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{
"id": "jvasp-43692",
"created_at": "2022-09-04T14:38:08.659581Z",
"updated_at": "2022-09-04T14:38:08.659604Z",
"structure_string": "Li2 V2 P4 H2 O16\n1.0\n4.839508 -0.032900 -0.002520\n1.947719 7.141464 -0.008856\n0.004873 0.008097 7.879068\nLi V P H O\n2 2 4 2 16\ndirect\n0.401657 0.145079 0.876972 Li\n0.901858 0.645023 0.625930 Li\n0.491782 0.004551 0.495919 V\n0.991685 0.504585 0.007033 V\n0.131054 0.741217 0.342154 P\n0.371093 0.763693 0.844744 P\n0.630918 0.241219 0.160754 P\n0.871094 0.263699 0.658175 P\n0.968763 0.011731 0.012382 H\n0.468932 0.511740 0.490435 H\n0.834551 0.368723 0.176962 O\n0.744195 0.444376 0.564622 O\n0.635305 0.641475 0.943198 O\n0.487943 0.807290 0.670228 O\n0.755187 0.061568 0.054876 O\n0.657729 0.140122 0.680217 O\n0.334738 0.868686 0.325952 O\n0.157834 0.640044 0.822702 O\n0.547334 0.185513 0.336871 O\n0.363242 0.342793 0.056672 O\n0.255388 0.561526 0.447945 O\n0.987799 0.307355 0.832705 O\n0.047329 0.685571 0.166054 O\n0.135355 0.141361 0.559807 O\n0.243998 0.944416 0.938217 O\n0.863424 0.842781 0.446320 O\n",
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"structure_string": "Tm3 Pb1 C1\n1.0\n4.810142 -0.000000 0.000000\n0.000000 4.810142 0.000000\n0.000000 0.000000 4.810142\nTm Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-55728",
"created_at": "2022-09-04T14:38:08.646030Z",
"updated_at": "2022-09-04T14:38:08.646060Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.619222 -0.000000 0.000000\n0.000000 7.269219 0.000000\n0.000000 0.000000 9.194425\nRb H C O\n4 4 4 8\ndirect\n0.950764 0.500000 0.250000 Rb\n0.049236 0.000000 0.750000 Rb\n0.049236 0.500000 0.750000 Rb\n0.950764 0.000000 0.250000 Rb\n0.423095 0.750000 0.034951 H\n0.423095 0.250000 0.465049 H\n0.576905 0.750000 0.534951 H\n0.576905 0.250000 0.965050 H\n0.603920 0.250000 0.546084 C\n0.603920 0.750000 0.953917 C\n0.396080 0.750000 0.453916 C\n0.396080 0.250000 0.046084 C\n0.139486 0.250000 0.996677 O\n0.139486 0.750000 0.503324 O\n0.860514 0.250000 0.496677 O\n0.860514 0.750000 0.003323 O\n0.465017 0.250000 0.179745 O\n0.465017 0.750000 0.320255 O\n0.534982 0.750000 0.820256 O\n0.534982 0.250000 0.679745 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.06478117680701627,
"volume": 308.73165610405914,
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"formula_full": "Rb4 H4 C4 O8",
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{
"id": "jvasp-17782",
"created_at": "2022-09-04T14:38:08.644784Z",
"updated_at": "2022-09-04T14:38:08.644807Z",
"structure_string": "Tb1 In5 Rh1\n1.0\n4.659527 0.000000 -0.000000\n0.000000 4.659527 -0.000000\n0.000000 -0.000000 7.520581\nTb In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.699377 In\n0.000000 0.500000 0.300622 In\n0.500000 0.000000 0.300622 In\n0.000000 0.500000 0.699377 In\n0.000000 0.000000 0.500000 Rh\n",
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"spacegroup": 123
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{
"id": "jvasp-12704",
"created_at": "2022-09-04T14:38:08.644006Z",
"updated_at": "2022-09-04T14:38:08.644034Z",
