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{
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"results": [
{
"id": "jvasp-47444",
"created_at": "2022-09-04T14:38:02.931456Z",
"updated_at": "2022-09-04T14:38:02.931465Z",
"structure_string": "Li2 V1 Cr1 P2 H2 O10\n1.0\n5.118740 0.008870 -0.018283\n-0.725031 5.288531 -0.003858\n-2.350853 -2.377691 6.440414\nLi V Cr P H O\n2 1 1 2 2 10\ndirect\n0.746574 0.390553 0.822831 Li\n0.253426 0.609447 0.177168 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Cr\n0.679496 0.366404 0.233078 P\n0.320504 0.633596 0.766921 P\n0.364698 0.071148 0.351019 H\n0.635303 0.928852 0.648980 H\n0.687432 0.665308 0.336353 O\n0.628626 0.753006 0.931703 O\n0.107814 0.654548 0.879924 O\n0.892187 0.345452 0.120076 O\n0.835876 0.040526 0.719919 O\n0.312569 0.334692 0.663647 O\n0.736613 0.216960 0.390474 O\n0.263388 0.783040 0.609525 O\n0.371375 0.246994 0.068297 O\n0.164125 0.959474 0.280081 O\n",
"nsites": 18,
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"elements": [
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"V",
"Cr",
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"volume": 174.08169043548273,
"volume_molar": 5.8241357974512376,
"formula_full": "Li2 V1 Cr1 P2 H2 O10",
"formula_reduced": "Li2VCrP2(HO5)2",
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{
"id": "jvasp-112554",
"created_at": "2022-09-04T14:38:42.173594Z",
"updated_at": "2022-09-04T14:38:42.173604Z",
"structure_string": "Na2 Ca2 Be4 B4 O12 F2\n1.0\n4.645623 0.006918 0.006006\n-2.326351 4.021189 0.006006\n0.011625 0.020190 14.149572\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.110851 0.119690 0.362721 Na\n0.119689 0.110851 0.862721 Na\n0.114577 0.096296 0.611792 Ca\n0.096296 0.114578 0.111793 Ca\n0.740945 0.421396 0.474075 Be\n0.421395 0.740946 0.974075 Be\n0.792115 0.428663 0.249035 Be\n0.428662 0.792116 0.749035 Be\n0.771765 0.408249 0.000555 B\n0.408248 0.771765 0.500555 B\n0.475678 0.780417 0.222804 B\n0.780416 0.475679 0.722804 B\n0.747942 0.755679 0.731701 O\n0.089778 0.525450 0.695494 O\n0.525450 0.089779 0.195494 O\n0.505359 0.167635 0.735857 O\n0.167634 0.505360 0.235857 O\n0.755678 0.747944 0.231701 O\n0.444103 0.495356 0.495572 O\n0.099977 0.742468 0.485732 O\n0.079870 0.671758 0.025186 O\n0.671757 0.079871 0.525186 O\n0.495354 0.444104 0.995572 O\n0.742466 0.099978 0.985732 O\n0.698875 0.311705 0.361076 F\n0.311704 0.698876 0.861076 F\n",
"nsites": 26,
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"elements": [
"Na",
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"Be",
"B",
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"F"
],
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"density": 2.7330115023065726,
"density_atomic": 0.09827871243413863,
"volume": 264.5537304675605,
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"formula_full": "Na2 Ca2 Be4 B4 O12 F2",
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{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"K",
"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
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},
{
"id": "jvasp-62434",
"created_at": "2022-09-04T14:35:58.577582Z",
"updated_at": "2022-09-04T14:35:58.577607Z",
