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{
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"results": [
{
"id": "jvasp-47815",
"created_at": "2022-09-04T14:36:43.087370Z",
"updated_at": "2022-09-04T14:36:43.087381Z",
"structure_string": "Li1 Fe1 Si1 O4\n1.0\n-0.000000 4.429907 -0.000000\n2.214953 -2.214954 4.308982\n4.429907 0.000000 -0.000000\nLi Fe Si O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.750001 0.500000 0.750000 Fe\n0.000000 0.000000 0.000000 Si\n0.347748 0.217635 0.084518 O\n0.697848 0.782365 0.347748 O\n0.869887 0.217635 0.697847 O\n0.084519 0.782365 0.869886 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.04123496074809,
"density_atomic": 0.08278166217102753,
"volume": 84.55979037408004,
"volume_molar": 7.274728003840044,
"formula_full": "Li1 Fe1 Si1 O4",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-44421",
"created_at": "2022-09-04T14:38:17.089972Z",
"updated_at": "2022-09-04T14:38:17.089997Z",
"structure_string": "Li2 Fe1 Si3 O8\n1.0\n5.061715 0.059029 -0.100887\n1.790591 5.890627 0.023285\n1.638704 1.074214 5.787475\nLi Fe Si O\n2 1 3 8\ndirect\n0.248312 0.645917 0.147467 Li\n0.777112 0.327868 0.862999 Li\n0.658556 0.301662 0.361755 Fe\n0.297578 0.120327 0.179373 Si\n0.331231 0.746430 0.609761 Si\n0.728469 0.880263 0.811393 Si\n0.983616 0.186776 0.123369 O\n0.063168 0.752083 0.840368 O\n0.438421 0.337736 0.107763 O\n0.340146 0.561985 0.462451 O\n0.712412 0.139198 0.668382 O\n0.286515 0.010294 0.457604 O\n0.506269 0.892892 0.059450 O\n0.628181 0.695171 0.709261 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.712732746733051,
"density_atomic": 0.0811091115429171,
"volume": 172.6069948700179,
"volume_molar": 7.424740137627469,
"formula_full": "Li2 Fe1 Si3 O8",
"formula_reduced": "Li2FeSi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.781405664285714,
"spacegroup": 1
},
{
"id": "jvasp-44074",
"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 3.180507946425372,
"density_atomic": 0.08936014912203172,
"volume": 246.1947547777302,
"volume_molar": 6.739179398387154,
"formula_full": "Li4 Fe3 Si3 O12",
"formula_reduced": "Li4Fe3(SiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy_above_hull": 2.867868831818181,
"spacegroup": 5
},
{
"id": "jvasp-11729",
"created_at": "2022-09-04T14:38:09.754028Z",
"updated_at": "2022-09-04T14:38:09.754048Z",
"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.965074 0.000000 0.000000\n0.000000 5.326696 0.000000\n0.000000 0.000000 6.267331\nLi Fe Si O\n4 2 2 8\ndirect\n0.057009 0.667303 0.250371 Li\n0.557009 0.332697 0.249629 Li\n0.557009 0.332697 0.750371 Li\n0.057009 0.667303 0.749629 Li\n0.059266 0.174921 0.500000 Fe\n0.559266 0.825080 0.000000 Fe\n0.050574 0.168838 0.000000 Si\n0.550573 0.831163 0.500000 Si\n0.717616 0.174931 0.000000 O\n0.161042 0.315671 0.216028 O\n0.217616 0.825070 0.500000 O\n0.651441 0.128155 0.500000 O\n0.661041 0.684330 0.716027 O\n0.661041 0.684330 0.283972 O\n0.161042 0.315671 0.783972 O\n0.151442 0.871846 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.242040605631269,
"density_atomic": 0.0965280900685148,
