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{
"id": "jvasp-44514",
"created_at": "2022-09-04T14:38:08.313995Z",
"updated_at": "2022-09-04T14:38:08.314011Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n5.137466 0.117647 0.628830\n2.577566 4.211218 0.335613\n0.828927 0.040749 7.569978\nLi Cr P O\n2 2 2 8\ndirect\n0.342552 0.315678 0.834727 Li\n0.661514 0.667211 0.313214 Li\n0.046857 -0.039859 0.533113 Cr\n-0.017034 -0.024772 -0.020719 Cr\n0.298868 0.368322 0.239716 P\n0.681839 0.659794 0.727773 P\n0.767052 0.297890 0.763312 O\n0.064638 0.281182 0.351488 O\n0.173625 0.524848 0.062514 O\n0.627489 0.062568 0.186282 O\n-0.008238 0.649703 0.718422 O\n0.428206 0.879186 0.886115 O\n0.549596 0.798580 0.556747 O\n0.314476 0.609326 0.339795 O\n",
"nsites": 14,
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"elements": [
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"P",
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],
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"density": 3.2083885500633236,
"density_atomic": 0.0878766316796245,
"volume": 159.31425377158723,
"volume_molar": 6.852949009191851,
"formula_full": "Li2 Cr2 P2 O8",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
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{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
"nsites": 14,
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"elements": [
"Li",
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.168132996521929,
"density_atomic": 0.09886481163375929,
"volume": 141.60751200196927,
"volume_molar": 6.091288356780345,
"formula_full": "Li2 V2 Fe2 O8",
"formula_reduced": "LiVFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.645913385714286,
"spacegroup": 74
},
{
"id": "jvasp-44771",
"created_at": "2022-09-04T14:38:11.401077Z",
"updated_at": "2022-09-04T14:38:11.401101Z",
"structure_string": "Li2 Co2 Sb2 O8\n1.0\n5.886000 0.000000 0.000000\n2.942999 5.394626 0.001302\n2.942999 1.799437 5.085668\nLi Co Sb O\n2 2 2 8\ndirect\n0.143227 0.106773 0.106773 Li\n0.856773 0.893228 0.893227 Li\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.263817 0.253537 0.253537 O\n0.274735 0.243656 0.706876 O\n0.274735 0.706877 0.243655 O\n0.729110 0.253537 0.253537 O\n0.270890 0.746464 0.746463 O\n0.725265 0.756345 0.293123 O\n0.725265 0.293124 0.756344 O\n0.736182 0.746464 0.746463 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Li-O-Sb",
"density": 5.175497380364196,
"density_atomic": 0.08670327856157728,
"volume": 161.4702492484999,
"volume_molar": 6.945689782333933,
"formula_full": "Li2 Co2 Sb2 O8",
"formula_reduced": "LiCoSbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.267213,
"spacegroup": 74
},
{
"id": "jvasp-42938",
"created_at": "2022-09-04T14:38:08.609594Z",
"updated_at": "2022-09-04T14:38:08.609610Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Ge-Li-O",
"density": 3.7993647045009094,
"density_atomic": 0.07908781974843024,
"volume": 177.01840870733923,
"volume_molar": 7.614498388191476,
"formula_full": "Li2 Co2 Ge2 O8",
"formula_reduced": "LiCoGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1336386928571427,
"spacegroup": 7
},
{
"id": "jvasp-43016",
"created_at": "2022-09-04T14:38:16.332393Z",
"updated_at": "2022-09-04T14:38:16.332417Z",
