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{
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"results": [
{
"id": "jvasp-56647",
"created_at": "2022-09-04T14:38:28.581679Z",
"updated_at": "2022-09-04T14:38:28.581703Z",
"structure_string": "Ho4 Mo4 O16 F4\n1.0\n0.000000 5.201656 -0.000247\n12.270368 0.000000 0.000000\n0.000000 -2.620497 -6.117880\nHo Mo O F\n4 4 16 4\ndirect\n0.360984 0.050798 0.199850 Ho\n0.360984 0.449202 0.699850 Ho\n0.639017 0.949202 0.800150 Ho\n0.639017 0.550798 0.300150 Ho\n0.923131 0.855921 0.371158 Mo\n0.923130 0.644080 0.871158 Mo\n0.076870 0.355921 0.128843 Mo\n0.076870 0.144079 0.628843 Mo\n0.240264 0.654321 0.094831 O\n0.759737 0.154320 0.405170 O\n0.308153 0.434564 0.037630 O\n0.691848 0.934564 0.462370 O\n0.003203 0.430741 0.336657 O\n0.691848 0.565436 0.962370 O\n0.240264 0.845680 0.594831 O\n0.810143 0.778318 0.794343 O\n0.996798 0.930741 0.163343 O\n0.759736 0.345680 0.905170 O\n0.308152 0.065436 0.537630 O\n0.189858 0.221682 0.205658 O\n0.810143 0.721682 0.294343 O\n0.189857 0.278318 0.705658 O\n0.003203 0.069259 0.836657 O\n0.996798 0.569259 0.663343 O\n0.453820 0.900406 0.036402 F\n0.546181 0.400406 0.463599 F\n0.453819 0.599595 0.536402 F\n0.546181 0.099595 0.963599 F\n",
"nsites": 28,
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],
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"density_atomic": 0.07170493202035656,
"volume": 390.48917851356424,
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"formula_full": "Ho4 Mo4 O16 F4",
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{
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"created_at": "2022-09-04T14:35:45.672532Z",
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"structure_string": "Li4 Mn4 Si4 O16\n1.0\n0.000000 4.782624 -0.003677\n9.935683 0.000000 0.000000\n0.000000 -0.004677 -5.954962\nLi Mn Si O\n4 4 4 16\ndirect\n0.750038 0.294676 0.727431 Li\n0.250019 0.799467 0.772580 Li\n0.749979 0.299467 0.227421 Li\n0.249961 0.794676 0.272569 Li\n0.731731 0.023251 0.004698 Mn\n0.231739 0.070879 0.495304 Mn\n0.768260 0.570879 0.504696 Mn\n0.268268 0.523250 0.995302 Mn\n0.813033 0.703818 0.021572 Si\n0.313036 0.390310 0.478426 Si\n0.686963 0.890310 0.521574 Si\n0.186966 0.203818 0.978428 Si\n0.020689 0.124479 0.186063 O\n0.966430 0.635642 0.245485 O\n0.466437 0.458486 0.254525 O\n0.563770 0.735124 0.515598 O\n0.972852 0.399953 0.487021 O\n0.520688 0.969650 0.313934 O\n0.479310 0.469651 0.686066 O\n0.527151 0.194177 0.987014 O\n0.436229 0.235124 0.484402 O\n0.533561 0.958486 0.745476 O\n0.033568 0.135642 0.754515 O\n0.979309 0.624479 0.813937 O\n0.472847 0.694177 0.012986 O\n0.063786 0.359005 0.984406 O\n0.027146 0.899953 0.512979 O\n0.936213 0.859005 0.015594 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density_atomic": 0.09894977452579054,
"volume": 282.9718423734458,
"volume_molar": 6.086058092462225,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-86029",
"created_at": "2022-09-04T14:38:11.988557Z",
"updated_at": "2022-09-04T14:38:11.988580Z",
"structure_string": "Na2 Ca2 V2 O8\n1.0\n5.528233 0.017025 -0.000000\n-2.348746 5.004502 0.000000\n-0.000000 0.000000 7.130291\nNa Ca V O\n2 2 2 8\ndirect\n0.499999 0.499999 0.000000 Na\n0.499999 0.499999 0.500000 Na\n0.819206 0.180792 0.250000 Ca\n0.180792 0.819207 0.750000 Ca\n0.144891 0.855108 0.250000 V\n0.855107 0.144891 0.750000 V\n0.258839 0.199850 0.250000 O\n0.252518 0.747481 0.053675 O\n0.800149 0.741160 0.250000 O\n0.747480 0.252518 0.553675 O\n0.199849 0.258839 0.750000 O\n0.252518 0.747481 0.446325 O\n0.747480 0.252518 0.946325 O\n0.741159 0.800149 0.750000 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.992499839643251,
"density_atomic": 0.07086737009875123,
"volume": 197.5521312628292,
"volume_molar": 8.497762442162529,
"formula_full": "Na2 Ca2 V2 O8",
"formula_reduced": "NaCaVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-46394",
"created_at": "2022-09-04T14:38:09.485568Z",
"updated_at": "2022-09-04T14:38:09.485603Z",