"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335809 4.335810 4.469804\n4.335809 -4.335810 4.469804\n4.335810 4.335809 -4.469804\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.985175 0.028024 0.650905 Na\n0.377119 0.334270 0.349095 Na\n0.971975 0.622880 0.957151 Na\n0.665729 0.014824 0.042849 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.749684 0.509564 0.267965 Si\n0.241600 0.481719 0.732035 Si\n0.518281 0.250316 0.759881 Si\n0.490435 0.758400 0.240119 Si\n0.000000 0.000000 0.000000 Cl\n0.410749 0.693816 0.982198 O\n0.571448 0.589250 0.283066 O\n0.690295 0.996920 0.389168 O\n0.698872 0.309704 0.306625 O\n0.003080 0.392247 0.693375 O\n0.990084 0.717170 0.433443 O\n0.283726 0.556641 0.566557 O\n0.282829 0.716273 0.272914 O\n0.443359 0.009916 0.727086 O\n0.306184 0.288382 0.716934 O\n0.711617 0.428551 0.017802 O\n0.607753 0.301127 0.610832 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
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"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Be-Cl-Na-O-Si",
"density": 2.3108156886877125,
"density_atomic": 0.06842880876018505,
"volume": 336.11574447548224,
"volume_molar": 8.800592716884985,
"formula_full": "Na4 Be1 Al1 Si4 Cl1 O12",
"formula_reduced": "Na4BeAlSi4ClO12",
"formula_anonymous": "ABCD4E4F12",
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"spacegroup": 82
},
{
"id": "jvasp-46750",
"created_at": "2022-09-04T14:38:07.978429Z",
"updated_at": "2022-09-04T14:38:07.978452Z",
"structure_string": "Li6 Mn1 Fe1 P2 C2 O14\n1.0\n0.000000 4.955103 0.108426\n6.379768 0.000000 0.000000\n0.000000 -0.854121 -8.539821\nLi Mn Fe P C O\n6 1 1 2 2 14\ndirect\n0.803940 0.500000 0.897173 Li\n0.270846 0.262285 0.731902 Li\n0.270846 0.737715 0.731902 Li\n0.729938 0.766588 0.267956 Li\n0.729938 0.233412 0.267956 Li\n0.195251 0.000000 0.104799 Li\n0.223615 0.500000 0.341463 Mn\n0.786162 0.000000 0.665724 Fe\n0.261475 0.000000 0.407335 P\n0.735066 0.500000 0.593951 P\n0.665023 0.000000 0.960391 C\n0.337344 0.500000 0.036813 C\n0.521582 0.500000 0.159829 O\n0.149446 0.812497 0.302527 O\n0.149446 0.187504 0.302527 O\n0.824539 0.500000 0.429317 O\n0.579141 0.000000 0.426600 O\n0.418247 0.500000 0.578381 O\n0.916927 0.000000 0.938162 O\n0.848019 0.689265 0.696805 O\n0.848019 0.310735 0.696805 O\n0.483946 0.000000 0.835729 O\n0.410826 0.500000 0.896603 O\n0.589475 0.000000 0.099834 O\n0.164807 0.000000 0.570156 O\n0.086131 0.500000 0.059352 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "C-Fe-Li-Mn-O-P",
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"density_atomic": 0.0965202667631692,
"volume": 269.3734784612224,
"volume_molar": 6.239250016555037,
"formula_full": "Li6 Mn1 Fe1 P2 C2 O14",
"formula_reduced": "Li6MnFeP2(CO7)2",
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},
{
"id": "jvasp-46753",
"created_at": "2022-09-04T14:38:01.738129Z",
"updated_at": "2022-09-04T14:38:01.738158Z",
