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{
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"results": [
{
"id": "jvasp-93167",
"created_at": "2022-09-04T14:36:01.822557Z",
"updated_at": "2022-09-04T14:36:01.822590Z",
"structure_string": "Li1 Mg6 Nb1\n1.0\n6.241397 -0.000144 0.000000\n-3.120823 5.405136 0.000000\n0.000000 0.000000 4.945842\nLi Mg Nb\n1 6 1\ndirect\n0.083232 0.416769 0.250000 Li\n0.098176 0.924121 0.250000 Mg\n0.575881 0.401826 0.250000 Mg\n0.575957 0.924046 0.250000 Mg\n0.415756 0.582840 0.750000 Mg\n0.917162 0.084245 0.750000 Mg\n0.917127 0.582876 0.750000 Mg\n0.416717 0.083284 0.750000 Nb\n",
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],
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"density": 2.445070482903488,
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"volume": 166.84872281697585,
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"formula_full": "Li1 Mg6 Nb1",
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{
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"updated_at": "2022-09-04T14:38:17.011062Z",
"structure_string": "Li1 Mg2 Ni1\n1.0\n3.852081 -0.000000 2.224000\n1.284027 3.631777 2.224000\n-0.000000 -0.000000 4.448000\nLi Mg Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750001 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ni\n",
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"volume": 62.22707154346378,
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"formula_full": "Li1 Mg2 Ni1",
"formula_reduced": "LiMg2Ni",
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"spacegroup": 225
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{
"id": "jvasp-111952",
"created_at": "2022-09-04T14:38:41.902847Z",
"updated_at": "2022-09-04T14:38:41.902870Z",
"structure_string": "Li3 Mg1 Ni4 O8\n1.0\n5.032614 -0.017992 2.872763\n1.659577 4.751140 2.872763\n-0.025439 -0.017992 5.794768\nLi Mg Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mg\n0.499999 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.750821 0.266893 0.750821 O\n0.249179 0.733108 0.249178 O\n0.733107 0.249179 0.249178 O\n0.258773 0.258774 0.258773 O\n0.741226 0.741227 0.741226 O\n0.266892 0.750822 0.750821 O\n0.249178 0.249179 0.733108 O\n0.750821 0.750822 0.266892 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Li-Mg-Ni-O",
"density": 4.864028608177301,
"density_atomic": 0.1148991213433721,
"volume": 139.25258794786208,
"volume_molar": 5.241241786351906,
"formula_full": "Li3 Mg1 Ni4 O8",
"formula_reduced": "Li3Mg(NiO2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.826814790625,
"spacegroup": 166
},
{
"id": "jvasp-92192",
"created_at": "2022-09-04T14:36:07.245238Z",
"updated_at": "2022-09-04T14:36:07.245258Z",
"structure_string": "Li1 Mg3 O4\n1.0\n4.202243 -0.000000 -0.000000\n0.000000 4.202243 -0.000000\n0.000000 0.000000 4.202243\nLi Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Li-Mg-O",
"density": 3.2190397901031895,
"density_atomic": 0.10780688552662696,
"volume": 74.20676296250205,
"volume_molar": 5.586044648801774,
"formula_full": "Li1 Mg3 O4",
"formula_reduced": "LiMg3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8103876437499998,
"spacegroup": 221
},
{
"id": "jvasp-22434",
"created_at": "2022-09-04T14:37:46.337495Z",
"updated_at": "2022-09-04T14:37:46.337523Z",
