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"results": [
{
"id": "jvasp-119142",
"created_at": "2022-09-04T14:38:35.432877Z",
"updated_at": "2022-09-04T14:38:35.432902Z",
"structure_string": "Sr2 La2 Ga6 O14\n1.0\n8.089927 0.014992 0.000000\n-0.001758 8.089940 0.000000\n-0.000000 -0.000000 5.363498\nSr La Ga O\n2 2 6 14\ndirect\n0.161691 0.838309 0.491631 Sr\n0.838309 0.161691 0.491631 Sr\n0.663457 0.663457 0.506860 La\n0.336543 0.336543 0.506860 La\n0.500000 -0.000000 0.000665 Ga\n-0.000000 0.500000 0.000665 Ga\n0.356301 0.643699 0.032576 Ga\n0.855771 0.855770 0.966317 Ga\n0.643699 0.356301 0.032576 Ga\n0.144229 0.144229 0.966317 Ga\n0.165513 0.580606 0.206714 O\n0.659763 0.908518 0.791362 O\n0.834487 0.419394 0.206714 O\n0.340237 0.091481 0.791362 O\n0.091481 0.340237 0.791362 O\n0.580606 0.165513 0.206714 O\n0.851886 0.851886 0.304888 O\n0.419394 0.834486 0.206714 O\n0.148114 0.148114 0.304888 O\n0.631355 0.368645 0.693219 O\n0.000000 0.000000 0.815079 O\n0.368645 0.631355 0.693219 O\n0.908519 0.659763 0.791362 O\n0.500000 0.500000 0.200312 O\n",
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{
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"structure_string": "La3 Ga5 Sn1 O14\n1.0\n8.315061 -0.000000 0.000000\n-4.157531 7.201054 0.000000\n0.000000 0.000000 5.213275\nLa Ga Sn O\n3 5 1 14\ndirect\n0.428419 0.000000 0.000000 La\n0.571581 0.571581 0.000000 La\n-0.000000 0.428419 0.000000 La\n0.756253 0.000000 0.500000 Ga\n-0.000000 0.756253 0.500000 Ga\n0.243747 0.243747 0.500000 Ga\n0.333333 0.666666 0.470214 Ga\n0.666667 0.333333 0.529785 Ga\n0.000000 0.000000 0.000000 Sn\n0.854118 0.541635 0.698941 O\n0.687517 0.145882 0.698941 O\n0.080949 0.227845 0.757757 O\n0.333333 0.666666 0.820499 O\n0.145882 0.687517 0.301058 O\n0.541635 0.854118 0.301058 O\n0.312483 0.458365 0.301058 O\n0.227845 0.080949 0.242243 O\n0.919051 0.146896 0.242243 O\n0.853104 0.772154 0.242243 O\n0.146896 0.919050 0.757757 O\n0.772154 0.853103 0.757757 O\n0.666667 0.333333 0.179500 O\n0.458365 0.312483 0.698941 O\n",
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],
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"formula_full": "La3 Ga5 Sn1 O14",
"formula_reduced": "La3Ga5SnO14",
"formula_anonymous": "AB3C5D14",
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},
{
"id": "jvasp-87241",
"created_at": "2022-09-04T14:35:54.819664Z",
"updated_at": "2022-09-04T14:35:54.819674Z",
"structure_string": "La4 Ga4 Se8 O4\n1.0\n5.975884 0.000000 0.000000\n0.000000 5.981657 0.000000\n0.000000 0.000000 12.333999\nLa Ga Se O\n4 4 8 4\ndirect\n0.754210 0.497416 0.095872 La\n0.254210 0.002584 0.095872 La\n0.254210 0.502584 0.904128 La\n0.754210 0.997417 0.904128 La\n0.658485 0.077206 0.397922 Ga\n0.158485 0.922795 0.602078 Ga\n0.658485 0.577206 0.602078 Ga\n0.158485 0.422795 0.397922 Ga\n0.255319 0.006748 0.781401 Se\n0.755319 0.493252 0.781401 Se\n0.750341 0.979021 0.587373 Se\n0.250342 0.520980 0.587373 Se\n0.250342 0.020980 0.412627 Se\n0.255319 0.506749 0.218599 Se\n0.755319 0.993252 0.218599 Se\n0.750341 0.479020 0.412627 Se\n0.500942 0.749394 0.001407 O\n0.000942 0.250607 0.998593 O\n0.000942 0.750607 0.001407 O\n0.500942 0.249394 0.998593 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.04536306830307027,
"volume": 440.8872844839368,
"volume_molar": 13.275426432282156,
"formula_full": "La4 Ga4 Se8 O4",
"formula_reduced": "LaGaSe2O",
"formula_anonymous": "ABCD2",
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"spacegroup": 29
},
{
"id": "jvasp-97488",
"created_at": "2022-09-04T14:36:12.104361Z",
"updated_at": "2022-09-04T14:36:12.104387Z",
