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{
"id": "jvasp-103234",
"created_at": "2022-09-04T14:36:58.024875Z",
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"structure_string": "Ca1 Ce1 Cd2\n1.0\n4.660358 0.000000 2.690659\n1.553452 4.393828 2.690659\n-0.000000 -0.000000 5.381318\nCa Ce Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
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"structure_string": "Rb3 Au1 Br6\n1.0\n7.058644 -0.000000 4.075310\n2.352881 6.654954 4.075310\n-0.000000 -0.000000 8.150620\nRb Au Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.771022 0.228977 0.228977 Br\n0.228977 0.228977 0.771023 Br\n0.228977 0.771022 0.771023 Br\n0.228977 0.771022 0.228977 Br\n0.771022 0.228977 0.771023 Br\n0.771022 0.771022 0.228978 Br\n",
"nsites": 10,
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{
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"updated_at": "2022-09-04T14:36:14.876718Z",
"structure_string": "Ca2 In1 Pb1\n1.0\n4.741902 0.000000 2.737738\n1.580634 4.470708 2.737738\n-0.000000 -0.000000 5.475476\nCa In Pb\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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{
"id": "jvasp-93832",
"created_at": "2022-09-04T14:35:46.567895Z",
"updated_at": "2022-09-04T14:35:46.567924Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n-1.968600 -3.409615 0.000000\n-1.968600 3.409615 0.000000\n0.000000 0.000000 -9.191588\nCa Cl O\n2 2 2\ndirect\n0.333332 0.666668 0.812242 Ca\n0.666668 0.333332 0.312242 Ca\n0.333322 0.666678 0.506190 Cl\n0.666678 0.333322 0.006189 Cl\n0.000007 0.999993 0.264569 O\n0.999993 0.000007 0.764569 O\n",
"nsites": 6,
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"elements": [
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"O"
],
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"density_atomic": 0.04862592562678002,
"volume": 123.39096732167064,
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"spacegroup": 186
},
{
"id": "jvasp-65131",
"created_at": "2022-09-04T14:35:41.890638Z",
"updated_at": "2022-09-04T14:35:41.890657Z",
"structure_string": "Be1 Zn1 Cd4\n1.0\n0.000000 4.016365 4.016365\n4.016365 -0.000000 4.016365\n4.016365 4.016365 -0.000000\nBe Zn Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124247 0.625252 0.625252 Cd\n0.625252 0.625252 0.625252 Cd\n0.625252 0.124247 0.625252 Cd\n0.625252 0.625252 0.124247 Cd\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
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"elements": [
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"density": 2.287126172274002,
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"formula_full": "Rb1 Mg6 Ga1",
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"spacegroup": 38
},
{
"id": "jvasp-94803",
"created_at": "2022-09-04T14:35:58.412089Z",
"updated_at": "2022-09-04T14:35:58.412121Z",
"structure_string": "Ba1 Mg6 Fe1\n1.0\n7.919457 -0.994347 0.000000\n-4.820858 6.361277 0.000000\n0.000000 0.000000 4.682530\nBa Mg Fe\n1 6 1\ndirect\n0.279797 0.220203 0.750000 Ba\n0.208070 0.804244 0.250000 Mg\n0.695757 0.291930 0.250000 Mg\n0.682601 0.817399 0.250000 Mg\n0.320517 0.673235 0.750000 Mg\n0.826765 0.179483 0.750000 Mg\n0.880336 0.619664 0.750000 Mg\n0.106159 0.393841 0.250000 Fe\n",
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"volume": 213.44963677428032,
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"formula_full": "Ba1 Mg6 Fe1",
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"spacegroup": 38
},
{
"id": "jvasp-90807",
"created_at": "2022-09-04T14:36:07.027206Z",
"updated_at": "2022-09-04T14:36:07.027233Z",
"structure_string": "Na1 As1 F6\n1.0\n-2.546121 -4.410010 0.000000\n2.546120 -4.410010 0.000000\n-0.000000 -2.940007 4.765009\nNa As F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.359799 0.792317 0.784508 F\n0.792317 0.063378 0.784508 F\n0.063377 0.359799 0.784508 F\n0.640202 0.207683 0.215492 F\n0.207683 0.936623 0.215492 F\n0.936623 0.640202 0.215492 F\n",
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],
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"density": 3.2883002909520496,
"density_atomic": 0.07476145383067247,
"volume": 107.00701484643723,
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"formula_full": "Na1 As1 F6",
"formula_reduced": "NaAsF6",
"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-94242",
"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
"nsites": 8,
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],
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"volume": 208.43469730104638,
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"formula_full": "Ba1 Mg6 Co1",
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"spacegroup": 38
},
{
"id": "jvasp-63992",
"created_at": "2022-09-04T14:36:11.520624Z",
"updated_at": "2022-09-04T14:36:11.520651Z",
"structure_string": "Ba1 Ca1 Te1\n1.0\n0.000000 4.130458 4.130458\n4.130458 -0.000000 4.130458\n4.130458 4.130458 -0.000000\nBa Ca Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
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],
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},
{
"id": "jvasp-101547",
"created_at": "2022-09-04T14:36:39.149753Z",
"updated_at": "2022-09-04T14:36:39.149770Z",
"structure_string": "Cd2 Ag1 Pt1\n1.0\n4.070857 -0.000000 2.350310\n1.356952 3.838041 2.350310\n-0.000000 -0.000000 4.700621\nCd Ag Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-102301",
"created_at": "2022-09-04T14:37:04.375033Z",
"updated_at": "2022-09-04T14:37:04.375058Z",
"structure_string": "Tl3 Ga1 F6\n1.0\n5.536738 -0.000000 3.196637\n1.845579 5.220087 3.196637\n-0.000000 -0.000000 6.393274\nTl Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.787781 0.212219 0.212219 F\n0.212219 0.787782 0.787781 F\n0.212219 0.787782 0.212219 F\n0.787781 0.212219 0.787781 F\n0.212219 0.212219 0.787781 F\n0.787781 0.787782 0.212219 F\n",
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}