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"results": [
{
"id": "jvasp-50626",
"created_at": "2022-09-04T14:36:34.889836Z",
"updated_at": "2022-09-04T14:36:34.889853Z",
"structure_string": "Li10 Bi2 S8\n1.0\n3.805734 6.281427 0.000000\n-3.805734 6.281427 0.000000\n0.000000 0.000000 7.708822\nLi Bi S\n10 2 8\ndirect\n0.240958 0.883386 0.303680 Li\n0.759043 0.116614 0.803680 Li\n0.835089 0.426270 0.016059 Li\n0.573731 0.164911 0.516059 Li\n0.863384 0.863384 0.213661 Li\n0.883386 0.240958 0.303680 Li\n0.164911 0.573731 0.516059 Li\n0.426270 0.835089 0.016059 Li\n0.116614 0.759043 0.803680 Li\n0.136616 0.136616 0.713661 Li\n0.333460 0.333460 0.078782 Bi\n0.666540 0.666540 0.578782 Bi\n0.500855 0.005861 0.270549 S\n0.499145 0.994140 0.770549 S\n0.005861 0.500855 0.270549 S\n0.022961 0.022961 0.027563 S\n0.977040 0.977040 0.527563 S\n0.476728 0.476728 0.715116 S\n0.523272 0.523272 0.215116 S\n0.994140 0.499145 0.770549 S\n",
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{
"id": "jvasp-38194",
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"updated_at": "2022-09-04T14:37:50.343317Z",
"structure_string": "Rb3 Th1\n1.0\n-0.000000 4.946160 4.946160\n4.946160 0.000000 4.946160\n4.946160 4.946160 0.000000\nRb Th\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Th\n",
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{
"id": "jvasp-1495",
"created_at": "2022-09-04T14:37:02.900559Z",
"updated_at": "2022-09-04T14:37:02.900584Z",
"structure_string": "Na1 Li2 Sb1\n1.0\n4.164091 -0.000000 2.404140\n1.388031 3.925943 2.404140\n-0.000000 -0.000000 4.808278\nNa Li Sb\n1 2 1\ndirect\n0.500000 0.500000 0.500001 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750001 Li\n0.000000 0.000000 0.000000 Sb\n",
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},
{
"id": "jvasp-10297",
"created_at": "2022-09-04T14:37:06.702955Z",
"updated_at": "2022-09-04T14:37:06.702974Z",
"structure_string": "K2 Zr1 B2 O6\n1.0\n4.839829 -0.028782 4.409628\n1.930016 4.438447 4.409628\n-0.044187 -0.028782 6.547276\nK Zr B O\n2 1 2 6\ndirect\n0.789768 0.789770 0.789768 K\n0.210232 0.210232 0.210232 K\n0.000000 0.000000 0.000000 Zr\n0.595106 0.595108 0.595107 B\n0.404893 0.404894 0.404893 B\n0.744739 0.295034 0.744740 O\n0.255260 0.255261 0.704967 O\n0.704967 0.255261 0.255261 O\n0.255261 0.704967 0.255260 O\n0.744739 0.744740 0.295033 O\n0.295033 0.744740 0.744739 O\n",
"nsites": 11,
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"elements": [
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],
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"volume": 142.24759880339587,
"volume_molar": 7.787591479691433,
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{
"id": "jvasp-60637",
"created_at": "2022-09-04T14:36:15.839154Z",
"updated_at": "2022-09-04T14:36:15.839175Z",