"structure_string": "Li4 Mn4 B4 O16\n1.0\n4.433910 0.000000 0.000000\n0.000000 5.472424 0.000000\n0.000000 0.000000 9.402558\nLi Mn B 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\n0.989434 0.250000 0.729442 Mn\n0.510566 0.250000 0.229442 Mn\n0.489434 0.749999 0.770559 Mn\n0.010566 0.749999 0.270559 Mn\n0.561960 0.749999 0.090760 B\n0.938041 0.749999 0.590761 B\n0.061960 0.250000 0.409240 B\n0.438041 0.250000 0.909240 B\n0.244289 0.749999 0.102775 O\n0.255711 0.749999 0.602775 O\n0.680925 0.749999 0.946550 O\n0.819075 0.749999 0.446550 O\n0.775388 0.539003 0.669790 O\n0.724612 0.539003 0.169790 O\n0.224612 0.460996 0.330211 O\n0.224612 0.039003 0.330211 O\n0.744289 0.250000 0.397225 O\n0.319075 0.250000 0.053450 O\n0.755711 0.250000 0.897225 O\n0.180925 0.250000 0.553450 O\n0.775388 0.960996 0.669790 O\n0.275388 0.039003 0.830211 O\n0.275388 0.460996 0.830211 O\n0.724612 0.960996 0.169790 O\n",
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],
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"density_atomic": 0.12272849198222896,
"volume": 228.1458815940995,
"volume_molar": 4.906880759907002,
"formula_full": "Li4 Mn4 B4 O16",
"formula_reduced": "LiMnBO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"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": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"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",
"energy_above_hull": 2.644023842857144,
"spacegroup": 1
},
{
"id": "jvasp-42148",
"created_at": "2022-09-04T14:36:00.986483Z",
"updated_at": "2022-09-04T14:36:00.986512Z",
"structure_string": "Li2 V2 Ni2 O8\n1.0\n5.097519 0.008189 0.000000\n2.015791 4.682026 -0.000000\n0.000000 -0.000000 6.159695\nLi V Ni O\n2 2 2 8\ndirect\n0.335615 0.335615 0.750001 Li\n0.664385 0.664386 0.250000 Li\n0.352444 0.352445 0.250000 V\n0.647555 0.647556 0.750001 V\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.234983 0.234983 0.025379 O\n0.234983 0.234983 0.474621 O\n0.234307 0.731706 0.250000 O\n0.268296 0.765694 0.750001 O\n0.731705 0.234307 0.250000 O\n0.765693 0.268297 0.750001 O\n0.765017 0.765018 0.974621 O\n0.765017 0.765018 0.525380 O\n",
"nsites": 14,
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"elements": [
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"Ni",
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],
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"density_atomic": 0.09529643075945299,
"volume": 146.91001424112898,
"volume_molar": 6.319377034383453,
"formula_full": "Li2 V2 Ni2 O8",
"formula_reduced": "LiVNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2741958,
"spacegroup": 63
},
{
"id": "jvasp-48084",
"created_at": "2022-09-04T14:38:28.006608Z",
"updated_at": "2022-09-04T14:38:28.006639Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n4.962793 -0.000129 -0.003328\n0.000641 5.508068 0.000115\n0.038002 0.001573 6.061036\nLi Co Si O\n2 2 2 8\ndirect\n0.023075 0.338125 0.253845 Li\n0.523165 0.661871 0.753941 Li\n0.522963 0.171645 -0.000087 Co\n0.023035 0.828310 0.500048 Co\n0.018383 0.840067 0.003119 Si\n0.518362 0.159953 0.503005 Si\n0.149760 0.115652 0.023733 O\n0.687358 0.864101 0.984743 O\n0.089561 0.679496 0.226372 O\n0.633048 0.291715 0.276088 O\n0.187340 0.135875 0.484690 O\n0.649819 0.884374 0.523779 O\n0.589525 0.320523 0.726179 O\n0.133130 0.708290 0.776290 O\n",
"nsites": 14,
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"O"
],
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"density": 3.166245884682189,
"density_atomic": 0.08449945210470558,
"volume": 165.6815476466311,
"volume_molar": 7.126840009018994,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-44754",
"created_at": "2022-09-04T14:38:07.730717Z",
"updated_at": "2022-09-04T14:38:07.730747Z",
"structure_string": "Li2 Mn2 Cu2 O8\n1.0\n5.717924 0.000306 0.000259\n-0.000620 5.837567 -0.001994\n-2.858778 -2.917500 4.173627\nLi Mn Cu O\n2 2 2 8\ndirect\n0.619882 0.869897 0.739766 Li\n0.380118 0.130106 0.260236 Li\n0.000000 0.500001 0.000001 Mn\n0.500000 0.500001 0.000001 Mn\n0.000000 0.500001 0.500001 Cu\n0.000000 0.000000 0.500000 Cu\n0.208256 0.726276 0.452557 O\n0.753257 0.284789 0.006530 O\n0.753299 0.721785 0.006582 O\n0.744297 0.726262 0.452556 O\n0.255703 0.273740 0.547446 O\n0.246744 0.715213 -0.006529 O\n0.246701 0.278218 0.993420 O\n0.791744 0.273726 0.547445 O\n",
