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{
"id": "jvasp-55805",
"created_at": "2022-09-04T14:38:34.560258Z",
"updated_at": "2022-09-04T14:38:34.560284Z",
"structure_string": "Li4 Mn4 As4 O16\n1.0\n4.955989 0.000000 0.000000\n0.000000 6.166788 0.000000\n0.000000 0.000000 10.747710\nLi Mn As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.014795 0.750000 0.276316 Mn\n0.985205 0.250000 0.723684 Mn\n0.485205 0.750000 0.776316 Mn\n0.514796 0.250000 0.223684 Mn\n0.570565 0.750000 0.089651 As\n0.929436 0.750000 0.589651 As\n0.429435 0.250000 0.910349 As\n0.070565 0.250000 0.410349 As\n0.282767 0.250000 0.056276 O\n0.717233 0.750000 0.943724 O\n0.274322 0.750000 0.592576 O\n0.724182 0.967626 0.164881 O\n0.725679 0.250000 0.407424 O\n0.225679 0.750000 0.092576 O\n0.224182 0.032374 0.335119 O\n0.224182 0.467626 0.335119 O\n0.775819 0.532374 0.664881 O\n0.275819 0.032374 0.835119 O\n0.775819 0.967626 0.664881 O\n0.724182 0.532374 0.164881 O\n0.217233 0.250000 0.556276 O\n0.774322 0.250000 0.907424 O\n0.275819 0.467626 0.835119 O\n0.782767 0.750000 0.443724 O\n",
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{
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"structure_string": "Li2 Mn2 As2\n1.0\n3.893370 -0.000000 -0.000000\n0.000000 3.893370 0.000000\n0.000000 0.000000 6.136515\nLi Mn As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.768582 As\n0.500000 0.000000 0.231419 As\n",
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{
"id": "jvasp-106041",
"created_at": "2022-09-04T14:35:55.991448Z",
"updated_at": "2022-09-04T14:35:55.991471Z",
"structure_string": "Li3 Mn1 As2\n1.0\n4.200725 0.000000 0.000000\n0.000000 4.200725 0.000000\n0.000000 0.000000 5.989156\nLi Mn As\n3 1 2\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.499999 0.265910 As\n0.499999 0.000000 0.734091 As\n",
"nsites": 6,
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],
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"volume": 105.68518894809014,
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"formula_full": "Li3 Mn1 As2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 115
},
{
"id": "jvasp-93492",
"created_at": "2022-09-04T14:36:10.493147Z",
"updated_at": "2022-09-04T14:36:10.493157Z",
"structure_string": "Li2 Mn2 As2\n1.0\n3.892865 0.000000 -0.000000\n0.000000 3.892865 0.000000\n0.000000 0.000000 6.136605\nLi Mn As\n2 2 2\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.499999 0.768513 As\n0.499999 0.000000 0.231486 As\n",
"nsites": 6,
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"elements": [
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"density": 4.885402859511813,
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"formula_full": "Li2 Mn2 As2",
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},
{
"id": "jvasp-36265",
"created_at": "2022-09-04T14:36:44.889224Z",
"updated_at": "2022-09-04T14:36:44.889244Z",
"structure_string": "Li1 Mn1 As1\n1.0\n2.789517 2.789517 -0.000000\n2.789517 -0.000000 -2.789517\n0.000000 2.789517 -2.789517\nLi Mn As\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.750001 0.750001 0.750001 As\n",
"nsites": 3,
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{
"id": "jvasp-63423",
"created_at": "2022-09-04T14:35:44.314190Z",
"updated_at": "2022-09-04T14:35:44.314219Z",
"structure_string": "Li4 Mg4 As4 O16\n1.0\n4.915941 0.000000 0.000000\n0.000000 5.986967 0.000000\n0.000000 0.000000 10.480361\nLi Mg As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.992674 0.750000 0.726331 Mg\n0.492674 0.250000 0.773669 Mg\n0.007326 0.250000 0.273669 Mg\n0.507326 0.750000 0.226331 Mg\n0.065553 0.750000 0.406794 As\n0.565553 0.250000 0.093206 As\n0.934447 0.250000 0.593206 As\n0.434447 0.750000 0.906794 As\n0.224218 0.970949 0.329571 O\n0.724218 0.029052 0.170429 O\n0.224218 0.529052 0.329571 O\n0.724218 0.470949 0.170429 O\n0.775781 0.029052 0.670429 O\n0.275781 0.970949 0.829571 O\n0.293211 0.750000 0.057012 O\n0.281429 0.250000 0.596295 O\n0.706789 0.250000 0.942987 O\n0.206789 0.750000 0.557012 O\n0.718571 0.750000 0.403705 O\n0.218571 0.250000 0.096295 O\n0.275781 0.529052 0.829571 O\n0.781429 0.750000 0.903705 O\n0.793211 0.250000 0.442987 O\n0.775781 0.470949 0.670429 O\n",
