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{
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{
"id": "jvasp-120527",
"created_at": "2022-09-04T14:38:44.972279Z",
"updated_at": "2022-09-04T14:38:44.972304Z",
"structure_string": "K1 Nb4 Ag1 P2 S20\n1.0\n6.862990 -0.085378 1.683178\n0.072566 7.130391 0.051369\n-0.046977 -0.004076 13.067677\nK Nb Ag P S\n1 4 1 2 20\ndirect\n0.575119 0.497952 0.418166 K\n0.003989 0.070075 0.894425 Nb\n0.994831 0.935452 0.105596 Nb\n0.003292 0.064548 0.605987 Nb\n0.996505 0.930385 0.396955 Nb\n0.506581 0.501605 0.996532 Ag\n0.789052 0.394866 0.774447 P\n0.207472 0.607340 0.222090 P\n0.452156 0.450371 0.190520 S\n0.958209 0.430937 0.882423 S\n0.034736 0.573017 0.116874 S\n0.282460 0.903913 0.480957 S\n0.232072 0.172286 0.434630 S\n0.715779 0.086009 0.523676 S\n0.544574 0.549798 0.803722 S\n0.768927 0.816763 0.567919 S\n0.221814 0.184380 0.008952 S\n0.287445 0.917840 0.951599 S\n0.869553 0.150209 0.268761 S\n0.132683 0.852165 0.735452 S\n0.953609 0.427357 0.621653 S\n0.711615 0.088034 0.049392 S\n0.260834 0.897147 0.217213 S\n0.738209 0.103266 0.783382 S\n0.737473 0.889593 0.283117 S\n0.260592 0.115215 0.716829 S\n0.776559 0.821597 0.991524 S\n0.052459 0.567667 0.376914 S\n",
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],
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"density_atomic": 0.043741581993994944,
"volume": 640.1231671009059,
"volume_molar": 13.76754220006663,
"formula_full": "K1 Nb4 Ag1 P2 S20",
"formula_reduced": "KNb4Ag(PS10)2",
"formula_anonymous": "ABC2D4E20",
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{
"id": "jvasp-113173",
"created_at": "2022-09-04T14:38:44.912687Z",
"updated_at": "2022-09-04T14:38:44.912707Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.250452 -0.080429 -0.000000\n0.748302 9.388261 -0.000001\n-0.000000 -0.000001 6.114365\nLi Mn P O\n4 4 4 16\ndirect\n0.169206 0.927938 0.640924 Li\n0.330792 0.572062 0.140924 Li\n0.669206 0.427938 0.859077 Li\n0.830792 0.072062 0.359076 Li\n0.222868 0.330518 0.609004 Mn\n0.277130 0.169482 0.109003 Mn\n0.722868 0.830518 0.890997 Mn\n0.777130 0.669482 0.390998 Mn\n0.260568 0.633432 0.651749 P\n0.239431 0.866568 0.151748 P\n0.760567 0.133432 0.848252 P\n0.739432 0.366568 0.348253 P\n0.485832 0.763560 0.165415 O\n0.492284 0.729192 0.646418 O\n0.507717 0.270808 0.353583 O\n0.785194 0.023355 0.660205 O\n0.261779 0.953305 0.938249 O\n0.214805 0.976644 0.339795 O\n0.285194 0.523355 0.839795 O\n0.992283 0.229192 0.853583 O\n0.985831 0.263560 0.334586 O\n0.014169 0.736440 0.665415 O\n0.714805 0.476644 0.160205 O\n0.761779 0.453305 0.561751 O\n0.738219 0.046695 0.061751 O\n0.007716 0.770808 0.146417 O\n0.238219 0.546695 0.438249 O\n0.514169 0.236440 0.834587 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"P",
"O"
],
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"density_atomic": 0.0927886557579234,
"volume": 301.761026402293,
"volume_molar": 6.490169203131017,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-112848",
"created_at": "2022-09-04T14:38:44.873635Z",
