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"results": [
{
"id": "jvasp-24933",
"created_at": "2022-09-04T14:38:28.580364Z",
"updated_at": "2022-09-04T14:38:28.580410Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n0.000000 7.181971 0.009680\n6.931881 0.000000 0.000000\n0.000000 -1.916795 -8.126761\nIn Te Cl O\n4 4 4 12\ndirect\n0.798126 0.750151 0.678388 In\n0.201875 0.249849 0.321612 In\n0.701875 0.250151 0.321612 In\n0.298126 0.749849 0.678388 In\n0.943464 0.731797 0.291668 Te\n0.556536 0.231797 0.708332 Te\n0.443465 0.768203 0.291667 Te\n0.056536 0.268203 0.708332 Te\n0.111472 0.793053 0.910249 Cl\n0.888528 0.206947 0.089751 Cl\n0.611472 0.706947 0.910249 Cl\n0.388529 0.293053 0.089751 Cl\n0.492395 0.283623 0.472236 O\n0.007605 0.783623 0.527763 O\n0.256611 0.444783 0.685227 O\n0.756611 0.055217 0.685227 O\n0.154855 0.554765 0.310159 O\n0.654855 0.945235 0.310159 O\n0.345146 0.054765 0.689841 O\n0.845146 0.445235 0.689841 O\n0.743390 0.555217 0.314772 O\n0.507605 0.716377 0.527764 O\n0.992395 0.216377 0.472236 O\n0.243390 0.944783 0.314772 O\n",
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{
"id": "jvasp-110271",
"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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"formula_full": "Ce2 Si4 Os1 Ru3",
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"formula_anonymous": "AB2C3D4",
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{
"id": "jvasp-9757",
"created_at": "2022-09-04T14:38:10.480426Z",
"updated_at": "2022-09-04T14:38:10.480444Z",
"structure_string": "Ag4 C4 S4 N4\n1.0\n5.916973 -0.155091 0.280273\n0.398587 5.905570 0.280273\n-0.004678 -0.004260 8.150753\nAg C S N\n4 4 4 4\ndirect\n0.051920 0.260893 0.094912 Ag\n0.239107 0.448080 0.405088 Ag\n0.948079 0.739108 0.905087 Ag\n0.760892 0.551920 0.594911 Ag\n0.747279 0.032569 0.379669 C\n0.467431 0.752721 0.120331 C\n0.252721 0.967431 0.620330 C\n0.532568 0.247280 0.879668 C\n0.726140 0.283281 0.285498 S\n0.273860 0.716720 0.714501 S\n0.216720 0.773860 0.214501 S\n0.783280 0.226140 0.785498 S\n0.758172 0.854291 0.448632 N\n0.354290 0.258172 0.948633 N\n0.241828 0.145709 0.551366 N\n0.645709 0.741828 0.051366 N\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.05607523376209804,
"volume": 285.33095497881993,
"volume_molar": 10.739394837922978,
"formula_full": "Ag4 C4 S4 N4",
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},
{
"id": "jvasp-109486",
"created_at": "2022-09-04T14:38:16.529733Z",
"updated_at": "2022-09-04T14:38:16.529764Z",
"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n6.869209 -0.000000 3.965940\n2.289736 6.476352 3.965940\n-0.000000 -0.000000 7.931879\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.775632 0.224368 0.224369 Br\n0.224369 0.224368 0.775631 Br\n0.224369 0.775631 0.775631 Br\n0.224369 0.775631 0.224368 Br\n0.775632 0.224368 0.775631 Br\n0.775632 0.775631 0.224368 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.028339145041462878,
"volume": 352.86879633697646,
"volume_molar": 21.25025561353045,
"formula_full": "Rb2 Al1 Tl1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-46717",
"created_at": "2022-09-04T14:38:18.809071Z",
"updated_at": "2022-09-04T14:38:18.809101Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 8.513021 0.082096\n4.970491 0.000000 0.000000\n0.000000 -5.624257 -8.243491\nLi Mn P O\n2 4 4 16\ndirect\n0.503079 0.569014 0.994655 Li\n0.503079 0.430986 0.494655 Li\n0.494885 0.091642 0.765448 Mn\n0.000557 0.447926 0.230131 Mn\n0.000556 0.552074 0.730131 Mn\n0.494885 0.908358 0.265448 Mn\n0.747409 0.429873 0.364269 P\n0.248515 0.055767 0.885893 P\n0.747409 0.570127 0.864269 P\n0.248515 0.944232 0.385893 P\n0.936533 0.512715 0.391869 O\n0.742327 0.517526 0.512351 O\n0.715144 0.125176 0.333167 O\n0.276404 0.005105 0.049945 O\n0.572651 0.581281 0.213000 O\n0.260206 0.360540 0.852791 O\n0.276403 -0.005105 0.549945 O\n0.572651 0.418719 0.713000 O\n0.742327 0.482473 0.012352 O\n0.057617 0.057874 0.243075 O\n0.422186 0.919007 0.895259 O\n0.936533 0.487285 0.891869 O\n0.260206 0.639460 0.352791 O\n0.715143 0.874824 0.833167 O\n0.057617 0.942126 0.743075 O\n0.422186 0.080993 0.395259 O\n",
"nsites": 26,
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"elements": [
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"P",
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],
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"density": 2.940019916859145,
"density_atomic": 0.07503192030701307,
"volume": 346.5191866823357,
"volume_molar": 8.02610507016055,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 7
},
{
"id": "jvasp-26771",
"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
"nsites": 38,
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"elements": [