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"density_atomic": 0.10051580848721306,
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"formula_full": "Li2 Mn2 Cu2 O8",
"formula_reduced": "LiMnCuO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-121975",
"created_at": "2022-09-04T14:38:54.250046Z",
"updated_at": "2022-09-04T14:38:54.250072Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n7.133432 0.000000 0.000000\n-0.000000 4.770347 2.377515\n-0.000000 -0.024519 5.376199\nNa Ca Si O\n2 2 2 8\ndirect\n0.750000 0.683985 0.689640 Na\n0.250000 0.316016 0.310359 Na\n0.500000 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.624224 0.659454 Si\n0.750000 0.375776 0.340545 Si\n0.250000 0.288163 0.756034 O\n0.750000 0.711838 0.243965 O\n0.750000 0.195660 0.678169 O\n0.250000 0.804341 0.321830 O\n0.439706 0.709372 0.783819 O\n0.939706 0.290629 0.216180 O\n0.560293 0.290629 0.216180 O\n0.060293 0.709372 0.783819 O\n",
"nsites": 14,
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],
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"density_atomic": 0.07635160467192333,
"volume": 183.36222349427845,
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"formula_full": "Na2 Ca2 Si2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 11
},
{
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"created_at": "2022-09-04T14:37:19.902953Z",
"updated_at": "2022-09-04T14:37:19.902968Z",
"structure_string": "Li1 Co1 P1 O4\n1.0\n-0.000000 4.747259 0.000000\n2.373630 -2.373630 3.706759\n4.747259 0.000000 -0.000000\nLi Co P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.750000 0.500000 0.750000 P\n0.440273 0.262330 0.059194 O\n0.678476 0.737670 0.440273 O\n0.822058 0.262330 0.678476 O\n0.059194 0.737670 0.822057 O\n",
"nsites": 7,
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],
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"density": 3.1972600614544797,
"density_atomic": 0.08379494809509293,
"volume": 83.5372556357001,
"volume_molar": 7.186758744889848,
"formula_full": "Li1 Co1 P1 O4",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-42732",
"created_at": "2022-09-04T14:37:30.010166Z",
"updated_at": "2022-09-04T14:37:30.010186Z",
"structure_string": "Li2 V2 O2 F8\n1.0\n0.000000 4.078577 -0.000970\n9.511135 0.000000 0.000000\n0.000000 -2.040056 -4.740477\nLi V O F\n2 2 2 8\ndirect\n0.745111 0.508791 0.988215 Li\n0.254889 0.008792 0.011785 Li\n0.848914 0.258738 0.499266 V\n0.151086 0.758738 0.500734 V\n0.757007 0.758719 0.500813 O\n0.242993 0.258720 0.499187 O\n0.627737 0.123161 0.236961 F\n0.624130 0.390054 0.226326 F\n0.896923 0.127423 0.772188 F\n0.890087 0.394347 0.761525 F\n0.109913 0.894346 0.238475 F\n0.103077 0.627423 0.227813 F\n0.375871 0.890054 0.773675 F\n0.372263 0.623161 0.763039 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.7064641092584987,
"density_atomic": 0.07612381282496354,
"volume": 183.91091408139414,
"volume_molar": 7.910981513560156,
"formula_full": "Li2 V2 O2 F8",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7055298328571434,
"spacegroup": 20
},
{
"id": "jvasp-34492",
"created_at": "2022-09-04T14:37:17.376145Z",
"updated_at": "2022-09-04T14:37:17.376177Z",
"structure_string": "K2 Na2 S2 O8\n1.0\n2.795717 -4.842323 0.000000\n2.795717 4.842323 -0.000000\n0.000000 0.000000 7.152087\nK Na S O\n2 2 2 8\ndirect\n0.333334 0.666667 0.660487 K\n0.666667 0.333334 0.339514 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333334 0.666667 0.215126 S\n0.666667 0.333334 0.784875 S\n0.811423 0.622845 0.710678 O\n0.622845 0.811423 0.289323 O\n0.188578 0.377156 0.289323 O\n0.377156 0.188578 0.710678 O\n0.666667 0.333334 0.988645 O\n0.811422 0.188579 0.710678 O\n0.188579 0.811422 0.289323 O\n0.333334 0.666667 0.011355 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "K-Na-O-S",
"density": 2.712316591453807,
"density_atomic": 0.07229666915478535,
"volume": 193.6465422774368,
"volume_molar": 8.329762394871539,
"formula_full": "K2 Na2 S2 O8",
"formula_reduced": "KNaSO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 164
}
]
}