"structure_string": "V8 O20\n1.0\n3.587366 0.000000 0.000000\n0.000000 10.042316 0.000000\n0.000000 0.000000 10.007847\nV O\n8 20\ndirect\n0.250000 0.873915 0.016922 V\n0.750001 0.626086 0.516922 V\n0.250000 0.373915 0.483078 V\n0.750001 0.126085 0.983079 V\n0.750001 0.930113 0.606192 V\n0.250000 0.569887 0.106192 V\n0.750001 0.430113 0.893808 V\n0.250000 0.069887 0.393808 V\n0.250000 0.436971 0.955856 O\n0.750001 0.429082 0.463812 O\n0.250000 0.287751 0.618266 O\n0.250000 0.070919 0.963813 O\n0.250000 0.243643 0.357529 O\n0.750001 0.212250 0.118266 O\n0.250000 0.494892 0.248367 O\n0.750001 0.256357 0.857529 O\n0.750001 0.505109 0.751633 O\n0.250000 0.743643 0.142471 O\n0.250000 0.570919 0.536188 O\n0.750001 0.712250 0.381734 O\n0.750001 0.063029 0.455856 O\n0.750001 0.756358 0.642471 O\n0.250000 0.787751 0.881734 O\n0.750001 0.929082 0.036188 O\n0.250000 0.936971 0.544145 O\n0.250000 -0.005108 0.251633 O\n0.750001 0.563029 0.044145 O\n0.750001 0.005108 0.748367 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "V8 O20",
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{
"id": "jvasp-117067",
"created_at": "2022-09-04T14:38:47.491116Z",
"updated_at": "2022-09-04T14:38:47.491142Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.601780 -0.008361 0.977961\n-0.005760 5.275444 0.023328\n-0.105185 0.026280 7.845097\nLi Mn B O\n2 4 4 12\ndirect\n0.046174 0.656071 0.257553 Li\n0.953736 0.344298 0.742675 Li\n0.194694 0.822783 0.559893 Mn\n0.350484 0.704193 0.918265 Mn\n0.650403 0.296169 0.083557 Mn\n0.804481 0.177591 0.437585 Mn\n0.152590 0.174749 0.094867 B\n0.321106 0.322593 0.419462 B\n0.678102 0.676198 0.581025 B\n0.848307 0.826440 0.904638 B\n0.860806 0.803614 0.471705 O\n0.692553 0.424355 0.612926 O\n0.488402 0.815733 0.667638 O\n0.334401 0.323373 0.005419 O\n0.666306 0.676613 0.993274 O\n0.168898 0.917541 0.104784 O\n0.308214 0.574356 0.385879 O\n0.138567 0.197008 0.529522 O\n0.044504 0.695314 0.811232 O\n0.957120 0.307205 0.188542 O\n0.509000 0.180328 0.333202 O\n0.831158 0.083469 0.896362 O\n",
"nsites": 22,
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"elements": [
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"B",
"O"
],
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"density": 3.350511035292622,
"density_atomic": 0.09467412117244772,
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"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-45762",
"created_at": "2022-09-04T14:38:03.817760Z",
"updated_at": "2022-09-04T14:38:03.817787Z",
"structure_string": "Li4 V4 C4 O16\n1.0\n0.000000 3.100940 -0.011199\n9.305762 0.000000 0.000000\n0.000000 -0.209092 -9.197586\nLi V C O\n4 4 4 16\ndirect\n0.737760 0.186283 0.402436 Li\n0.737760 0.313717 0.902436 Li\n0.262240 0.686283 0.097565 Li\n0.262241 0.813717 0.597565 Li\n0.775437 0.562293 0.386893 V\n0.775438 0.937706 0.886893 V\n0.224563 0.062293 0.113107 V\n0.224563 0.437707 0.613108 V\n0.250900 0.129967 0.664785 C\n0.250900 0.370033 0.164785 C\n0.749101 0.629967 0.835216 C\n0.749101 0.870033 0.335215 C\n0.263953 0.006833 0.740722 O\n0.271989 0.616867 0.503645 O\n0.247266 0.126383 0.528955 O\n0.239679 0.249882 0.238411 O\n0.263953 0.493167 0.240722 O\n0.247265 0.373617 0.028955 O\n0.752735 0.626383 0.971046 O\n0.760321 0.749882 0.261589 O\n0.760322 0.750118 0.761590 O\n0.752735 0.873616 0.471046 O\n0.728012 0.383133 0.496356 O\n0.736048 0.993167 0.259279 O\n0.239679 0.250118 0.738411 O\n0.728012 0.116867 -0.003644 O\n0.736048 0.506833 0.759279 O\n0.271989 0.883133 0.003644 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "C-Li-O-V",