"structure_string": "La4 Ga4 O12\n1.0\n5.551397 0.000000 0.000000\n-0.000000 5.554709 0.000000\n0.000000 0.000000 7.847768\nLa Ga O\n4 4 12\ndirect\n0.506437 0.529951 0.250000 La\n0.993564 0.029951 0.250000 La\n0.493563 0.470049 0.750000 La\n0.006437 0.970049 0.750000 La\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.926667 0.512372 0.750000 O\n0.426667 0.987628 0.250000 O\n0.718180 0.282433 0.460686 O\n0.718180 0.282433 0.039315 O\n0.218179 0.217567 0.960686 O\n0.781821 0.782433 0.460686 O\n0.281821 0.717567 0.539315 O\n0.281821 0.717567 0.960686 O\n0.781821 0.782433 0.039315 O\n0.218179 0.217567 0.539315 O\n0.073334 0.487628 0.250000 O\n0.573334 0.012372 0.750000 O\n",
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"volume": 241.9968729626443,
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"formula_full": "La4 Ga4 O12",
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},
{
"id": "jvasp-9400",
"created_at": "2022-09-04T14:37:07.384185Z",
"updated_at": "2022-09-04T14:37:07.384203Z",
"structure_string": "La2 Ga2 O6\n1.0\n4.799568 -0.020654 2.705411\n1.571046 4.535207 2.705411\n-0.029145 -0.020654 5.509470\nLa Ga O\n2 2 6\ndirect\n0.745275 0.745276 0.745273 La\n0.245275 0.245275 0.245274 La\n0.495184 0.495184 0.495182 Ga\n0.995184 0.995185 0.995181 Ga\n0.678692 0.245047 0.811605 O\n0.245046 0.811608 0.678690 O\n0.811607 0.678692 0.245044 O\n0.311607 0.745046 0.178690 O\n0.178692 0.311607 0.745045 O\n0.745046 0.178692 0.311605 O\n",
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"volume": 120.64322430191825,
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"formula_full": "La2 Ga2 O6",
"formula_reduced": "LaGaO3",
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"spacegroup": 167
},
{
"id": "jvasp-93262",
"created_at": "2022-09-04T14:35:55.665023Z",
"updated_at": "2022-09-04T14:35:55.665054Z",
"structure_string": "La1 Ga1 O3\n1.0\n0.000000 3.904170 0.000000\n2.760298 0.000000 2.760381\n2.760298 0.000000 -2.760381\nLa Ga O\n1 1 3\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-89391",
"created_at": "2022-09-04T14:36:03.871328Z",
"updated_at": "2022-09-04T14:36:03.871356Z",
"structure_string": "La4 Ga4 O12\n1.0\n5.520754 -0.000000 0.000000\n0.000000 5.589182 0.000000\n0.000000 0.000000 7.821904\nLa Ga O\n4 4 12\ndirect\n0.999782 0.992601 0.750000 La\n0.500217 0.492601 0.250000 La\n0.000217 0.007398 0.250000 La\n0.499782 0.507398 0.750000 La\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.749500 0.749494 0.543256 O\n0.750499 0.249494 0.456744 O\n0.499744 0.921380 0.250000 O\n0.999743 0.578620 0.250000 O\n0.500256 0.078620 0.750000 O\n0.249501 0.750505 0.543256 O\n0.750499 0.249494 0.043256 O\n0.749500 0.749494 0.956744 O\n0.250499 0.250506 0.456744 O\n0.249501 0.750505 0.956744 O\n0.250499 0.250506 0.043256 O\n0.000256 0.421380 0.750000 O\n",
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},
{
"id": "jvasp-107553",
"created_at": "2022-09-04T14:37:01.241793Z",
"updated_at": "2022-09-04T14:37:01.241806Z",
"structure_string": "La2 Ga1 Ni1 O6\n1.0\n4.777341 0.002190 2.622395\n1.555964 4.517403 2.621588\n0.005132 0.003856 5.449107\nLa Ga Ni O\n2 1 1 6\ndirect\n0.249126 0.249121 0.249170 La\n0.750873 0.750879 0.750831 La\n0.499999 0.500000 0.500001 Ga\n-0.000000 -0.000000 0.000000 Ni\n0.812337 0.690061 0.247907 O\n0.690113 0.247728 0.812394 O\n0.247697 0.812424 0.690174 O\n0.309886 0.752273 0.187606 O\n0.752301 0.187576 0.309827 O\n0.187661 0.309939 0.752094 O\n",
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"formula_full": "La2 Ga1 Ni1 O6",
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"spacegroup": 148
},
{
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"created_at": "2022-09-04T14:36:17.810989Z",
"updated_at": "2022-09-04T14:36:17.811011Z",
"structure_string": "La2 Ga4 Ni2\n1.0\n0.000000 0.000000 -4.255616\n-4.257753 -0.000000 0.000000\n2.128877 8.809012 0.000000\nLa Ga Ni\n2 4 2\ndirect\n0.000000 0.858477 0.716957 La\n0.000000 0.141521 0.283042 La\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.709315 0.418631 Ga\n0.500000 0.290683 0.581368 Ga\n0.500000 0.572087 0.144175 Ni\n0.500000 0.427911 0.855825 Ni\n",