"updated_at": "2022-09-04T14:38:44.873661Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.812650 0.045363 0.216469\n-2.747493 5.132120 -0.014689\n-0.050221 -0.001415 9.688529\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.341239 0.681674 0.904635 Li\n0.980218 0.992914 0.993731 Li\n0.995097 0.991059 0.485354 Li\n0.680833 0.327257 0.404117 Li\n0.655408 0.832701 0.221632 Mn\n0.830899 0.661910 0.714369 Mn\n0.826368 0.161778 0.716864 Mn\n0.317658 0.637705 0.488142 Nb\n0.657101 0.343862 0.994873 Nb\n0.337928 0.166155 0.714349 Cu\n0.164424 0.831074 0.212582 Cu\n0.162138 0.336931 0.207674 Cu\n0.315226 0.193395 0.066749 O\n0.823717 0.667576 0.098734 O\n0.685800 0.346337 0.615174 O\n0.532549 0.046306 0.834620 O\n0.557206 0.532198 0.841271 O\n0.680984 0.845821 0.608335 O\n0.551864 0.566469 0.355807 O\n0.044174 0.483939 0.359405 O\n0.159146 0.313143 0.599569 O\n0.987821 0.986696 0.805527 O\n0.988361 0.003373 0.296591 O\n0.348139 0.672361 0.120024 O\n0.967059 0.476286 0.828853 O\n0.140548 0.804983 0.587553 O\n0.489614 0.966093 0.342616 O\n0.778493 0.130307 0.088690 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Mn",
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"Cu",
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],
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"density": 4.71942487772171,
"density_atomic": 0.09645703450266743,
"volume": 290.2846862789016,
"volume_molar": 6.24334014729995,
"formula_full": "Li4 Mn3 Nb2 Cu3 O16",
"formula_reduced": "Li4Mn3Nb2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 1
},
{
"id": "jvasp-116884",
"created_at": "2022-09-04T14:38:44.872913Z",
"updated_at": "2022-09-04T14:38:44.872940Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.006858 -0.000000 0.000000\n0.000000 6.275739 0.000000\n-0.000000 -0.000000 10.641255\nLi Fe Si O\n4 4 4 16\ndirect\n0.153333 0.711041 0.167259 Li\n0.346667 0.711041 0.667260 Li\n0.653333 0.211041 0.332741 Li\n0.846667 0.211041 0.832741 Li\n0.156449 0.960955 0.418862 Fe\n0.343551 0.960955 0.918862 Fe\n0.656449 0.460955 0.081139 Fe\n0.843552 0.460955 0.581139 Fe\n0.848256 0.707793 0.834610 Si\n0.651744 0.707793 0.334610 Si\n0.348256 0.207793 0.665391 Si\n0.151744 0.207793 0.165391 Si\n0.785171 0.925512 0.395015 O\n0.764185 0.492219 0.913773 O\n0.735816 0.492219 0.413773 O\n0.714830 0.925512 0.895015 O\n0.739443 0.684526 0.688917 O\n0.675576 0.232367 0.664201 O\n0.324424 0.732367 0.335799 O\n0.239443 0.184526 0.811084 O\n0.285171 0.425511 0.104986 O\n0.264184 0.992219 0.586227 O\n0.235816 0.992219 0.086227 O\n0.214829 0.425511 0.604986 O\n0.760558 0.684526 0.188917 O\n0.175576 0.732367 0.835799 O\n0.260557 0.184526 0.311083 O\n0.824424 0.232367 0.164201 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.076457109985726,
"density_atomic": 0.08374040034705135,
"volume": 334.3666842283723,
"volume_molar": 7.191440135277607,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4369668714285715,
"spacegroup": 33
},
{
"id": "jvasp-116883",
"created_at": "2022-09-04T14:38:44.826700Z",
"updated_at": "2022-09-04T14:38:44.826725Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n5.782074 -0.063117 0.247162\n1.020904 6.160308 1.474202\n-0.204495 -0.133242 9.336016\nLi V Si O\n4 4 4 16\ndirect\n0.592886 0.877744 0.751827 Li\n0.440557 0.661782 0.331174 Li\n0.559441 0.338218 0.668826 Li\n0.407112 0.122257 0.248173 Li\n0.986041 0.927642 0.294353 V\n0.813195 0.635550 0.076577 V\n0.186803 0.364450 0.923423 V\n0.013957 0.072358 0.705648 V\n0.847392 0.290712 0.382148 Si\n0.714897 0.167227 0.992662 Si\n0.285101 0.832773 0.007338 Si\n0.152606 0.709288 0.617852 Si\n0.103541 0.182452 0.326833 O\n0.186127 0.059982 0.890183 O\n0.885158 0.347391 0.009774 O\n0.839516 0.302110 0.555883 O\n0.710739 0.138291 0.824207 O\n0.247399 0.464215 0.716575 O\n0.752598 0.535785 0.283425 O\n0.304363 0.892258 0.650090 O\n0.160482 0.697890 0.444117 O\n0.114840 0.652609 0.990226 O\n0.813871 0.940018 0.109817 O\n0.896457 0.817548 0.673167 O\n0.695635 0.107743 0.349910 O\n0.544505 0.733624 0.955785 O\n0.289259 0.861709 0.175793 O\n0.455493 0.266377 0.044216 O\n",
