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{
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"results": [
{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
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{
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"structure_string": "In1 Ag2 Bi1 Se4\n1.0\n6.914846 -0.009776 1.204753\n5.707750 3.903432 1.204753\n0.000157 0.000048 7.100575\nIn Ag Bi Se\n1 2 1 4\ndirect\n0.500001 0.499999 -0.000000 In\n0.254815 0.254814 0.750428 Ag\n0.745187 0.745185 0.249572 Ag\n0.000000 0.000000 0.500000 Bi\n0.126431 0.126430 0.112726 Se\n0.631053 0.631051 0.632876 Se\n0.873571 0.873568 0.887274 Se\n0.368949 0.368947 0.367124 Se\n",
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{
"id": "jvasp-11530",
"created_at": "2022-09-04T14:36:45.755302Z",
"updated_at": "2022-09-04T14:36:45.755318Z",
"structure_string": "Zn4 Cu2 N4\n1.0\n3.262997 0.000000 1.311379\n0.996953 5.379783 2.234574\n-0.851714 -0.181908 6.834462\nZn Cu N\n4 2 4\ndirect\n0.653275 0.188977 0.504476 Zn\n0.346727 0.811022 0.495523 Zn\n0.087910 0.602294 0.221885 Zn\n0.912091 0.397705 0.778115 Zn\n0.369666 0.160994 0.099675 Cu\n0.630335 0.839006 0.900324 Cu\n0.199032 0.241699 0.360237 N\n0.800969 0.758300 0.639762 N\n0.484648 0.224565 0.806140 N\n0.515354 0.775434 0.193859 N\n",
"nsites": 10,
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"density": 5.811971382840997,
"density_atomic": 0.07869619343659869,
"volume": 127.0709492201356,
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"formula_full": "Zn4 Cu2 N4",
"formula_reduced": "Zn2CuN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-101539",
"created_at": "2022-09-04T14:36:45.558586Z",
"updated_at": "2022-09-04T14:36:45.558610Z",
"structure_string": "As1 N1 O2 F6\n1.0\n4.808751 0.083529 0.463886\n-0.656706 4.764430 0.463886\n0.082822 0.096703 5.398951\nAs N O F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 As\n0.499999 0.500000 0.500001 N\n0.658813 0.658814 0.565520 O\n0.341186 0.341186 0.434481 O\n0.278780 0.278780 0.955903 F\n0.180890 0.835121 0.764084 F\n0.835121 0.180890 0.764084 F\n0.164877 0.819109 0.235918 F\n0.819109 0.164878 0.235917 F\n0.721219 0.721219 0.044099 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.1569270621289762,
"density_atomic": 0.08092823050620704,
"volume": 123.56627517307474,
"volume_molar": 7.441335022811495,
"formula_full": "As1 N1 O2 F6",
"formula_reduced": "AsN(OF3)2",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-106786",
"created_at": "2022-09-04T14:36:45.996608Z",
"updated_at": "2022-09-04T14:36:45.996628Z",
"structure_string": "Li3 Cu2 O4\n1.0\n4.662854 -0.026094 2.255687\n3.842203 2.642039 2.255687\n0.132209 0.040664 7.186068\nLi Cu O\n3 2 4\ndirect\n0.351562 0.351561 0.879459 Li\n0.630980 0.630983 0.134181 Li\n0.990632 0.990635 0.507380 Li\n0.834474 0.834477 0.273946 Cu\n0.148119 0.148118 0.739347 Cu\n0.428948 0.428949 0.349698 O\n0.553497 0.553498 0.663878 O\n0.246856 0.246856 0.185912 O\n0.735921 0.735922 0.827206 O\n",
"nsites": 9,
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"elements": [
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"density": 3.9816445242485115,
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"volume": 88.37784208553727,
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"formula_full": "Li3 Cu2 O4",
"formula_reduced": "Li3(CuO2)2",
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{
"id": "jvasp-22441",
"created_at": "2022-09-04T14:36:45.783922Z",
"updated_at": "2022-09-04T14:36:45.783946Z",
"structure_string": "Na3 Cd2 Ir1 O6\n1.0\n5.658630 0.004056 -0.986250\n-3.069938 4.753482 -0.986250\n-0.025146 -0.046213 5.662627\nNa Cd Ir O\n3 2 1 6\ndirect\n0.500000 0.500001 0.500000 Na\n0.167549 0.832451 0.500000 Na\n0.832451 0.167550 0.500000 Na\n0.332778 0.667221 -0.000000 Cd\n0.667221 0.332779 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n0.781770 0.781771 0.208372 O\n0.218229 0.218230 0.791629 O\n0.071456 0.362608 0.217865 O\n0.637392 0.928544 0.782135 O\n0.362608 0.071457 0.217866 O\n0.928543 0.637393 0.782135 O\n",
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"density_atomic": 0.07901528758269873,
"volume": 151.8693453775081,
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"formula_full": "Na3 Cd2 Ir1 O6",
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"formula_anonymous": "AB2C3D6",
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"spacegroup": 12
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{
"id": "jvasp-43504",
"created_at": "2022-09-04T14:36:45.955594Z",