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"spacegroup": 65
},
{
"id": "jvasp-122477",
"created_at": "2022-09-04T14:38:54.690519Z",
"updated_at": "2022-09-04T14:38:54.690546Z",
"structure_string": "La3 Nd1 Ga4 O12\n1.0\n7.832114 0.000000 0.000000\n0.000000 5.557832 0.009062\n-0.000000 -0.000548 5.531379\nLa Nd Ga O\n3 1 4 12\ndirect\n-0.000000 0.532743 0.993398 La\n0.500000 0.969574 0.493246 La\n0.500000 0.466381 0.007839 La\n-0.000000 0.041294 0.509629 Nd\n0.249032 0.501908 0.499753 Ga\n0.751369 0.999273 0.000582 Ga\n0.750968 0.501908 0.499753 Ga\n0.248630 0.999273 0.000582 Ga\n0.710123 0.713757 0.214220 O\n0.288410 0.215060 0.284124 O\n0.289876 0.713757 0.214220 O\n0.711590 0.215060 0.284124 O\n0.791942 0.281544 0.780974 O\n-0.000000 0.986257 0.082818 O\n0.500000 0.012266 0.926676 O\n0.500000 0.513569 0.574522 O\n0.793481 0.786979 0.713375 O\n-0.000000 0.480864 0.425815 O\n0.206518 0.786979 0.713375 O\n0.208058 0.281544 0.780974 O\n",
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"formula_full": "La3 Nd1 Ga4 O12",
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},
{
"id": "jvasp-112328",
"created_at": "2022-09-04T14:38:26.593616Z",
"updated_at": "2022-09-04T14:38:26.593632Z",
"structure_string": "La3 Nb1 Ga5 O14\n1.0\n8.294819 0.000000 0.000000\n-4.147410 7.183524 0.000000\n-0.000000 -0.000000 5.237659\nLa Nb Ga O\n3 1 5 14\ndirect\n0.574874 -0.000000 -0.000000 La\n-0.000000 0.574874 -0.000000 La\n0.425126 0.425126 -0.000000 La\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666666 0.530909 Ga\n0.666667 0.333333 0.469091 Ga\n0.244081 -0.000000 0.500000 Ga\n-0.000000 0.244080 0.500000 Ga\n0.755919 0.755919 0.500000 Ga\n0.686427 0.541672 0.299531 O\n0.144754 0.458327 0.700469 O\n0.855246 0.313573 0.299531 O\n0.458327 0.144754 0.299531 O\n0.666667 0.333333 0.818184 O\n0.333333 0.666666 0.181816 O\n0.224185 0.146907 0.756807 O\n0.922722 0.775815 0.756807 O\n0.077277 0.853092 0.243193 O\n0.313573 0.855245 0.700469 O\n0.775815 0.922722 0.243193 O\n0.146907 0.224185 0.243193 O\n0.853093 0.077278 0.756807 O\n0.541673 0.686426 0.700469 O\n",
"nsites": 23,
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],
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"density": 5.758199936164168,
"density_atomic": 0.07369637990436617,
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"formula_full": "La3 Nb1 Ga5 O14",
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{
"id": "jvasp-98501",
"created_at": "2022-09-04T14:38:13.035322Z",
"updated_at": "2022-09-04T14:38:13.035342Z",
"structure_string": "La6 Mn2 Ga2 S14\n1.0\n10.038149 -0.000000 -0.000000\n-5.019074 8.693291 0.000000\n-0.000000 0.000000 6.123702\nLa Mn Ga S\n6 2 2 14\ndirect\n0.154012 0.373128 0.019041 La\n0.780884 0.154012 0.519040 La\n0.373128 0.219116 0.519040 La\n0.626872 0.780884 0.019041 La\n0.219116 0.845988 0.019041 La\n0.845988 0.626872 0.519040 La\n0.000000 0.000000 0.192959 Mn\n0.000000 0.000000 0.692959 Mn\n0.666667 0.333333 0.096516 Ga\n0.333333 0.666667 0.596515 Ga\n0.477649 0.909962 0.737164 S\n0.567687 0.477648 0.237164 S\n0.909962 0.432313 0.237164 S\n0.090038 0.567686 0.737164 S\n0.432314 0.522352 0.737164 S\n0.522352 0.090038 0.237164 S\n0.089782 0.214243 0.441105 S\n0.910219 0.785756 0.941105 S\n0.875538 0.089782 0.941105 S\n0.124462 0.910218 0.441105 S\n0.333333 0.666667 0.229296 S\n0.214244 0.124462 0.941105 S\n0.785757 0.875538 0.441105 S\n0.666667 0.333333 0.729296 S\n",
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],
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"volume": 534.3821015585837,
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"formula_full": "La6 Mn2 Ga2 S14",
"formula_reduced": "La3MnGaS7",
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}
]
}