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{
"id": "jvasp-9594",
"created_at": "2022-09-04T14:37:27.209633Z",
"updated_at": "2022-09-04T14:37:27.209649Z",
"structure_string": "Ho2 Ta2 O8\n1.0\n4.760090 0.004476 -1.782415\n-1.288319 4.769642 -1.989595\n-0.008458 0.006387 6.505282\nHo Ta O\n2 2 8\ndirect\n0.381195 0.631190 0.262382 Ho\n0.618804 0.368811 0.737618 Ho\n0.852341 0.102343 0.204683 Ta\n0.147659 0.897658 0.795317 Ta\n0.001434 0.786481 0.062256 O\n0.560824 0.275771 0.062252 O\n0.998565 0.213520 0.937744 O\n0.439176 0.724230 0.937748 O\n0.209732 0.369838 0.422218 O\n0.712486 0.052385 0.422220 O\n0.790267 0.630163 0.577781 O\n0.287513 0.947616 0.577780 O\n",
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{
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"structure_string": "Sb4 O10\n1.0\n4.546345 -0.000000 -1.719306\n-0.464529 5.342729 -1.228350\n-0.002452 0.013881 6.864097\nSb O\n4 10\ndirect\n0.621778 0.220625 0.724725 Sb\n0.897052 0.279375 0.275274 Sb\n0.378221 0.779375 0.275275 Sb\n0.102947 0.720625 0.724725 Sb\n0.575570 0.250000 -0.000001 O\n0.424429 0.750000 -0.000000 O\n0.189571 0.445889 0.202038 O\n0.987532 0.054111 0.797961 O\n0.782814 0.623871 0.405269 O\n0.377546 0.876129 0.594730 O\n0.217185 0.376129 0.594730 O\n0.622454 0.123871 0.405270 O\n0.012467 0.945889 0.202038 O\n0.810428 0.554111 0.797961 O\n",
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"formula_full": "Sb4 O10",
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"spacegroup": 15
},
{
"id": "jvasp-10342",
"created_at": "2022-09-04T14:37:27.514057Z",
"updated_at": "2022-09-04T14:37:27.514066Z",
"structure_string": "Ge4 Mo2 O12\n1.0\n5.527885 0.068072 1.313623\n1.550427 6.597447 0.725847\n0.185709 -0.050126 6.813222\nGe Mo O\n4 2 12\ndirect\n0.747359 0.388232 0.213943 Ge\n0.752643 0.786056 0.611768 Ge\n0.252643 0.611768 0.786056 Ge\n0.247358 0.213943 0.388232 Ge\n0.750001 0.905781 0.094219 Mo\n0.250001 0.094218 0.905781 Mo\n0.631683 0.958892 0.820395 O\n0.868319 0.179605 0.041107 O\n0.732037 0.626316 0.083304 O\n0.767966 0.916696 0.373685 O\n0.267965 0.373685 0.916695 O\n0.559287 0.613800 0.647398 O\n-0.059286 0.352601 0.386200 O\n0.131683 0.820395 0.958893 O\n0.059286 0.647398 0.613800 O\n0.440715 0.386199 0.352601 O\n0.232036 0.083304 0.626315 O\n0.368319 0.041107 0.179605 O\n",
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"density_atomic": 0.07309425046902539,
"volume": 246.25739896775778,
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"spacegroup": 15
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{
"id": "jvasp-9653",
"created_at": "2022-09-04T14:37:27.586037Z",
"updated_at": "2022-09-04T14:37:27.586048Z",
"structure_string": "Y2 Sn4 O8\n1.0\n5.522853 0.112756 -2.734853\n-1.458130 5.191579 -2.717822\n-0.049374 0.059971 6.843114\nY Sn O\n2 4 8\ndirect\n0.876946 0.126947 0.753891 Y\n0.123055 0.873054 0.246109 Y\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500001 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.755012 0.506649 0.856283 O\n0.101271 0.849634 0.856283 O\n0.244988 0.493351 0.143717 O\n0.898729 0.150367 0.143718 O\n0.501539 0.107253 0.360141 O\n0.858604 0.752886 0.360141 O\n0.141396 0.247115 0.639860 O\n0.498462 0.892748 0.639859 O\n",
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],
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"formula_full": "Y2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 15
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{
"id": "jvasp-10674",
"created_at": "2022-09-04T14:37:27.602132Z",
"updated_at": "2022-09-04T14:37:27.602154Z",
"structure_string": "Ta4 O10\n1.0\n4.576642 0.000000 -1.737437\n-0.482436 5.400922 -1.270801\n0.005008 0.018942 6.909656\nTa O\n4 10\ndirect\n0.614635 0.234593 0.719772 Ta\n0.894862 0.265406 0.280227 Ta\n0.385364 0.765406 0.280227 Ta\n0.105137 0.734593 0.719773 Ta\n0.276888 0.127961 0.410471 O\n0.866417 0.372039 0.589529 O\n0.723111 0.872039 0.589529 O\n0.133582 0.627961 0.410471 O\n0.099902 0.750000 -0.000000 O\n0.900096 0.250000 -0.000001 O\n0.665208 0.973082 0.219487 O\n0.445721 0.526917 0.780513 O\n0.334791 0.026917 0.780513 O\n0.554278 0.473082 0.219487 O\n",