"structure_string": "Li6 V1 Cr1 P2 C2 O14\n1.0\n0.000000 4.920043 0.064383\n6.416994 0.000000 0.000000\n0.000000 -0.792397 -8.556945\nLi V Cr P C O\n6 1 1 2 2 14\ndirect\n0.806239 0.000000 0.896359 Li\n0.278073 0.765988 0.727676 Li\n0.278073 0.234011 0.727676 Li\n0.723815 0.271867 0.271909 Li\n0.723815 0.728132 0.271909 Li\n0.197961 0.500000 0.113950 Li\n0.205288 0.000000 0.326984 V\n0.802542 0.500000 0.667697 Cr\n0.259893 0.500000 0.406131 P\n0.731913 0.000000 0.589769 P\n0.677135 0.500000 0.962578 C\n0.332964 0.000000 0.040657 C\n0.514281 0.000000 0.163292 O\n0.141080 0.314300 0.304882 O\n0.141080 0.685699 0.304882 O\n0.832409 0.000000 0.427387 O\n0.575471 0.500000 0.416042 O\n0.413022 0.000000 0.570603 O\n0.934076 0.500000 0.951370 O\n0.842783 0.187347 0.694201 O\n0.842783 0.812653 0.694201 O\n0.511775 0.500000 0.831218 O\n0.404200 0.000000 0.900014 O\n0.579584 0.500000 0.096511 O\n0.169960 0.500000 0.572940 O\n0.079771 0.000000 0.069159 O\n",
"nsites": 26,
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"elements": [
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],
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"density_atomic": 0.09635642254440177,
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"formula_full": "Li6 V1 Cr1 P2 C2 O14",
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{
"id": "jvasp-97901",
"created_at": "2022-09-04T14:35:59.432515Z",
"updated_at": "2022-09-04T14:35:59.432535Z",
"structure_string": "Na4 H8 C4 S4 O16 F12\n1.0\n6.741793 0.000000 0.000000\n0.000000 9.348771 -3.502765\n0.000000 -0.885218 10.268317\nNa H C S O F\n4 8 4 4 16 12\ndirect\n0.019589 0.544388 0.751274 Na\n0.480411 0.544388 0.251274 Na\n0.980411 0.455612 0.248727 Na\n0.519589 0.455612 0.748727 Na\n0.814386 0.741849 0.322229 H\n0.201519 0.266936 0.609925 H\n0.314387 0.258150 0.177771 H\n0.701519 0.733063 0.890075 H\n0.185613 0.258150 0.677771 H\n0.298481 0.266937 0.109925 H\n0.798481 0.733063 0.390075 H\n0.685613 0.741849 0.822230 H\n0.814495 0.107076 0.882508 C\n0.185504 0.892924 0.117493 C\n0.314496 0.892924 0.617493 C\n0.685504 0.107076 0.382508 C\n0.708777 0.294860 0.925994 S\n0.208777 0.705140 0.574007 S\n0.291223 0.705140 0.074007 S\n0.791223 0.294860 0.425994 S\n0.025676 0.727266 0.652854 O\n0.797003 0.368404 0.581322 O\n-0.025676 0.272734 0.347147 O\n0.118783 0.648540 0.138985 O\n0.525676 0.272734 0.847147 O\n0.202996 0.631596 0.418678 O\n0.796752 0.506223 0.897609 O\n0.703247 0.506223 0.397609 O\n0.296753 0.493777 0.602392 O\n0.702996 0.368404 0.081322 O\n0.297004 0.631596 0.918678 O\n0.881216 0.351460 0.861015 O\n0.474324 0.727266 0.152854 O\n0.618783 0.351460 0.361015 O\n0.203247 0.493777 0.102392 O\n0.381216 0.648540 0.638985 O\n0.494558 0.879656 0.555425 F\n0.505442 0.120344 0.444576 F\n0.189895 0.962358 0.563729 F\n0.994558 0.120344 0.944576 F\n0.810104 0.037642 0.436272 F\n0.168729 0.972441 0.260681 F\n0.310104 0.962358 0.063729 F\n0.689895 0.037641 0.936272 F\n0.331271 0.972441 0.760681 F\n0.831270 0.027559 0.739320 F\n0.005442 0.879656 0.055425 F\n0.668729 0.027559 0.239320 F\n",
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"elements": [
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],
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"formula_full": "Na4 H8 C4 S4 O16 F12",
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},
{
"id": "jvasp-98057",
"created_at": "2022-09-04T14:36:12.470525Z",
"updated_at": "2022-09-04T14:36:12.470545Z",