"structure_string": "Li2 Fe2 Ni2 O8\n1.0\n5.742663 0.000000 0.000000\n2.871331 4.949848 0.083718\n2.871331 1.728880 4.638856\nLi Fe Ni O\n2 2 2 8\ndirect\n0.123170 0.126830 0.126830 Li\n0.876829 0.873170 0.873171 Li\n0.500000 -0.000000 0.500000 Fe\n0.499999 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500001 Ni\n0.499999 0.500000 0.500001 Ni\n0.264127 0.262762 0.262763 O\n0.267874 0.253887 0.710364 O\n0.267874 0.710363 0.253888 O\n0.710348 0.262762 0.262763 O\n0.289651 0.737238 0.737239 O\n0.732124 0.746113 0.289637 O\n0.732124 0.289636 0.746114 O\n0.735872 0.737238 0.737239 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.701098007765972,
"density_atomic": 0.10684597959517392,
"volume": 131.02973132956666,
"volume_molar": 5.6362820415116595,
"formula_full": "Li2 Fe2 Ni2 O8",
"formula_reduced": "LiFeNiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-46494",
"created_at": "2022-09-04T14:38:09.765243Z",
"updated_at": "2022-09-04T14:38:09.765268Z",
"structure_string": "Na2 V2 Si2 O8\n1.0\n5.033851 0.115652 0.000000\n2.067423 4.591165 0.000000\n0.000000 -0.000000 6.633910\nNa V Si O\n2 2 2 8\ndirect\n0.317569 0.317569 0.250000 Na\n0.682431 0.682430 0.750000 Na\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.338468 0.338468 0.750000 Si\n0.661532 0.661531 0.250000 Si\n0.222188 0.222187 0.555651 O\n0.222188 0.222187 0.944349 O\n0.203815 0.706001 0.750000 O\n0.293998 0.796184 0.250000 O\n0.706001 0.203815 0.750000 O\n0.796185 0.293998 0.250000 O\n0.777812 0.777811 0.055651 O\n0.777812 0.777811 0.444349 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"V",
"Si",
"O"
],
"chemical_system": "Na-O-Si-V",
"density": 3.6336945491922235,
"density_atomic": 0.09226812178718496,
"volume": 151.73171111351752,
"volume_molar": 6.526783729151849,
"formula_full": "Na2 V2 Si2 O8",
"formula_reduced": "NaVSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.319120828571429,
"spacegroup": 63
},
{
"id": "jvasp-42994",
"created_at": "2022-09-04T14:38:09.749510Z",
"updated_at": "2022-09-04T14:38:09.749540Z",
"structure_string": "Li2 V2 Cr2 O8\n1.0\n5.773213 0.000000 0.000000\n2.886607 5.076439 -0.027905\n2.886607 1.665837 4.795414\nLi V Cr O\n2 2 2 8\ndirect\n0.125101 0.124899 0.124898 Li\n0.874899 0.875103 0.875100 Li\n0.000001 0.500001 0.499999 V\n0.500000 0.500001 0.499999 V\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.257322 0.264534 0.264533 O\n0.259304 0.264291 0.717103 O\n0.259304 0.717104 0.264289 O\n0.713612 0.264534 0.264533 O\n0.286389 0.735467 0.735465 O\n0.740697 0.735711 0.282895 O\n0.740697 0.282897 0.735709 O\n0.742679 0.735467 0.735465 O\n",
"nsites": 14,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.100981979301887,
"density_atomic": 0.09942524347483904,
"volume": 140.80931070128983,
"volume_molar": 6.056953495441012,
"formula_full": "Li2 V2 Cr2 O8",
"formula_reduced": "LiVCrO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-46748",
"created_at": "2022-09-04T14:38:05.197083Z",
"updated_at": "2022-09-04T14:38:05.197115Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n4.993035 -0.002558 -0.000209\n0.004260 5.530386 -0.001235\n0.070570 0.002301 6.082391\nLi Fe Si O\n2 2 2 8\ndirect\n0.010637 0.333685 0.749588 Li\n0.510856 0.666105 0.249626 Li\n0.009985 0.832431 0.998848 Fe\n0.509843 0.167335 0.498768 Fe\n0.005870 0.830767 0.501381 Si\n0.505804 0.169017 0.001301 Si\n0.139578 0.104229 0.521619 O\n0.121720 0.703446 0.273419 O\n0.075869 0.673132 0.724030 O\n0.177853 0.137544 0.981338 O\n0.639679 0.895557 0.021613 O\n0.575774 0.326618 0.223914 O\n0.621537 0.296337 0.773288 O\n0.677902 0.862223 0.481354 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.0623093359731,
"density_atomic": 0.08335530144351345,
"volume": 167.9557239618075,
"volume_molar": 7.224664365326498,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-44360",