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"volume": 308.45354694825585,
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"formula_full": "Li4 Mg4 As4 O16",
"formula_reduced": "LiMgAsO4",
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"spacegroup": 62
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{
"id": "jvasp-1765",
"created_at": "2022-09-04T14:35:43.140730Z",
"updated_at": "2022-09-04T14:35:43.140764Z",
"structure_string": "Li1 Mg1 As1\n1.0\n3.783959 -0.000000 2.184670\n1.261320 3.567551 2.184670\n-0.000000 -0.000000 4.369339\nLi Mg As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 As\n",
"nsites": 3,
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"elements": [
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],
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},
{
"id": "jvasp-115413",
"created_at": "2022-09-04T14:38:46.262919Z",
"updated_at": "2022-09-04T14:38:46.262932Z",
"structure_string": "Li1 Mg1 As1\n1.0\n4.703080 -0.551016 0.000000\n-1.637710 4.444905 0.000000\n0.000000 0.000000 3.091127\nLi Mg As\n1 1 1\ndirect\n0.107845 0.420439 0.000000 Li\n-0.226279 -0.245216 0.000000 Mg\n0.435589 0.093034 0.000000 As\n",
"nsites": 3,
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},
{
"id": "jvasp-61273",
"created_at": "2022-09-04T14:36:05.090693Z",
"updated_at": "2022-09-04T14:36:05.090719Z",
"structure_string": "Li6 As2\n1.0\n2.171073 -3.760409 -0.000000\n2.171073 3.760409 0.000000\n-0.000000 0.000000 7.745030\nLi As\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333332 0.666666 0.584511 Li\n0.666666 0.333332 0.084511 Li\n0.666666 0.333332 0.415489 Li\n0.333332 0.666666 0.915489 Li\n0.333332 0.666666 0.250000 As\n0.666666 0.333332 0.750000 As\n",
"nsites": 8,
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},
{
"id": "jvasp-62288",
"created_at": "2022-09-04T14:36:07.934651Z",
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"structure_string": "Li6 As2\n1.0\n2.171072 -3.760406 0.000000\n2.171072 3.760406 -0.000000\n0.000000 0.000000 7.745072\nLi As\n6 2\ndirect\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.666667 0.333332 0.415461 Li\n0.333332 0.666667 0.915461 Li\n0.333332 0.666667 0.584538 Li\n0.666667 0.333332 0.084539 Li\n0.666667 0.333332 0.750000 As\n0.333332 0.666667 0.250000 As\n",
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{
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"created_at": "2022-09-04T14:36:44.102236Z",
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"structure_string": "Li2 As6\n1.0\n4.164374 0.000000 0.000000\n-2.082188 3.606454 0.000000\n0.000000 -0.000000 10.177727\nLi As\n2 6\ndirect\n0.333332 0.666666 0.250000 Li\n0.666666 0.333333 0.750000 Li\n0.333332 0.666666 0.569305 As\n0.666666 0.333333 0.430696 As\n0.666666 0.333333 0.069304 As\n0.333332 0.666666 0.930696 As\n0.000000 0.000000 0.250000 As\n0.000000 0.000000 0.750000 As\n",
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{
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"structure_string": "Li6 As2\n1.0\n4.341509 -0.000000 -0.000000\n-2.170754 3.759856 -0.000000\n-0.000000 0.000000 7.743668\nLi As\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333334 0.666668 0.584517 Li\n0.666668 0.333333 0.084516 Li\n0.666668 0.333333 0.415484 Li\n0.333334 0.666668 0.915484 Li\n0.333334 0.666668 0.250000 As\n0.666668 0.333333 0.750000 As\n",
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]
}