"volume": 165.7548594263425,
"volume_molar": 6.238744344496546,
"formula_full": "Li4 Fe2 Si2 O8",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2770735124999995,
"spacegroup": 31
},
{
"id": "jvasp-47371",
"created_at": "2022-09-04T14:38:10.357266Z",
"updated_at": "2022-09-04T14:38:10.357292Z",
"structure_string": "Li4 Fe1 Si2 O7\n1.0\n-0.000000 4.475618 -0.000000\n-4.771257 2.237808 0.065670\n-1.114561 0.000000 6.700507\nLi Fe Si O\n4 1 2 7\ndirect\n0.163738 0.702273 0.434672 Li\n0.720526 0.574584 0.146693 Li\n0.295110 0.425416 0.853307 Li\n0.866011 0.297728 0.565329 Li\n0.000990 -0.000000 0.000000 Fe\n0.566738 0.848396 0.709525 Si\n0.415134 0.151605 0.290475 Si\n0.338156 0.894309 0.227134 O\n0.864025 0.733119 0.889568 O\n0.493829 0.591356 0.653652 O\n0.085185 0.408644 0.346348 O\n0.597144 0.266881 0.110433 O\n0.232465 0.105692 0.772867 O\n0.687952 -0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 2.9286335178774485,
"density_atomic": 0.09806860150693412,
"volume": 142.75721061455235,
"volume_molar": 6.140742977327146,
"formula_full": "Li4 Fe1 Si2 O7",
"formula_reduced": "Li4FeSi2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.416148371428571,
"spacegroup": 5
},
{
"id": "jvasp-44751",
"created_at": "2022-09-04T14:38:13.609889Z",
"updated_at": "2022-09-04T14:38:13.609910Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n-0.000000 3.975506 3.975506\n3.926963 0.054219 3.921287\n3.926963 3.921287 0.054219\nLi Fe Si O\n2 2 2 8\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000001 0.500000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.111157 0.138843 0.138843 Si\n0.888846 0.861156 0.861156 Si\n0.238198 0.254535 0.254535 O\n0.752734 0.254535 0.254535 O\n0.241145 0.759662 0.258047 O\n0.241145 0.258047 0.759662 O\n0.758857 0.741952 0.240337 O\n0.758857 0.240337 0.741952 O\n0.247268 0.745464 0.745464 O\n0.761804 0.745464 0.745464 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 4.259737532051212,
"density_atomic": 0.11594900028006047,
"volume": 120.74274005109774,
"volume_molar": 5.193784116684287,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.443982585714286,
"spacegroup": 74
},
{
"id": "jvasp-48293",
"created_at": "2022-09-04T14:36:15.770647Z",
"updated_at": "2022-09-04T14:36:15.770673Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.189895 0.000043 -0.000355\n-2.594975 -4.494699 0.000272\n-0.005392 0.003632 -9.308958\nLi Fe Si O\n2 2 2 8\ndirect\n0.999895 0.999902 0.210551 Li\n0.000124 0.999940 0.710542 Li\n0.333196 0.666619 0.132441 Fe\n0.666718 0.333324 0.632440 Fe\n0.333447 0.666709 0.762493 Si\n0.666602 0.333370 0.262493 Si\n0.627681 0.655984 0.702630 O\n0.028637 0.372342 0.702403 O\n0.333390 0.667210 0.936701 O\n0.655953 0.028390 0.202626 O\n0.344000 0.971354 0.702196 O\n0.666716 0.333944 0.436701 O\n0.971344 0.627446 0.202354 O\n0.372317 0.343773 0.202249 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 2.368567008843596,
"density_atomic": 0.06447180717247214,
"volume": 217.14917905973715,
"volume_molar": 9.34073515868701,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4444768714285714,