"nsites": 28,
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"elements": [
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"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
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"density_atomic": 0.08368776578014697,
"volume": 334.5769807448052,
"volume_molar": 7.195963118217953,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5441081142857147,
"spacegroup": 2
},
{
"id": "jvasp-112846",
"created_at": "2022-09-04T14:38:44.823157Z",
"updated_at": "2022-09-04T14:38:44.823194Z",
"structure_string": "Li4 Fe1 Ni3 P4 O16\n1.0\n5.913129 -0.000000 0.000000\n0.000000 4.693996 0.007303\n-0.000000 0.010344 10.079190\nLi Fe Ni P O\n4 1 3 4 16\ndirect\n0.250924 -0.001089 0.996546 Li\n0.749076 -0.001089 0.996546 Li\n0.746857 0.500956 0.505390 Li\n0.253143 0.500956 0.505390 Li\n-0.000000 0.977999 0.278322 Fe\n0.500000 0.016889 0.725473 Ni\n0.500000 0.478176 0.222608 Ni\n-0.000000 0.519560 0.775502 Ni\n0.500000 0.923581 0.406681 P\n0.500000 0.579235 0.905827 P\n-0.000000 0.416034 0.091141 P\n-0.000000 0.082375 0.595933 P\n0.708646 0.786030 0.333808 O\n-0.000000 0.755627 0.596667 O\n-0.000000 0.742263 0.095488 O\n0.291737 0.721365 0.834266 O\n0.708263 0.721365 0.834266 O\n0.500000 0.702143 0.049010 O\n-0.000000 0.292086 0.948637 O\n0.209234 0.222474 0.666032 O\n0.206764 0.274687 0.164347 O\n0.500000 0.252500 0.903104 O\n0.500000 0.249899 0.403950 O\n0.790766 0.222474 0.666032 O\n0.291354 0.786030 0.333808 O\n-0.000000 0.207296 0.452150 O\n0.793236 0.274687 0.164347 O\n0.500000 0.795488 0.548728 O\n",
"nsites": 28,
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"elements": [
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"Fe",
"Ni",
"P",
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],
"chemical_system": "Fe-Li-Ni-O-P",
"density": 3.7962545946020216,
"density_atomic": 0.10008592883546197,
"volume": 279.7596058286185,
"volume_molar": 6.016970447364489,
"formula_full": "Li4 Fe1 Ni3 P4 O16",
"formula_reduced": "Li4FeNi3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.6688896678571425,
"spacegroup": 6
},
{
"id": "jvasp-116732",
"created_at": "2022-09-04T14:38:44.740952Z",
"updated_at": "2022-09-04T14:38:44.740977Z",
"structure_string": "Na12 Fe4 O12\n1.0\n5.740055 0.024936 0.040766\n-2.438874 5.275413 -0.024774\n-0.091623 0.018119 12.597118\nNa Fe O\n12 4 12\ndirect\n0.860660 0.307608 0.778702 Na\n0.639340 0.192407 0.278691 Na\n0.238830 0.782108 0.484093 Na\n0.360641 0.807619 0.721308 Na\n0.738866 0.282083 0.015928 Na\n0.761186 0.217900 0.515903 Na\n0.295979 0.360188 0.597869 Na\n0.204043 0.139795 0.097866 Na\n0.704024 0.639811 0.402137 Na\n0.795993 0.860191 0.902129 Na\n0.261169 0.717883 0.984090 Na\n0.139344 0.692398 0.221300 Na\n0.826349 0.743155 0.663087 Fe\n0.673621 0.756836 0.163071 Fe\n0.173635 0.256840 0.336912 Fe\n0.326377 0.243174 0.836928 Fe\n0.578252 0.549011 0.772287 O\n0.921730 0.950965 0.272288 O\n0.421723 0.450994 0.227705 O\n0.078258 0.049016 0.727719 O\n0.500508 0.953670 0.126841 O\n-0.000560 0.546342 0.626837 O\n0.120120 0.300309 0.938605 O\n0.379930 0.199714 0.438601 O\n0.879903 0.699698 0.061404 O\n0.620074 0.800279 0.561392 O\n0.499489 0.046348 0.873164 O\n0.000545 0.453660 0.373154 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.002934522879035,