"structure_string": "Li4 Mg4 P4 O16\n1.0\n4.705183 -0.000000 0.000000\n0.000000 5.913614 0.000000\n0.000000 0.000000 10.169455\nLi Mg P 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\n0.018774 0.749999 0.277308 Mg\n0.981225 0.250000 0.722691 Mg\n0.481226 0.749999 0.777308 Mg\n0.518774 0.250000 0.222691 Mg\n0.583279 0.749999 0.093844 P\n0.916720 0.749999 0.593844 P\n0.416720 0.250000 0.906156 P\n0.083279 0.250000 0.406156 P\n0.297859 0.250000 0.048322 O\n0.702140 0.749999 0.951677 O\n0.242454 0.749999 0.599818 O\n0.797858 0.749999 0.451678 O\n0.757545 0.250000 0.400182 O\n0.257545 0.749999 0.099818 O\n0.221396 0.042752 0.334542 O\n0.221396 0.457248 0.334542 O\n0.742454 0.250000 0.900182 O\n0.278603 0.042752 0.834542 O\n0.778603 0.957248 0.665457 O\n0.721396 0.542751 0.165458 O\n0.202141 0.250000 0.548322 O\n0.778603 0.542751 0.665457 O\n0.278603 0.457248 0.834542 O\n0.721396 0.957248 0.165458 O\n",
"nsites": 28,
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"elements": [
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"P",
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],
"chemical_system": "Li-Mg-O-P",
"density": 2.962790996938271,
"density_atomic": 0.09895343164066646,
"volume": 282.9613843173981,
"volume_molar": 6.085833164299385,
"formula_full": "Li4 Mg4 P4 O16",
"formula_reduced": "LiMgPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-21668",
"created_at": "2022-09-04T14:38:33.440593Z",
"updated_at": "2022-09-04T14:38:33.440612Z",
"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
"nsites": 32,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Li-Mg-O-Si",
"density": 2.5502350589423695,
"density_atomic": 0.09431404137308684,
"volume": 339.2920029098808,
"volume_molar": 6.3852006258301,
"formula_full": "Li8 Mg4 Si4 O16",
"formula_reduced": "Li2MgSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.58695520625,
"spacegroup": 14
},
{
"id": "jvasp-112325",
"created_at": "2022-09-04T14:38:26.640503Z",
"updated_at": "2022-09-04T14:38:26.640534Z",
"structure_string": "Li2 Mg8 Sn2 O16\n1.0\n6.009494 0.000000 0.000000\n-3.004748 5.204374 0.000000\n-0.000000 -0.000000 9.987409\nLi Mg Sn O\n2 8 2 16\ndirect\n0.000000 0.000000 0.820423 Li\n0.000000 0.000000 0.320423 Li\n0.666666 0.333333 0.910395 Mg\n0.660518 0.830259 0.102620 Mg\n0.169740 0.830259 0.102620 Mg\n0.333333 0.666666 0.410395 Mg\n0.169740 0.339481 0.102620 Mg\n0.830259 0.169740 0.602620 Mg\n0.830259 0.660519 0.602620 Mg\n0.339481 0.169740 0.602620 Mg\n0.666666 0.333333 0.326461 Sn\n0.333333 0.666666 0.826461 Sn\n0.162949 0.325898 0.719771 O\n0.325898 0.162949 0.219771 O\n0.837050 0.162949 0.219771 O\n0.674101 0.837050 0.719771 O\n0.837050 0.674101 0.219771 O\n0.162948 0.837050 0.719771 O\n0.333333 0.666666 0.213829 O\n0.485232 0.514767 0.969681 O\n0.970464 0.485232 0.469681 O\n0.514767 0.485232 0.469681 O\n0.029535 0.514767 0.969681 O\n0.514767 0.029535 0.469681 O\n0.000000 0.000000 0.002679 O\n0.485231 0.970464 0.969681 O\n0.666666 0.333333 0.713829 O\n0.000000 0.000000 0.502679 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 3.7304514026996918,
"density_atomic": 0.08963936917954686,
"volume": 312.3627515039318,
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"formula_full": "Li2 Mg8 Sn2 O16",
"formula_reduced": "LiMg4SnO8",
"formula_anonymous": "ABC4D8",
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},
{
"id": "jvasp-56345",
"created_at": "2022-09-04T14:37:37.227776Z",
"updated_at": "2022-09-04T14:37:37.227795Z",