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],
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"formula_full": "Rb4 U2 Si8 O24",
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},
{
"id": "jvasp-109485",
"created_at": "2022-09-04T14:38:12.141785Z",
"updated_at": "2022-09-04T14:38:12.141808Z",
"structure_string": "Na2 Ga1 Hg1 Cl6\n1.0\n6.308540 -0.000000 3.642237\n2.102847 5.947748 3.642237\n-0.000000 -0.000000 7.284474\nNa Ga Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.766045 0.233955 0.233955 Cl\n0.233955 0.233955 0.766044 Cl\n0.233956 0.766045 0.766044 Cl\n0.233956 0.766045 0.233955 Cl\n0.766045 0.233955 0.766045 Cl\n0.766045 0.766045 0.233955 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.213910681473254,
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"volume": 273.32516456845286,
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"formula_full": "Na2 Ga1 Hg1 Cl6",
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{
"id": "jvasp-108601",
"created_at": "2022-09-04T14:38:18.765141Z",
"updated_at": "2022-09-04T14:38:18.765166Z",
"structure_string": "Rb2 Tl1 Pd1 F6\n1.0\n5.560847 -0.000000 3.210556\n1.853616 5.242817 3.210556\n-0.000000 -0.000000 6.421113\nRb Tl Pd F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.771077 0.228923 0.228923 F\n0.228924 0.228923 0.771076 F\n0.228924 0.771077 0.771076 F\n0.228924 0.771077 0.228923 F\n0.771077 0.228923 0.771077 F\n0.771078 0.771077 0.228923 F\n",
"nsites": 10,
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{
"id": "jvasp-10791",
"created_at": "2022-09-04T14:38:09.820578Z",
"updated_at": "2022-09-04T14:38:09.820604Z",
"structure_string": "K2 Tb4 Cu2 S8\n1.0\n3.960971 -0.000000 0.000000\n-1.980485 6.722748 -0.000000\n0.000000 0.000000 13.728220\nTb K Cu S\n4 2 2 8\ndirect\n0.365803 0.731604 0.936631 Tb\n0.634199 0.268397 0.436631 Tb\n0.365803 0.731604 0.563369 Tb\n0.634199 0.268397 0.063369 Tb\n0.889899 0.779798 0.250000 K\n0.110102 0.220202 0.750000 K\n0.838283 0.676565 0.750000 Cu\n0.161718 0.323435 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264532 0.529063 0.111861 S\n0.735470 0.470937 0.888139 S\n0.433687 0.867371 0.750000 S\n0.264532 0.529063 0.388139 S\n0.566315 0.132629 0.250000 S\n0.735470 0.470937 0.611861 S\n",
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{
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"created_at": "2022-09-04T14:38:09.822878Z",
"updated_at": "2022-09-04T14:38:09.822893Z",
"structure_string": "Li3 Cr3 B3 O9\n1.0\n0.000000 8.091662 0.000572\n3.112178 0.000000 0.000000\n0.000000 -4.045368 -7.007850\nLi Cr B O\n3 3 3 9\ndirect\n0.021361 0.500000 0.729536 Li\n0.270465 0.500000 0.291824 Li\n0.708177 0.500000 0.978641 Li\n0.624644 0.000000 0.603062 Cr\n0.978415 0.000000 0.375354 Cr\n0.396937 0.000000 0.021581 Cr\n0.000001 0.000000 0.000001 B\n0.333336 0.500000 0.666667 B\n0.666665 0.500000 0.333333 B\n0.444596 0.500000 0.581140 O\n0.746835 0.500000 0.531633 O\n0.468364 0.500000 0.215203 O\n0.784793 0.500000 0.253162 O\n0.087464 0.000000 0.889199 O\n0.418864 0.500000 0.863457 O\n0.801735 0.000000 0.912536 O\n0.136546 0.500000 0.555406 O\n0.110799 0.000000 0.198268 O\n",
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"density_atomic": 0.10200072730631937,
"volume": 176.46932992883498,
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"formula_full": "Li3 Cr3 B3 O9",
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{
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"created_at": "2022-09-04T14:38:10.525073Z",
"updated_at": "2022-09-04T14:38:10.525088Z",
"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
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"density_atomic": 0.1019365584734009,
"volume": 88.29020848637381,
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{
"id": "jvasp-47093",
"created_at": "2022-09-04T14:38:10.535215Z",
"updated_at": "2022-09-04T14:38:10.535241Z",
"structure_string": "Li3 V3 O5 F3\n1.0\n-0.004083 4.142378 4.142378\n4.150464 -0.001952 4.140386\n4.150464 4.140386 -0.001952\nLi V O F\n3 3 5 3\ndirect\n0.266296 0.249528 0.249528 Li\n0.132758 0.620795 0.620795 Li\n0.622136 0.622577 0.622577 Li\n0.986250 0.007305 0.007305 V\n0.619451 0.622697 0.110411 V\n0.619451 0.110411 0.622697 V\n0.408301 0.381360 0.381360 O\n0.864589 0.887307 0.382038 O\n0.864589 0.382038 0.887307 O\n0.849818 0.882246 0.882246 O\n0.376545 0.877024 0.877024 O\n0.861604 0.378554 0.378554 F\n0.389118 0.854069 0.374087 F\n0.389118 0.374087 0.854069 F\n",
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"elements": [
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"formula_full": "Li3 V3 O5 F3",
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}
]
}