"updated_at": "2022-09-04T14:36:45.955623Z",
"structure_string": "Li4 V4 F16\n1.0\n5.096884 4.479366 -0.030698\n-5.096884 4.479366 0.030698\n-2.194465 0.000000 6.827831\nLi V F\n4 4 16\ndirect\n0.272794 0.727207 0.387817 Li\n0.252062 0.252062 0.000000 Li\n0.747939 0.747939 -0.000000 Li\n0.727207 0.272794 0.612182 Li\n0.204817 0.795183 0.867200 V\n0.188108 0.188108 0.500000 V\n0.811893 0.811893 0.500000 V\n0.795184 0.204817 0.132800 V\n0.515228 0.187743 0.108259 F\n0.808012 0.191989 0.878030 F\n0.464786 0.191495 0.519300 F\n0.808506 0.535215 0.519300 F\n0.797011 0.896428 0.210471 F\n0.103573 0.202989 0.210471 F\n0.896428 0.797010 0.789529 F\n0.191989 0.808012 0.121970 F\n0.191495 0.464785 0.480700 F\n0.535216 0.808506 0.480700 F\n0.812258 0.484773 0.108259 F\n0.484774 0.812258 0.891741 F\n0.187743 0.515227 0.891741 F\n0.134635 0.865366 0.544652 F\n0.202990 0.103573 0.789529 F\n0.865366 0.134635 0.455348 F\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "F-Li-V",
"density": 2.857719702686302,
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"volume": 311.1662983321655,
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"formula_full": "Li4 V4 F16",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
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{
"id": "jvasp-102816",
"created_at": "2022-09-04T14:36:46.217050Z",
"updated_at": "2022-09-04T14:36:46.217066Z",
"structure_string": "Rb1 Cr2 S4\n1.0\n7.843326 -0.066077 1.395399\n7.116808 3.297449 1.395399\n-0.344361 -0.074382 5.560061\nRb Cr S\n1 2 4\ndirect\n0.500001 0.500000 0.500000 Rb\n0.752629 0.752628 0.205417 Cr\n0.247372 0.247372 0.794582 Cr\n0.347833 0.347833 0.055691 S\n0.652168 0.652167 0.944309 S\n0.824728 0.824727 0.565646 S\n0.175273 0.175273 0.434354 S\n",
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"volume": 148.10598823089452,
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"formula_full": "Rb1 Cr2 S4",
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{
"id": "jvasp-7994",
"created_at": "2022-09-04T14:36:46.262870Z",
"updated_at": "2022-09-04T14:36:46.262891Z",
"structure_string": "Hg1 O2\n1.0\n4.409788 -0.625311 -1.398273\n-1.325702 3.402156 0.269256\n-0.664265 0.839726 3.501180\nHg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.309220 0.442691 0.442690 O\n0.690780 0.557312 0.557311 O\n",
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"volume": 47.136436182957326,
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},
{
"id": "jvasp-30359",
"created_at": "2022-09-04T14:36:46.767405Z",
"updated_at": "2022-09-04T14:36:46.767430Z",
"structure_string": "Co5 Ni1 O12\n1.0\n2.431332 4.223331 0.453426\n-2.457864 4.226483 0.226713\n0.403660 0.701177 8.693031\nCo Ni O\n5 1 12\ndirect\n0.166644 0.666712 0.500000 Co\n0.666665 0.666667 0.000000 Co\n0.333335 0.333333 0.000000 Co\n0.833357 0.333288 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.035843 0.335990 0.891127 O\n0.300144 0.000000 0.108873 O\n0.628166 0.335990 0.108873 O\n0.797772 0.666675 0.608034 O\n0.131097 0.000000 0.608023 O\n0.202228 0.333325 0.391966 O\n0.535553 0.666675 0.391966 O\n0.699855 0.000001 0.891127 O\n0.371835 0.664009 0.891127 O\n0.964157 0.664009 0.108873 O\n0.464447 0.333325 0.608034 O\n0.868903 0.000000 0.391977 O\n",
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{
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"created_at": "2022-09-04T14:36:46.796522Z",
"updated_at": "2022-09-04T14:36:46.796546Z",
"structure_string": "Ho2 Ge2 Pd2\n1.0\n4.426078 0.009160 3.491025\n2.297967 3.782804 3.491025\n-0.012713 -0.007170 6.998212\nHo Ge Pd\n2 2 2\ndirect\n0.452273 0.452271 0.308839 Ho\n0.547730 0.547728 0.691158 Ho\n0.158189 0.158188 0.901075 Ge\n0.841813 0.841811 0.098923 Ge\n0.823785 0.823782 0.721424 Pd\n0.176217 0.176217 0.278574 Pd\n",
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],
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{
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"created_at": "2022-09-04T14:36:46.902681Z",
"updated_at": "2022-09-04T14:36:46.902704Z",
"structure_string": "Li1 V1 F6\n1.0\n4.713594 -0.363279 2.140344\n1.988236 4.289156 2.140344\n0.427385 0.250358 4.994001\nLi V F\n1 1 6\ndirect\n0.518597 0.518598 0.483595 Li\n0.018606 0.018607 0.983611 V\n0.196127 0.722813 0.804537 F\n0.250959 0.250960 0.628586 F\n0.314452 0.841042 0.162633 F\n0.722811 0.196127 0.804537 F\n0.786275 0.786276 0.338701 F\n0.841040 0.314452 0.162633 F\n",
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}
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}