"structure_string": "Li2 Mg2 V2 O8\n1.0\n5.161762 0.009923 0.000000\n-2.063135 4.731529 -0.000000\n-0.000000 0.000000 6.244038\nLi Mg V O\n2 2 2 8\ndirect\n0.838319 0.161680 0.250000 Li\n0.161680 0.838320 0.750000 Li\n0.499999 0.500000 0.000000 Mg\n0.499999 0.500000 0.500000 Mg\n0.144994 0.855005 0.250000 V\n0.855004 0.144994 0.750000 V\n0.259025 0.740974 0.472637 O\n0.736282 0.772982 0.750000 O\n0.263717 0.227018 0.250000 O\n0.740973 0.259026 0.972637 O\n0.740973 0.259026 0.527363 O\n0.772981 0.736283 0.250000 O\n0.227017 0.263717 0.750000 O\n0.259025 0.740974 0.027363 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.09172740831736315,
"volume": 152.62613712536267,
"volume_molar": 6.565257724457113,
"formula_full": "Li2 Mg2 V2 O8",
"formula_reduced": "LiMgVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-101169",
"created_at": "2022-09-04T14:36:39.380669Z",
"updated_at": "2022-09-04T14:36:39.380686Z",
"structure_string": "Li2 Mg1 Zr1 O4\n1.0\n3.886947 -0.002479 -3.726791\n-0.709024 3.821734 -3.726791\n0.002063 0.002479 5.384917\nLi Mg Zr O\n2 1 1 4\ndirect\n0.500001 0.499999 0.000000 Li\n0.750000 0.250000 0.500001 Li\n0.250001 0.749999 0.500000 Mg\n0.000000 0.000000 0.000000 Zr\n0.767419 0.767417 0.000000 O\n0.012981 0.512980 0.500000 O\n0.487020 0.987018 0.500001 O\n0.232583 0.232582 0.000000 O\n",
"nsites": 8,
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],
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"density": 4.011789626428991,
"density_atomic": 0.0999316962667109,
"volume": 80.05468033534169,
"volume_molar": 6.026256918452895,
"formula_full": "Li2 Mg1 Zr1 O4",
"formula_reduced": "Li2MgZrO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 119
},
{
"id": "jvasp-31161",
"created_at": "2022-09-04T14:37:46.282648Z",
"updated_at": "2022-09-04T14:37:46.282670Z",
"structure_string": "Li1 Mg1 P1\n1.0\n4.242096 0.000000 0.000000\n2.121048 3.673763 -0.000000\n2.121048 1.224588 3.463657\nLi Mg P\n1 1 1\ndirect\n0.750001 0.750000 0.750001 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 P\n",
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"formula_full": "Li1 Mg1 P1",
"formula_reduced": "LiMgP",
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"spacegroup": 216
},
{
"id": "jvasp-40798",
"created_at": "2022-09-04T14:37:52.677698Z",
"updated_at": "2022-09-04T14:37:52.677725Z",
"structure_string": "Li1 Mg1 P1\n1.0\n3.682648 0.000000 2.126178\n1.227548 3.472034 2.126178\n0.000000 0.000000 4.252355\nLi Mg P\n1 1 1\ndirect\n0.500001 0.499999 0.500001 Li\n0.250000 0.250000 0.250001 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
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"elements": [
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"volume": 54.3717977178365,
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"formula_full": "Li1 Mg1 P1",
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"spacegroup": 216
},
{
"id": "jvasp-15909",
"created_at": "2022-09-04T14:37:50.397363Z",
"updated_at": "2022-09-04T14:37:50.397385Z",
"structure_string": "Li1 Mg1 P1\n1.0\n3.523963 0.000000 2.034561\n1.174654 3.322424 2.034561\n-0.000000 -0.000000 4.069122\nLi Mg P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
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],
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"volume": 47.64168422135158,
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"formula_full": "Li1 Mg1 P1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
}
]
}