"created_at": "2022-09-04T14:38:08.885443Z",
"updated_at": "2022-09-04T14:38:08.885474Z",
"structure_string": "Li2 Nb2 Ni2 O8\n1.0\n5.980991 -0.000000 -0.000000\n2.990496 5.242405 -0.090135\n2.990496 1.662489 4.972631\nLi Nb Ni O\n2 2 2 8\ndirect\n0.135551 0.114450 0.114449 Li\n0.864450 0.885552 0.885550 Li\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500001 -0.000000 Nb\n0.000001 0.500001 0.499999 Ni\n0.500000 0.500001 0.499999 Ni\n0.277787 0.246825 0.246824 O\n0.264837 0.257801 0.712525 O\n0.264837 0.712527 0.257800 O\n0.728566 0.246825 0.246824 O\n0.271434 0.753177 0.753175 O\n0.735164 0.742201 0.287474 O\n0.735164 0.287475 0.742199 O\n0.722214 0.753177 0.753175 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.08927889371492886,
"volume": 156.81197892866558,
"volume_molar": 6.745312928304131,
"formula_full": "Li2 Nb2 Ni2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-29780",
"created_at": "2022-09-04T14:38:05.660127Z",
"updated_at": "2022-09-04T14:38:05.660149Z",
"structure_string": "Cd1 In1 Ga1 S4\n1.0\n4.028362 -0.000000 0.000000\n-2.014181 3.488663 -0.000000\n0.000000 0.000000 12.608231\nCd In Ga S\n1 1 1 4\ndirect\n0.000000 0.000000 0.543468 Cd\n0.333333 0.666666 0.830229 In\n0.333333 0.666666 0.261077 Ga\n0.000000 0.000000 0.343172 S\n0.666667 0.333333 0.905393 S\n0.333333 0.666666 0.626809 S\n0.333333 0.666666 0.094852 S\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.03950539178226099,
"volume": 177.19100315676891,
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"formula_full": "Cd1 In1 Ga1 S4",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7175374349999999,
"spacegroup": 156
},
{
"id": "jvasp-44721",
"created_at": "2022-09-04T14:38:09.969981Z",
"updated_at": "2022-09-04T14:38:09.969991Z",
"structure_string": "Li2 Mn2 Ni2 O8\n1.0\n5.766875 0.000000 0.000000\n2.883437 4.952762 0.039649\n2.883437 1.688303 4.656292\nLi Mn Ni O\n2 2 2 8\ndirect\n0.122077 0.127923 0.127923 Li\n0.877923 0.872076 0.872077 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000001 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265205 0.263033 0.263033 O\n0.266392 0.256306 0.710910 O\n0.266392 0.710910 0.256306 O\n0.708729 0.263033 0.263033 O\n0.291272 0.736966 0.736967 O\n0.733608 0.743693 0.289090 O\n0.733609 0.289089 0.743693 O\n0.734796 0.736966 0.736967 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.622474730888727,
"density_atomic": 0.10557528687281016,
"volume": 132.6067909895072,
"volume_molar": 5.704119721933657,
"formula_full": "Li2 Mn2 Ni2 O8",
"formula_reduced": "LiMnNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.3212176630541874,
"spacegroup": 74
},
{
"id": "jvasp-45898",
"created_at": "2022-09-04T14:38:05.091431Z",
"updated_at": "2022-09-04T14:38:05.091457Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n2.889782 -2.839497 -4.505193\n3.033306 2.916084 4.460654\n2.723463 -2.999391 4.505193\nLi Ni Sn O\n2 2 2 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.499999 0.500000 Sn\n0.229434 0.007661 0.745779 O\n0.204360 0.441516 0.292171 O\n0.245779 0.492338 0.729434 O\n0.207830 0.941516 0.295641 O\n0.792170 0.058483 0.704360 O\n0.754221 0.507661 0.270566 O\n0.795641 0.558483 0.707830 O\n0.770566 0.992338 0.254222 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.08877397003628619,
"volume": 157.70388543260515,
"volume_molar": 6.783678546243298,
"formula_full": "Li2 Ni2 Sn2 O8",
"formula_reduced": "LiNiSnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7060468714285717,
"spacegroup": 15
}
]
}