"spacegroup": 173
},
{
"id": "jvasp-48292",
"created_at": "2022-09-04T14:36:09.314662Z",
"updated_at": "2022-09-04T14:36:09.314687Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.965834 -0.007024 0.002323\n0.070436 5.398901 0.012325\n0.025109 0.074396 6.190866\nLi Fe Si O\n3 2 2 8\ndirect\n0.510738 0.663510 0.252156 Li\n0.507134 0.668138 0.751011 Li\n-0.000693 0.331340 0.749008 Li\n0.008802 0.826352 0.007432 Fe\n0.499697 0.175709 0.490759 Fe\n0.492150 0.167841 0.995359 Si\n0.004899 0.835713 0.505160 Si\n0.614625 0.877312 0.999387 O\n0.163360 0.148466 0.980020 O\n0.578539 0.317007 0.213216 O\n0.122035 0.706049 0.284778 O\n0.117024 0.119919 0.520953 O\n0.669929 0.838875 0.501382 O\n0.103305 0.676951 0.725420 O\n0.602539 0.315887 0.774425 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 3.1682859314286675,
"density_atomic": 0.09037472552784365,
"volume": 165.97560780838702,
"volume_molar": 6.663523152991078,
"formula_full": "Li3 Fe2 Si2 O8",
"formula_reduced": "Li3Fe2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.7071524133333336,
"spacegroup": 1
},
{
"id": "jvasp-117291",
"created_at": "2022-09-04T14:38:26.150954Z",
"updated_at": "2022-09-04T14:38:26.150975Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.759046 -0.000000 0.000000\n0.000000 6.100465 0.000000\n-0.000000 -0.000000 10.029642\nLi Fe Si O\n4 4 4 16\ndirect\n0.961682 0.002069 0.030960 Li\n0.038319 0.502069 0.469040 Li\n0.538320 0.997930 0.530960 Li\n0.461681 0.497930 0.969040 Li\n0.499925 0.751547 0.249789 Fe\n0.500076 0.251547 0.250211 Fe\n0.000076 0.248452 0.749789 Fe\n0.999925 0.748452 0.750211 Fe\n0.415299 0.998402 0.842146 Si\n0.584702 0.498402 0.657853 Si\n0.084701 0.001597 0.342147 Si\n0.915300 0.501597 0.157853 Si\n0.756430 0.998684 0.840936 O\n0.742328 0.498496 0.810474 O\n0.257673 0.998496 0.689525 O\n0.243571 0.498684 0.659063 O\n0.736116 0.721161 0.598783 O\n0.735498 0.275217 0.599081 O\n0.235498 0.224782 0.400918 O\n0.763885 0.278838 0.098783 O\n0.743572 0.001315 0.340936 O\n0.757673 0.501503 0.310475 O\n0.242328 0.001503 0.189525 O\n0.256429 0.501315 0.159063 O\n0.263884 0.221161 0.901216 O\n0.764503 0.724782 0.099081 O\n0.236116 0.778838 0.401217 O\n0.264503 0.775217 0.900918 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 3.5326904913500354,
"density_atomic": 0.0961589599567816,
"volume": 291.18451377369854,
"volume_molar": 6.262693318133469,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.446065442857143,
"spacegroup": 62
},
{
"id": "jvasp-48244",
"created_at": "2022-09-04T14:35:43.757659Z",
"updated_at": "2022-09-04T14:35:43.757685Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.040844 0.000000 0.000000\n0.000000 6.631014 0.000000\n0.000000 0.000000 10.326990\nLi Fe Si O\n4 4 4 16\ndirect\n0.754779 0.496613 0.154305 Li\n0.254780 0.996613 0.345695 Li\n0.754779 0.003386 0.654305 Li\n0.254780 0.503386 0.845695 Li\n0.752602 0.995839 0.169371 Fe\n0.252602 0.495839 0.330629 Fe\n0.752602 0.504160 0.669371 Fe\n0.252602 0.004160 0.830629 Fe\n0.750715 0.760180 0.910320 Si\n0.250715 0.260180 