"structure_string": "Ba1 Y6 Si3 B6 O24 F2\n1.0\n10.683737 0.000000 0.000000\n-5.341869 9.252388 -0.000000\n-0.000000 -0.000000 4.700316\nBa Y Si B O F\n1 6 3 6 24 2\ndirect\n0.000000 0.000000 0.014924 Ba\n0.569585 0.784793 0.953354 Y\n0.215207 0.784792 0.953354 Y\n0.215209 0.430416 0.953354 Y\n0.784018 0.215985 -0.000005 Y\n0.784016 0.568033 -0.000005 Y\n0.431967 0.215982 -0.000005 Y\n0.492570 0.507431 0.402536 Si\n0.014862 0.507431 0.402536 Si\n0.492569 0.985139 0.402536 Si\n0.999751 0.749754 0.482298 B\n0.250246 0.000246 0.482298 B\n0.750003 0.000250 0.482298 B\n0.999754 0.250000 0.482298 B\n0.750000 0.749754 0.482298 B\n0.250247 0.249997 0.482298 B\n0.002082 0.263203 0.179576 O\n0.855352 0.144650 0.596990 O\n0.569690 0.430310 0.232865 O\n0.148689 0.574345 0.181847 O\n0.736797 0.738879 0.179576 O\n0.261121 0.997918 0.179576 O\n0.109577 0.219151 0.604238 O\n0.855350 0.710702 0.596990 O\n0.607717 0.634596 0.625987 O\n0.261121 0.263200 0.179576 O\n0.365404 0.973121 0.625987 O\n0.780849 0.890426 0.604238 O\n0.109574 0.890424 0.604238 O\n0.607720 0.973125 0.625987 O\n0.002079 0.738879 0.179576 O\n0.425655 0.574344 0.181847 O\n0.860621 0.430311 0.232865 O\n0.365405 0.392280 0.625987 O\n0.736800 0.997922 0.179576 O\n0.569690 0.139379 0.232865 O\n0.289298 0.144648 0.596990 O\n0.026875 0.634595 0.625987 O\n0.425656 0.851311 0.181847 O\n0.026879 0.392283 0.625987 O\n0.333333 0.666667 0.741971 F\n0.666667 0.333333 0.793380 F\n",
"nsites": 42,
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"elements": [
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],
"chemical_system": "B-Ba-F-O-Si-Y",
"density": 4.4383352638923865,
"density_atomic": 0.09039516646874288,
"volume": 464.6266126908776,
"volume_molar": 6.662016339205875,
"formula_full": "Ba1 Y6 Si3 B6 O24 F2",
"formula_reduced": "BaY6Si3B6(O12F)2",
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},
{
"id": "jvasp-42567",
"created_at": "2022-09-04T14:36:12.966899Z",
"updated_at": "2022-09-04T14:36:12.966925Z",
"structure_string": "Li2 Mg2 Mn1 Fe1 P4 O16\n1.0\n4.783543 -0.008854 0.002133\n-0.068369 5.900800 -0.000052\n-0.123612 -0.012911 10.010835\nLi Mg Mn Fe P O\n2 2 1 1 4 16\ndirect\n-0.000975 0.539382 -0.008305 Li\n0.489820 0.958365 0.492966 Li\n0.028803 0.748985 0.277966 Mg\n0.472820 0.749592 0.776293 Mg\n0.554867 0.250114 0.218681 Mn\n0.968372 0.247530 0.723763 Fe\n0.919337 0.747868 0.595258 P\n0.572951 0.751973 0.094436 P\n0.093550 0.251710 0.400844 P\n0.415154 0.249300 0.907039 P\n0.679675 0.751023 0.951432 O\n0.789494 0.545087 0.676405 O\n0.770006 0.241594 0.380558 O\n0.732684 0.262682 0.890468 O\n0.709261 0.953199 0.176503 O\n0.726641 0.545768 0.166381 O\n0.337378 0.247108 0.057653 O\n0.228608 0.452682 0.326373 O\n0.273845 0.049734 0.829750 O\n0.257509 0.738735 0.105671 O\n0.236117 0.761499 0.607679 O\n0.771410 0.956555 0.666929 O\n0.237807 0.039342 0.339647 O\n0.161909 0.252085 0.551895 O\n0.260764 0.457552 0.842657 O\n0.812188 0.750545 0.451052 O\n",
"nsites": 26,
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"elements": [
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"P",
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],
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"density": 3.2506955485900035,
"density_atomic": 0.0920130426551029,
"volume": 282.56863646447493,
"volume_molar": 6.544877319808988,
"formula_full": "Li2 Mg2 Mn1 Fe1 P4 O16",
"formula_reduced": "Li2Mg2MnFe(PO4)4",
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"spacegroup": 1
},
{
"id": "jvasp-46758",
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