"density_atomic": 0.0732520246102999,
"volume": 382.2419946610314,
"volume_molar": 8.221125343685355,
"formula_full": "Na12 Fe4 O12",
"formula_reduced": "Na3FeO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.1661232857142858,
"spacegroup": 14
},
{
"id": "jvasp-113155",
"created_at": "2022-09-04T14:38:44.724381Z",
"updated_at": "2022-09-04T14:38:44.724410Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.066527 0.003847 2.956016\n1.703326 9.514157 -2.930968\n-0.027304 0.003486 5.865831\nLi Ti Cr O\n4 2 6 16\ndirect\n0.937725 0.186848 0.124543 Li\n0.437698 0.686850 0.124567 Li\n0.562300 0.313151 0.875435 Li\n0.062280 0.813153 0.875455 Li\n0.749998 0.750001 0.500002 Ti\n0.250003 0.250000 0.499997 Ti\n-0.000002 0.500000 0.500001 Cr\n0.000002 0.000000 0.499999 Cr\n0.500000 0.500001 0.500001 Cr\n-0.000003 0.500000 0.000002 Cr\n0.500003 0.000001 0.499999 Cr\n0.500002 0.000001 -0.000001 Cr\n0.095968 0.618786 0.261428 O\n0.357389 0.381223 0.738597 O\n0.857391 0.881223 0.738597 O\n0.904032 0.381214 0.738573 O\n0.404021 0.881217 0.738583 O\n0.595984 0.118785 0.261416 O\n0.142615 0.118777 0.261400 O\n0.368438 0.894699 0.263114 O\n0.142638 0.118789 0.714750 O\n0.642626 0.618789 0.714764 O\n0.131567 0.605302 0.736882 O\n0.631568 0.105301 0.736882 O\n0.857367 0.881211 0.285247 O\n0.868430 0.394699 0.263121 O\n0.642609 0.618779 0.261406 O\n0.357371 0.381212 0.285239 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 4.049332690028529,
"density_atomic": 0.0987466091055593,
"volume": 283.554040524756,
"volume_molar": 6.098579803952947,
"formula_full": "Li4 Ti2 Cr6 O16",
"formula_reduced": "Li2TiCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.255489895238096,
"spacegroup": 166
},
{
"id": "jvasp-113019",
"created_at": "2022-09-04T14:38:44.789321Z",
"updated_at": "2022-09-04T14:38:44.789342Z",
"structure_string": "K2 Cd2 P6 O18\n1.0\n6.806659 -0.000000 0.000000\n-3.403329 5.894740 0.000000\n-0.000000 -0.000000 10.174247\nK Cd P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 -0.000000 Cd\n0.666667 0.333333 0.500000 Cd\n0.062533 0.433541 0.750000 P\n0.062533 0.628993 0.250000 P\n0.566459 0.628993 0.750000 P\n0.566459 0.937467 0.250000 P\n0.371007 0.433541 0.250000 P\n0.371007 0.937467 0.750000 P\n0.380928 0.054275 0.876662 O\n0.301838 0.864062 0.250000 O\n0.135938 0.698162 0.750000 O\n0.562224 0.698162 0.250000 O\n0.135938 0.437776 0.250000 O\n0.673347 0.619072 0.876662 O\n0.673347 0.619072 0.623338 O\n0.673347 0.054275 0.376662 O\n0.945725 0.326653 0.623338 O\n0.380928 0.054275 0.623338 O\n0.380928 0.326653 0.376662 O\n0.673347 0.054275 0.123338 O\n0.562224 0.864062 0.750000 O\n0.945725 0.619072 0.376662 O\n0.380928 0.326653 0.123338 O\n0.945725 0.619072 0.123338 O\n0.945725 0.326653 0.876662 O\n0.301838 0.437776 0.750000 O\n",
"nsites": 28,
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"elements": [
"K",
"Cd",
"P",
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],
"chemical_system": "Cd-K-O-P",
"density": 3.159988851930981,
"density_atomic": 0.0685894161922592,
"volume": 408.22624764023,
"volume_molar": 8.779985447200296,
"formula_full": "K2 Cd2 P6 O18",
"formula_reduced": "KCd(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.2982575535714287,
"spacegroup": 188
},
{
"id": "jvasp-116694",
"created_at": "2022-09-04T14:38:44.671559Z",
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