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"density_atomic": 0.10548803809353602,
"volume": 265.4329391847487,
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"formula_full": "Li4 V4 C4 O16",
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{
"id": "jvasp-31165",
"created_at": "2022-09-04T14:37:40.617191Z",
"updated_at": "2022-09-04T14:37:40.617217Z",
"structure_string": "Br2 O4 F2\n1.0\n6.335131 -0.040192 -0.018465\n4.285520 4.733666 -0.057608\n4.292226 1.861517 4.271697\nBr O F\n2 4 2\ndirect\n0.276798 0.221275 0.245728 Br\n0.745728 0.721276 0.776797 Br\n0.089117 0.504953 0.777464 O\n0.491201 0.785887 0.094010 O\n0.277463 0.004953 0.589118 O\n0.594011 0.285887 0.991202 O\n0.781627 0.109088 0.486452 F\n0.986452 0.609089 0.281626 F\n",
"nsites": 8,
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],
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"density": 3.3504338315718076,
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"volume": 129.75427822525927,
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"formula_full": "Br2 O4 F2",
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"spacegroup": 9
},
{
"id": "jvasp-70897",
"created_at": "2022-09-04T14:36:09.621705Z",
"updated_at": "2022-09-04T14:36:09.621736Z",
"structure_string": "K1 Be2 Cd1\n1.0\n3.330984 -4.726759 0.000000\n3.330984 4.726759 0.000000\n0.000000 0.000000 2.668433\nK Be Cd\n1 2 1\ndirect\n-0.000000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n0.500000 -0.000000 0.499999 Cd\n",
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{
"id": "jvasp-88413",
"created_at": "2022-09-04T14:36:13.206257Z",
"updated_at": "2022-09-04T14:36:13.206278Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n8.658763 -0.001096 -3.824421\n-5.869706 6.365589 -3.824421\n-0.000481 -0.001096 9.465748\nNa Al Fe Si B O F\n1 6 3 6 3 30 1\ndirect\n0.237256 0.237256 0.237257 Na\n0.894931 0.558935 0.342442 Al\n0.894931 0.342442 0.558935 Al\n0.342442 0.894932 0.558936 Al\n0.558935 0.342442 0.894932 Al\n0.342442 0.558935 0.894932 Al\n0.558935 0.894932 0.342443 Al\n0.562885 0.562885 0.758918 Fe\n0.562885 0.758918 0.562885 Fe\n0.758917 0.562885 0.562885 Fe\n0.998028 0.191321 0.808710 Si\n0.191321 0.998028 0.808710 Si\n0.808709 0.191321 0.998028 Si\n0.998028 0.808710 0.191321 Si\n0.191321 0.808710 0.998029 Si\n0.808709 0.998028 0.191322 Si\n0.562215 0.562215 0.232342 B\n0.562215 0.232341 0.562215 B\n0.232341 0.562215 0.562215 B\n0.764987 0.964067 0.586704 O\n0.642449 0.164008 0.493712 O\n0.164008 0.493712 0.642450 O\n0.493712 0.642449 0.164008 O\n0.493712 0.164008 0.642449 O\n0.164008 0.642449 0.493713 O\n0.642449 0.493712 0.164008 O\n0.361342 0.786159 0.069260 O\n0.786159 0.069259 0.361343 O\n0.069259 0.361342 0.786159 O\n0.069259 0.786159 0.361343 O\n0.786159 0.361342 0.069259 O\n0.361342 0.069259 0.786159 O\n0.586703 0.764987 0.964068 O\n0.391391 0.775783 0.391392 O\n0.998336 0.998337 0.264837 O\n0.998336 0.264836 0.998337 O\n0.264836 0.998337 0.998337 O\n0.174990 0.884951 0.174990 O\n0.884950 0.174990 0.174990 O\n0.174990 0.174990 0.884951 O\n0.391391 0.391391 0.775783 O\n0.964067 0.586704 0.764987 O\n0.775782 0.391391 0.391392 O\n0.554412 0.374087 0.554413 O\n0.374087 0.554413 0.554413 O\n0.554412 0.554413 0.374087 O\n0.586703 0.964067 0.764988 O\n0.764987 0.586704 0.964068 O\n0.964067 0.764987 0.586704 O\n0.774298 0.774298 0.774299 F\n",
