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{
"id": "jvasp-115225",
"created_at": "2022-09-04T14:38:43.294382Z",
"updated_at": "2022-09-04T14:38:43.294405Z",
"structure_string": "Mg1 O1\n1.0\n3.285257 0.000000 -0.000000\n-1.642629 2.845116 0.000000\n-0.000000 0.000000 3.885579\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 O\n",
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{
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"structure_string": "K1 Zn1\n1.0\n5.706900 0.000000 -0.000000\n-2.853450 4.942321 0.000000\n0.000000 -0.000000 3.338451\nK Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666666 0.000000 Zn\n",
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{
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"structure_string": "K6 B2 P4\n1.0\n6.177627 0.001723 1.680668\n-0.105421 6.176728 1.680668\n0.014621 0.014876 8.978934\nK B P\n6 2 4\ndirect\n0.653138 0.346862 0.250000 K\n0.346862 0.653138 0.750000 K\n0.253468 0.152536 0.017495 K\n0.847464 0.746532 0.482505 K\n0.746532 0.847464 0.982505 K\n0.152537 0.253468 0.517494 K\n0.283779 0.716221 0.250000 B\n0.716221 0.283779 0.750000 B\n0.408047 0.850585 0.354692 P\n0.149416 0.591953 0.145308 P\n0.850585 0.408047 0.854692 P\n0.591953 0.149415 0.645308 P\n",
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{
"id": "jvasp-118908",
"created_at": "2022-09-04T14:38:53.116137Z",
"updated_at": "2022-09-04T14:38:53.116165Z",
"structure_string": "Mg2 N1\n1.0\n4.122132 -0.000000 -0.000000\n-2.061066 3.569871 0.000000\n0.000000 0.000000 3.830780\nMg N\n2 1\ndirect\n0.333333 0.666667 0.000000 Mg\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 N\n",
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"spacegroup": 191
},
{
"id": "jvasp-93144",
"created_at": "2022-09-04T14:35:57.301131Z",
"updated_at": "2022-09-04T14:35:57.301164Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.358379 0.007213 0.000000\n-3.172943 5.510124 0.000000\n0.000000 0.000000 5.053760\nNa Mg Si\n1 6 1\ndirect\n0.328767 0.171233 0.750000 Na\n0.164221 0.825831 0.250000 Mg\n0.674169 0.335778 0.250000 Mg\n0.668883 0.831117 0.250000 Mg\n0.328743 0.659034 0.750000 Mg\n0.840965 0.171256 0.750000 Mg\n0.835526 0.664473 0.750000 Mg\n0.158726 0.341274 0.250000 Si\n",
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{
"id": "jvasp-96131",
"created_at": "2022-09-04T14:35:49.614709Z",
"updated_at": "2022-09-04T14:35:49.614723Z",
"structure_string": "H12 N4 O16\n1.0\n5.483027 0.000000 0.000000\n0.000000 8.678202 0.000000\n0.000000 0.000000 6.128878\nH N O\n12 4 16\ndirect\n0.414082 0.327897 0.879039 H\n0.914082 0.672103 0.120961 H\n0.914082 0.827897 0.620961 H\n0.414082 0.172103 0.379039 H\n0.698462 0.252509 0.913604 H\n0.451858 0.136169 0.884929 H\n0.951858 0.863831 0.115072 H\n0.198462 0.747491 0.086396 H\n0.198462 0.752509 0.586396 H\n0.951858 0.636169 0.615072 H\n0.698462 0.247491 0.413604 H\n0.451858 0.363831 0.384928 H\n0.522143 0.905962 0.700982 N\n0.022143 0.094038 0.299018 N\n0.022143 0.405962 0.799019 N\n0.522143 0.594038 0.200982 N\n0.014991 0.760465 0.054100 O\n0.514992 0.239535 0.945900 O\n0.978473 0.222257 0.389522 O\n0.478472 0.777743 0.610478 O\n0.478472 0.722257 0.110478 O\n0.978473 0.277743 0.889522 O\n0.239412 0.044239 0.287762 O\n0.739412 0.955761 0.712239 O\n0.239412 0.455761 0.787762 O\n0.848852 0.015283 0.219345 O\n0.348852 0.984717 0.780655 O\n0.348852 0.515283 0.280655 O\n0.848852 0.484717 0.719345 O\n0.014991 0.739535 0.554101 O\n0.739412 0.544238 0.212239 O\n0.514992 0.260465 0.445900 O\n",
"nsites": 32,
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"volume_molar": 5.488226669399383,
"formula_full": "H12 N4 O16",
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{
"id": "jvasp-93143",
"created_at": "2022-09-04T14:35:53.949142Z",
"updated_at": "2022-09-04T14:35:53.949166Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.364231 0.030546 0.000000\n-3.155662 5.465766 0.000000\n0.000000 0.000000 5.079176\nNa Mg Si\n1 6 1\ndirect\n0.166890 0.833444 0.250000 Na\n0.667780 0.336373 0.250000 Mg\n0.667780 0.831408 0.250000 Mg\n0.327964 0.171430 0.750001 Mg\n0.327964 0.656536 0.750001 Mg\n0.835876 0.167939 0.750001 Mg\n0.827371 0.663687 0.750001 Mg\n0.178378 0.339188 0.250000 Si\n",