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"volume": 170.9665122432018,
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"formula_full": "Ta4 O10",
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{
"id": "jvasp-10336",
"created_at": "2022-09-04T14:37:27.918893Z",
"updated_at": "2022-09-04T14:37:27.918922Z",
"structure_string": "Cr2 Ge4 O12\n1.0\n5.367420 0.079405 1.290025\n1.506298 6.404498 0.766927\n0.193896 0.011751 6.620950\nCr Ge O\n2 4 12\ndirect\n0.750001 0.909961 0.090040 Cr\n0.250001 0.090038 0.909961 Cr\n0.757357 0.387403 0.204661 Ge\n0.742644 0.795339 0.612598 Ge\n0.242644 0.612597 0.795340 Ge\n0.257357 0.204660 0.387403 Ge\n0.626352 0.971133 0.824744 O\n0.873649 0.175256 0.028867 O\n0.749058 0.636672 0.072696 O\n0.750943 0.927304 0.363329 O\n0.250943 0.363328 0.927305 O\n0.567724 0.599896 0.667390 O\n-0.067723 0.332610 0.400104 O\n0.126352 0.824743 0.971134 O\n0.067724 0.667390 0.599896 O\n0.432277 0.400103 0.332610 O\n0.249059 0.072695 0.636673 O\n0.373649 0.028866 0.175257 O\n",
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"elements": [
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"density": 4.325118473178678,
"density_atomic": 0.07993188939414181,
"volume": 225.1917243097123,
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"formula_full": "Cr2 Ge4 O12",
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"spacegroup": 15
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{
"id": "jvasp-11640",
"created_at": "2022-09-04T14:37:28.161887Z",
"updated_at": "2022-09-04T14:37:28.161911Z",
"structure_string": "Mg2 Cr2 F8\n1.0\n-4.980874 0.000142 -0.029303\n-0.000168 -5.655537 -0.000101\n2.079961 2.827642 5.120969\nMg Cr F\n2 2 8\ndirect\n0.751915 0.681454 0.500995 Mg\n0.251921 0.322084 0.500998 Mg\n0.001921 0.501719 0.000977 Cr\n0.501948 0.001735 0.001019 Cr\n0.187043 0.261911 0.765566 F\n0.332477 0.503862 0.294605 F\n0.816792 0.741532 0.236371 F\n0.832480 0.293230 0.294627 F\n0.671375 0.499650 0.707397 F\n0.687057 0.006172 0.765612 F\n0.171374 0.710277 0.707400 F\n0.316834 0.997347 0.236440 F\n",
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"volume": 143.90911596410638,
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{
"id": "jvasp-51725",
"created_at": "2022-09-04T14:37:28.035400Z",
"updated_at": "2022-09-04T14:37:28.035431Z",
"structure_string": "Zn2 H4 S2 O10\n1.0\n3.028988 3.870270 -1.596220\n-3.028988 3.870270 1.596220\n0.068843 0.000000 7.578463\nZn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.423663 0.154180 0.794690 H\n0.154179 0.423664 0.705309 H\n0.576336 0.845821 0.205309 H\n0.845820 0.576337 0.294691 H\n0.841608 0.841608 0.750000 S\n0.158392 0.158392 0.250000 S\n0.381212 0.161878 0.161394 O\n0.161878 0.381212 0.338606 O\n0.618787 0.838123 0.838606 O\n0.838122 0.618788 0.661394 O\n0.117931 0.781151 0.905101 O\n0.882069 0.218850 0.094899 O\n0.781150 0.117932 0.594899 O\n0.363335 0.363335 0.750000 O\n0.218849 0.882069 0.405101 O\n0.636665 0.636665 0.250000 O\n",
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{
"id": "jvasp-26694",
"created_at": "2022-09-04T14:37:28.051061Z",
"updated_at": "2022-09-04T14:37:28.051092Z",
"structure_string": "Sm6 Si4 S16 Br2\n1.0\n7.606073 -0.000000 -0.000000\n-3.803036 7.735130 -1.193820\n-0.000000 -0.095783 10.854781\nSm Si S Br\n6 4 16 2\ndirect\n0.075198 0.396839 0.681560 Sm\n0.373552 0.000000 0.750000 Sm\n0.626448 0.000000 0.250000 Sm\n0.924802 0.603162 0.318440 Sm\n0.321639 0.396839 0.181560 Sm\n0.678360 0.603162 0.818440 Sm\n0.621694 0.315516 0.524319 Si\n0.306179 0.684485 0.975681 Si\n0.378305 0.684485 0.475681 Si\n0.693820 0.315516 0.024319 Si\n0.600389 0.868442 0.964128 S\n0.898099 0.287003 0.141440 S\n0.399610 0.131558 0.035872 S\n0.268052 0.868442 0.464128 S\n0.388902 0.287003 0.641440 S\n0.147937 0.431622 0.413726 S\n0.451090 0.709903 0.668924 S\n0.258813 0.709903 0.168924 S\n0.716315 0.568378 0.086274 S\n0.741187 0.290097 0.831076 S\n0.283685 0.431622 0.913726 S\n0.101900 0.712998 0.858560 S\n0.852062 0.568378 0.586274 S\n0.548910 0.290097 0.331076 S\n0.731948 0.131558 0.535872 S\n0.611098 0.712998 0.358560 S\n0.986116 0.000000 0.750000 Br\n0.013884 0.000000 0.250000 Br\n",
