000 Hg\n",
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"formula_full": "Y1 Ag1 Hg2",
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"spacegroup": 225
},
{
"id": "jvasp-41327",
"created_at": "2022-09-04T14:37:37.224479Z",
"updated_at": "2022-09-04T14:37:37.224499Z",
"structure_string": "Na1 Sr2 Tl1\n1.0\n-0.000000 4.142714 4.142714\n4.142714 -0.000000 4.142714\n4.142714 4.142714 0.000000\nNa Sr Tl\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sr\n0.499998 0.499998 0.499998 Sr\n0.749998 0.749998 0.749998 Tl\n",
"nsites": 4,
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"volume": 142.19517225275416,
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"formula_full": "Na1 Sr2 Tl1",
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},
{
"id": "jvasp-41016",
"created_at": "2022-09-04T14:37:37.249142Z",
"updated_at": "2022-09-04T14:37:37.249172Z",
"structure_string": "Ca1 Sm1 Cd2\n1.0\n0.000000 3.781223 3.781223\n3.781223 -0.000000 3.781223\n3.781223 3.781223 -0.000000\nCa Sm Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Sm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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},
{
"id": "jvasp-38069",
"created_at": "2022-09-04T14:37:54.776143Z",
"updated_at": "2022-09-04T14:37:54.776161Z",
"structure_string": "Rb2 Tl1 In1 F6\n1.0\n0.000000 4.696658 4.696658\n4.696658 0.000000 4.696658\n4.696658 4.696658 -0.000000\nRb Tl In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n0.276875 0.723125 0.723125 F\n0.276875 0.723125 0.276875 F\n0.723125 0.276875 0.723125 F\n0.723125 0.723125 0.276875 F\n0.276875 0.276875 0.723125 F\n0.723125 0.276875 0.276875 F\n",
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{
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"created_at": "2022-09-04T14:37:54.751908Z",
"updated_at": "2022-09-04T14:37:54.751935Z",
"structure_string": "Rb2 Hg1 Au1\n1.0\n-0.000000 4.196130 4.196130\n4.196130 0.000000 4.196130\n4.196130 4.196130 0.000000\nRb Hg Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-20286",
"created_at": "2022-09-04T14:37:42.448473Z",
"updated_at": "2022-09-04T14:37:42.448502Z",
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