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"formula_full": "Na1 Mg6 Si1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-96132",
"created_at": "2022-09-04T14:35:52.192547Z",
"updated_at": "2022-09-04T14:35:52.192572Z",
"structure_string": "H12 N4 O16\n1.0\n5.482903 0.000000 0.000000\n0.000000 8.678213 0.000000\n0.000000 0.000000 6.127824\nH N O\n12 4 16\ndirect\n0.588818 0.136244 0.884841 H\n0.342174 0.252563 0.913602 H\n0.626547 0.327974 0.879018 H\n0.842173 0.747437 0.086397 H\n0.126547 0.672026 0.120981 H\n0.088818 0.863755 0.115159 H\n0.842173 0.752563 0.586397 H\n0.126547 0.827974 0.620981 H\n0.088818 0.636244 0.615158 H\n0.626547 0.172026 0.379019 H\n0.588818 0.363755 0.384841 H\n0.342174 0.247437 0.413602 H\n0.518544 0.906036 0.700951 N\n0.018545 0.093964 0.299048 N\n0.018545 0.406036 0.799048 N\n0.518544 0.593964 0.200951 N\n0.025666 0.760406 0.054143 O\n0.525666 0.239594 0.945856 O\n0.062190 0.222165 0.389629 O\n0.562190 0.777835 0.610371 O\n0.562190 0.722165 0.110371 O\n0.062190 0.277835 0.889629 O\n0.191864 0.015212 0.219402 O\n0.691864 0.984788 0.780597 O\n0.191864 0.484788 0.719402 O\n0.801271 0.044177 0.287693 O\n0.301271 0.955823 0.712306 O\n0.301271 0.544177 0.212307 O\n0.801271 0.455823 0.787693 O\n0.025666 0.739594 0.554143 O\n0.691864 0.515212 0.280598 O\n0.525666 0.260406 0.445856 O\n",
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"formula_full": "H12 N4 O16",
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{
"id": "jvasp-51555",
"created_at": "2022-09-04T14:37:41.208876Z",
"updated_at": "2022-09-04T14:37:41.208896Z",
"structure_string": "Si6 O12\n1.0\n5.285219 0.000000 -0.000000\n0.000000 7.461275 0.000000\n0.000000 0.000000 8.223411\nSi O\n6 12\ndirect\n0.250000 0.213679 0.104086 Si\n0.750000 0.786321 0.895914 Si\n0.750000 0.213679 0.895914 Si\n0.250000 0.786321 0.104086 Si\n0.250000 0.500000 0.387231 Si\n0.750000 0.500000 0.612769 Si\n0.250000 0.679502 0.275192 O\n0.750000 0.320498 0.724808 O\n0.750000 0.679502 0.724808 O\n0.250000 0.320498 0.275192 O\n0.750000 0.000000 0.857465 O\n0.000000 0.731812 0.000000 O\n0.500000 0.268189 0.000000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.731812 0.000000 O\n0.000000 0.268189 0.000000 O\n0.250000 0.000000 0.142535 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:52.355290Z",
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"structure_string": "Si1 H2 O1\n1.0\n2.668001 -1.651377 -0.017858\n2.668001 1.651377 -0.017858\n-1.692907 0.000000 4.716594\nSi H O\n1 2 1\ndirect\n0.733273 0.733273 0.744126 Si\n0.728681 0.728681 0.287372 H\n0.410975 0.410975 0.792494 H\n0.598134 0.598134 0.386004 O\n",
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{
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"updated_at": "2022-09-04T14:36:20.521136Z",
"structure_string": "Li4 N1 O1\n1.0\n-2.312024 -2.312024 0.000000\n-2.312024 2.312024 0.000000\n-0.000000 -0.000000 -4.855012\nLi N O\n4 1 1\ndirect\n0.499999 0.000000 0.736740 Li\n0.000000 0.499999 0.263260 Li\n0.499999 0.000000 0.263260 Li\n0.000000 0.499999 0.736740 Li\n0.000000 0.000000 0.000000 N\n0.499999 0.499999 0.500000 O\n",
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{
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"structure_string": "Si4 O8\n1.0\n4.820529 -0.003402 1.560058\n1.598101 6.420980 1.997864\n0.005035 -0.291411 6.905753\nSi O\n4 8\ndirect\n0.350897 0.949218 0.742519 Si\n0.649102 0.050783 0.257480 Si\n0.850897 0.742520 0.949217 Si\n0.149102 0.257480 0.050782 Si\n0.926161 0.137893 0.227222 O\n0.750000 0.838988 0.161012 O\n0.249999 0.161013 0.838987 O\n-0.000000 0.500000 -0.000000 O\n0.573837 0.772778 0.862107 O\n0.073837 0.862107 0.772777 O\n0.500000 0.000000 0.500000 O\n0.426161 0.227222 0.137893 O\n",
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]
}