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{
"id": "jvasp-91019",
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"updated_at": "2022-09-04T14:36:15.666554Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-13.169103 0.000000 -7.603185\n-12.624678 0.000774 6.660213\n-8.598291 11.389113 -0.313692\nBa Li Mg\n2 1 1\ndirect\n0.749954 0.000000 -0.000000 Ba\n0.250045 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Mg\n",
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{
"id": "jvasp-81470",
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{
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"updated_at": "2022-09-04T14:37:29.435303Z",
"structure_string": "Ba1 Li2 Mg1 P2 O8\n1.0\n5.061324 0.000973 -0.001163\n-2.529926 -4.383609 0.000050\n-0.001561 0.000760 -7.106752\nBa Li Mg P O\n1 2 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Ba\n0.333327 0.666662 0.760822 Li\n0.666672 0.333339 0.239177 Li\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.248892 P\n0.666666 0.333334 0.751108 P\n0.333330 0.666660 0.466991 O\n0.666669 0.333341 0.533008 O\n0.640050 0.940787 0.179105 O\n0.059228 0.699267 0.179107 O\n0.300733 0.359955 0.179102 O\n0.359948 0.059213 0.820895 O\n0.940771 0.300734 0.820892 O\n0.699266 0.640046 0.820897 O\n",
"nsites": 14,
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"elements": [
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"density": 3.849161243310925,
"density_atomic": 0.08879920663994079,
"volume": 157.65906622078955,
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"formula_full": "Ba1 Li2 Mg1 P2 O8",
"formula_reduced": "BaLi2Mg(PO4)2",
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{
"id": "jvasp-56602",
"created_at": "2022-09-04T14:38:35.254279Z",
"updated_at": "2022-09-04T14:38:35.254297Z",
"structure_string": "Ba1 Li2 Mg2 Si2\n1.0\n4.435566 0.013289 7.977883\n2.078939 3.918220 7.977883\n0.022020 0.013289 9.128001\nBa Li Mg Si\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.429569 0.429570 0.429568 Li\n0.570431 0.570431 0.570430 Li\n0.135777 0.135777 0.135777 Mg\n0.864224 0.864224 0.864221 Mg\n0.242028 0.242028 0.242028 Si\n0.757972 0.757972 0.757970 Si\n",
"nsites": 7,
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"elements": [
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"density": 2.69974727707333,
"density_atomic": 0.044457911196556794,
"volume": 157.45229165292275,
"volume_molar": 13.545712333121056,
"formula_full": "Ba1 Li2 Mg2 Si2",
"formula_reduced": "BaLi2(MgSi)2",
"formula_anonymous": "AB2C2D2",
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"spacegroup": 166
},
{
"id": "jvasp-64010",
"created_at": "2022-09-04T14:38:11.877165Z",
"updated_at": "2022-09-04T14:38:11.877200Z",
"structure_string": "Ba4 Li1 Mo1\n1.0\n-0.000000 4.938756 4.938756\n4.938756 0.000000 4.938756\n4.938756 4.938756 -0.000000\nBa Li Mo\n4 1 1\ndirect\n0.121561 0.626147 0.626147 Ba\n0.626147 0.626147 0.626147 Ba\n0.626147 0.121561 0.626147 Ba\n0.626147 0.626147 0.121561 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
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],
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"density": 4.495105204144752,
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"volume": 240.92546539471672,
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"formula_full": "Ba4 Li1 Mo1",
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},
{
"id": "jvasp-88943",
"created_at": "2022-09-04T14:36:10.697191Z",
"updated_at": "2022-09-04T14:36:10.697212Z",
"structure_string": "Ba6 Li2 N2\n1.0\n8.171442 0.000000 0.000000\n-4.085721 7.076676 0.000000\n-0.000000 -0.000000 6.876394\nBa Li N\n6 2 2\ndirect\n0.149637 0.299275 0.750000 Ba\n0.149638 0.850363 0.750000 Ba\n0.850363 0.700726 0.250000 Ba\n0.700725 0.850363 0.750000 Ba\n0.299275 0.149637 0.250000 Ba\n0.850363 0.149637 0.250000 Ba\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 10,
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"elements": [
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"Li",
"N"
],
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"density": 3.6158191707446483,
"density_atomic": 0.025148450560630094,
"volume": 397.63881181829163,
"volume_molar": 23.94636896408904,
"formula_full": "Ba6 Li2 N2",
"formula_reduced": "Ba3LiN",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-69001",
"created_at": "2022-09-04T14:35:40.735181Z",
"updated_at": "2022-09-04T14:35:40.735212Z",
"structure_string": "Ba1 Na1 Li2\n1.0\n6.034551 0.000000 0.000000\n0.000000 6.034551 -0.000000\n-0.000000 0.000000 3.954154\nBa Na Li\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n",
"nsites": 4,
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"volume": 143.9937040549992,
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"formula_full": "Ba1 Na1 Li2",
"formula_reduced": "BaNaLi2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-64825",
"created_at": "2022-09-04T14:36:07.132617Z",
"updated_at": "2022-09-04T14:36:07.132641Z",
"structure_string": "Ba1 Na1 Li1\n1.0\n0.000000 4.284573 4.284573\n4.284573 -0.000000 4.284573\n4.284573 4.284573 0.000000\nBa Na Li\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
"nsites": 3,
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"formula_full": "Ba1 Na1 Li1",
"formula_reduced": "BaNaLi",
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{
"id": "jvasp-69148",
"created_at": "2022-09-04T14:35:44.130112Z",
"updated_at": "2022-09-04T14:35:44.130138Z",
"structure_string": "Ba2 Li1 Nb1\n1.0\n0.000000 4.179861 4.179861\n4.179861 -0.000000 4.179861\n4.179861 4.179861 -0.000000\nBa Li Nb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
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"formula_full": "Ba2 Li1 Nb1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-64739",
"created_at": "2022-09-04T14:35:57.647190Z",
"updated_at": "2022-09-04T14:35:57.647215Z",
"structure_string": "Ba4 Li1 Nb1\n1.0\n-0.000000 5.107076 5.107076\n5.107076 0.000000 5.107076\n5.107076 5.107076 -0.000000\nBa Li Nb\n4 1 1\ndirect\n0.122437 0.625855 0.625855 Ba\n0.625855 0.625855 0.625855 Ba\n0.625855 0.122437 0.625855 Ba\n0.625855 0.625855 0.122437 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Nb\n",
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},
{
"id": "jvasp-69047",
"created_at": "2022-09-04T14:35:58.128949Z",
"updated_at": "2022-09-04T14:35:58.128984Z",
"structure_string": "Ba1 Li1 Ni2\n1.0\n-2.222095 2.222095 4.037139\n2.222095 -2.222095 4.037139\n2.222095 2.222095 -4.037139\nBa Li Ni\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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{
"id": "jvasp-64510",
"created_at": "2022-09-04T14:36:19.168022Z",
"updated_at": "2022-09-04T14:36:19.168056Z",
"structure_string": "Ba4 Li1 Ni1\n1.0\n0.000000 5.070232 5.070232\n5.070232 0.000000 5.070232\n5.070232 5.070232 0.000000\nBa Li Ni\n4 1 1\ndirect\n0.121217 0.626261 0.626261 Ba\n0.626261 0.626261 0.626261 Ba\n0.626261 0.121217 0.626261 Ba\n0.626261 0.626261 0.121217 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ni\n",
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