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],
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"volume": 637.7600518945429,
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{
"id": "jvasp-12652",
"created_at": "2022-09-04T14:37:28.008154Z",
"updated_at": "2022-09-04T14:37:28.008165Z",
"structure_string": "Mn2 P2 H4 O10\n1.0\n4.958484 -0.062332 -1.310580\n-0.825851 4.889623 -1.310580\n0.012123 0.014160 7.405058\nMn P H O\n2 2 4 10\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.577711 0.422288 0.750000 P\n0.422288 0.577712 0.250000 P\n0.887234 0.933090 0.297714 H\n0.933089 0.887234 0.797714 H\n0.112765 0.066910 0.702286 H\n0.066910 0.112766 0.202286 H\n0.270159 0.658143 0.404774 O\n0.658143 0.270159 0.904775 O\n0.729840 0.341856 0.595225 O\n0.340633 0.262445 0.154418 O\n0.262444 0.340633 0.654418 O\n0.659366 0.737555 0.845582 O\n0.098817 0.901183 0.750000 O\n0.901182 0.098817 0.250000 O\n0.341856 0.729841 0.095225 O\n0.737555 0.659367 0.345582 O\n",
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"density_atomic": 0.10036727007309065,
"volume": 179.34133295537305,
"volume_molar": 6.00010417301824,
"formula_full": "Mn2 P2 H4 O10",
"formula_reduced": "MnPH2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 15
},
{
"id": "jvasp-10334",
"created_at": "2022-09-04T14:37:28.213452Z",
"updated_at": "2022-09-04T14:37:28.213461Z",
"structure_string": "V2 Ge4 O12\n1.0\n5.412056 0.062987 1.282103\n1.501527 6.456400 0.755965\n0.175815 -0.001174 6.669353\nV Ge O\n2 4 12\ndirect\n0.750001 0.904265 0.095735 V\n0.250001 0.095736 0.904263 V\n0.756970 0.383877 0.206247 Ge\n0.743032 0.793753 0.616122 Ge\n0.243032 0.616125 0.793751 Ge\n0.256970 0.206248 0.383875 Ge\n0.623985 0.966439 0.826700 O\n0.876017 0.173299 0.033561 O\n0.748948 0.632734 0.078525 O\n0.751054 0.921474 0.367266 O\n0.251054 0.367268 0.921473 O\n0.564535 0.602429 0.665255 O\n-0.064533 0.334744 0.397571 O\n0.123985 0.826702 0.966437 O\n0.064534 0.665257 0.602427 O\n0.435467 0.397572 0.334743 O\n0.248947 0.078527 0.632733 O\n0.376017 0.033562 0.173298 O\n",
"nsites": 18,
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"elements": [
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"density": 4.201787912540639,
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"volume": 230.9679826825952,
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"formula_full": "V2 Ge4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-45577",
"created_at": "2022-09-04T14:37:28.219562Z",
"updated_at": "2022-09-04T14:37:28.219571Z",
"structure_string": "Mg2 Ni2 Ge4 O12\n1.0\n5.113223 -0.217625 0.908672\n1.050079 6.467582 0.611204\n-0.286781 -0.044294 6.574317\nMg Ni Ge O\n2 2 4 12\ndirect\n0.750000 0.266652 0.733348 Mg\n0.250000 0.733348 0.266651 Mg\n0.750000 0.909318 0.090680 Ni\n0.250000 0.090681 0.909319 Ni\n0.795232 0.397161 0.205596 Ge\n0.704768 0.794403 0.602838 Ge\n0.204768 0.602839 0.794403 Ge\n0.295232 0.205597 0.397162 Ge\n0.628077 0.975343 0.794987 O\n0.871923 0.205012 0.024656 O\n0.617317 0.629376 0.136469 O\n0.882683 0.863530 0.370623 O\n0.382683 0.370624 0.863530 O\n0.894410 0.564291 0.708733 O\n0.105590 0.435709 0.291267 O\n0.394410 0.708733 0.564291 O\n0.128077 0.794987 0.975343 O\n0.605590 0.291267 0.435709 O\n0.117317 0.136470 0.629377 O\n0.371923 0.024656 0.205013 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Mg2 Ni2 Ge4 O12",
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}
]
}