0.589680 Si\n0.750715 0.739819 0.410320 Si\n0.250715 0.239819 0.089680 Si\n0.868714 0.554451 0.841336 O\n0.884558 0.954880 0.834686 O\n0.384558 0.454881 0.665314 O\n0.368714 0.054452 0.658664 O\n0.927417 0.267391 0.616293 O\n0.815360 0.737889 0.566070 O\n0.315360 0.262111 0.433930 O\n0.927417 0.232608 0.116293 O\n0.868714 0.945548 0.341336 O\n0.884558 0.545119 0.334686 O\n0.384558 0.045119 0.165314 O\n0.368714 0.445548 0.158664 O\n0.427417 0.767391 0.883707 O\n0.815360 0.762110 0.066070 O\n0.427417 0.732608 0.383707 O\n0.315360 0.237889 0.933930 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.98000439473401,
"density_atomic": 0.08111498133388775,
"volume": 345.18900873250055,
"volume_molar": 7.424202854971384,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438026871428572,
"spacegroup": 33
},
{
"id": "jvasp-47845",
"created_at": "2022-09-04T14:36:46.123818Z",
"updated_at": "2022-09-04T14:36:46.123830Z",
"structure_string": "Li6 Fe2 Si2 O10\n1.0\n4.980391 -0.003708 0.013668\n1.582554 5.386463 0.006629\n1.493537 1.081960 5.830725\nLi Fe Si O\n6 2 2 10\ndirect\n0.494156 0.249755 0.003142 Li\n0.317352 0.448640 0.397303 Li\n0.307429 0.948401 0.396231 Li\n0.692571 0.051598 0.603771 Li\n0.682647 0.551359 0.602699 Li\n0.505843 0.750244 -0.003142 Li\n0.905742 0.350126 0.204247 Fe\n0.094257 0.649873 0.795754 Fe\n0.101854 0.150497 0.780477 Si\n0.898146 0.849502 0.219525 Si\n0.353041 0.336630 0.718501 O\n0.645675 0.127302 0.284994 O\n0.646958 0.663369 0.281500 O\n0.159062 0.048401 0.096494 O\n0.002764 0.752919 0.485075 O\n0.163955 0.577132 0.104657 O\n0.836044 0.422867 0.895344 O\n-0.002764 0.247080 0.514926 O\n0.840938 0.951598 0.903507 O\n0.354325 0.872697 0.715008 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.9248196334095287,
"density_atomic": 0.1279337068000997,
"volume": 156.33096624997046,
"volume_molar": 4.707235419520657,
"formula_full": "Li6 Fe2 Si2 O10",
"formula_reduced": "Li3FeSiO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.25653116,
"spacegroup": 2
},
{
"id": "jvasp-48612",
"created_at": "2022-09-04T14:36:46.829259Z",
"updated_at": "2022-09-04T14:36:46.829281Z",
"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.919683 0.151595 -0.053115\n0.220000 5.377016 -0.097415\n-0.052179 0.053405 6.278204\nLi Fe Si O\n4 2 2 8\ndirect\n0.493332 0.838147 0.501553 Li\n0.983224 0.654285 0.736491 Li\n0.509797 0.339950 0.267589 Li\n0.007910 0.155960 0.500386 Li\n0.012930 0.144923 0.004069 Fe\n0.434146 0.844848 -0.003259 Fe\n-0.005721 0.663969 0.261223 Si\n0.512364 0.336217 0.741249 Si\n0.871668 0.810619 0.036940 O\n0.883199 0.812577 0.471487 O\n0.331181 0.673208 0.251246 O\n0.390879 0.631211 0.746177 O\n0.912346 0.370992 0.249572 O\n0.850646 0.318574 0.750564 O\n0.399872 0.188791 0.534983 O\n0.419505 0.213133 0.972467 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.2395922565344835,
"density_atomic": 0.09645519324491453,
"volume": 165.88013005555385,
"volume_molar": 6.243459328010325,
"formula_full": "Li4 Fe2 Si2 O8",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2770322625,
"spacegroup": 1
}
]
}