"nsites": 50,
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"elements": [
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],
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"density": 3.350171969767801,
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"volume": 521.6007918714647,
"volume_molar": 6.282306778354849,
"formula_full": "Na1 Al6 Fe3 Si6 B3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3O30F",
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"spacegroup": 160
},
{
"id": "jvasp-117431",
"created_at": "2022-09-04T14:38:27.429893Z",
"updated_at": "2022-09-04T14:38:27.429909Z",
"structure_string": "Mn4 F14\n1.0\n5.084632 -0.109924 1.227543\n0.086646 5.552387 1.846779\n-0.116382 -0.214393 8.425604\nMn F\n4 14\ndirect\n0.288961 0.043256 0.172857 Mn\n0.779368 0.791134 0.312105 Mn\n0.220632 0.208867 0.687893 Mn\n0.711040 0.956746 0.827142 Mn\n0.075871 0.888664 0.754261 F\n0.869358 0.257466 0.798248 F\n0.317353 0.494803 0.666138 F\n0.864847 0.732034 0.507755 F\n0.553512 0.102667 0.619145 F\n0.446488 0.897335 0.380854 F\n0.682648 0.505199 0.333861 F\n0.332524 0.096070 0.908598 F\n0.130643 0.742536 0.201751 F\n0.924129 0.111338 0.245737 F\n0.667476 0.903931 0.091401 F\n0.404727 0.325815 0.140003 F\n0.135154 0.267967 0.492244 F\n0.595274 0.674187 0.859995 F\n",
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"elements": [
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"density": 3.3501436207566875,
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"volume": 240.75784240885616,
"volume_molar": 8.05487564477794,
"formula_full": "Mn4 F14",
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{
"id": "jvasp-55675",
"created_at": "2022-09-04T14:38:10.082494Z",
"updated_at": "2022-09-04T14:38:10.082517Z",
"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.540304 -0.000000 0.000000\n0.000000 6.765391 0.000000\n0.000000 0.000000 15.440093\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629433 Ba\n0.000000 0.250000 0.870567 Ba\n0.500000 0.250000 0.370567 Ba\n0.000000 0.750000 0.129433 Ba\n0.000000 0.750000 0.388880 Zn\n0.500000 0.250000 0.111120 Zn\n0.000000 0.250000 0.611120 Zn\n0.500000 0.750000 0.888880 Zn\n0.743193 0.595157 0.462367 Cl\n0.243194 0.404843 0.037632 Cl\n0.243194 0.904843 0.962367 Cl\n0.743193 0.095157 0.537632 Cl\n0.256806 0.404843 0.537632 Cl\n0.756806 0.595157 0.962367 Cl\n0.862438 0.987125 0.298549 Cl\n0.137562 0.012875 0.701451 Cl\n0.637561 0.487125 0.201451 Cl\n0.137562 0.512875 0.298549 Cl\n0.256806 0.904843 0.462367 Cl\n0.637561 0.987125 0.798549 Cl\n0.362438 0.512875 0.798549 Cl\n0.862438 0.487125 0.701451 Cl\n0.362438 0.012875 0.201451 Cl\n0.756806 0.095157 0.037632 Cl\n",
"nsites": 24,
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"elements": [
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],
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"volume": 683.1888164006452,
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"formula_anonymous": "ABC4",
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"spacegroup": 60
}
]
}