"structure_string": "Li2 Mo4 O8\n1.0\n5.285096 -0.001100 3.049572\n1.906941 4.779481 2.801588\n0.144868 -0.201441 5.853769\nLi Mo O\n2 4 8\ndirect\n0.124983 0.125012 0.125012 Li\n0.874972 0.875036 0.874996 Li\n0.502333 0.479854 0.479851 Mo\n0.479854 0.037954 0.502336 Mo\n0.037972 0.479857 0.479850 Mo\n0.479854 0.502325 0.037960 Mo\n0.220072 0.296633 0.763237 O\n0.712057 0.751087 0.751084 O\n0.751099 0.712043 0.285770 O\n0.220082 0.763235 0.296622 O\n0.296638 0.220054 0.220074 O\n0.285772 0.751084 0.751093 O\n0.751088 0.285777 0.712048 O\n0.763232 0.220054 0.220067 O\n",
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{
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"created_at": "2022-09-04T14:38:08.636551Z",
"updated_at": "2022-09-04T14:38:08.636566Z",
"structure_string": "Pr1 Pb3\n1.0\n4.936123 -0.000000 -0.000000\n0.000000 4.936123 -0.000000\n0.000000 0.000000 4.936123\nPr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
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{
"id": "jvasp-37166",
"created_at": "2022-09-04T14:38:08.632824Z",
"updated_at": "2022-09-04T14:38:08.632854Z",
"structure_string": "Zn1 N1\n1.0\n2.154242 2.154242 0.000000\n2.154242 -0.000000 -2.154242\n-0.000000 2.154242 -2.154242\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 N\n",
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"elements": [
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{
"id": "jvasp-43525",
"created_at": "2022-09-04T14:38:08.626217Z",
"updated_at": "2022-09-04T14:38:08.626244Z",
"structure_string": "Li4 V1 Cr3 O8\n1.0\n-5.026554 0.000112 -0.000841\n-0.000277 -5.807134 -0.000717\n1.681202 2.902745 4.818282\nLi V Cr O\n4 1 3 8\ndirect\n0.005295 0.752205 0.004395 Li\n0.994705 0.247793 0.995604 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.499999 0.500000 V\n-0.000006 0.252994 0.500003 Cr\n0.000006 0.747004 0.499996 Cr\n0.500000 -0.000000 0.500000 Cr\n0.758984 0.382578 0.265139 O\n0.758231 0.888382 0.276745 O\n0.255583 0.132759 0.268234 O\n0.744417 0.867239 0.731765 O\n0.744414 0.364505 0.731772 O\n0.241016 0.617420 0.734860 O\n0.255586 0.635493 0.268228 O\n0.241769 0.111617 0.723254 O\n",
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{
"id": "jvasp-31338",
"created_at": "2022-09-04T14:38:08.625565Z",
"updated_at": "2022-09-04T14:38:08.625591Z",
"structure_string": "In6 Te3 O18\n1.0\n4.515111 -7.820402 -0.000000\n4.515111 7.820402 0.000000\n-0.000000 -0.000000 4.871264\nIn Te O\n6 3 18\ndirect\n0.000000 0.630145 0.000000 In\n0.369855 0.369855 0.000000 In\n0.630145 0.000000 0.000000 In\n0.000000 0.293530 0.500000 In\n0.706470 0.706470 0.500000 In\n0.293530 0.000000 0.500000 In\n0.333333 0.666667 0.509039 Te\n0.666667 0.333333 0.490960 Te\n0.000000 0.000000 0.000000 Te\n0.589484 0.461416 0.265637 O\n0.761393 0.220827 0.716260 O\n0.220827 0.761393 0.283739 O\n0.540566 0.779173 0.283739 O\n0.238607 0.459434 0.283739 O\n0.538583 0.128068 0.265637 O\n0.871931 0.410516 0.265637 O\n0.461416 0.589484 0.734362 O\n0.206231 0.120471 0.221149 O\n0.410516 0.871931 0.734362 O\n0.914239 0.793769 0.221149 O\n0.459434 0.238607 0.716260 O\n0.879529 0.085761 0.221149 O\n0.085761 0.879529 0.778850 O\n0.793769 0.914239 0.778850 O\n0.120471 0.206231 0.778850 O\n0.128068 0.538583 0.734362 O\n0.779173 0.540566 0.716260 O\n",
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{
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"created_at": "2022-09-04T14:38:08.623904Z",
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"structure_string": "Ca4 Al2 Ni2 O10\n1.0\n5.267970 0.001006 -0.000157\n-0.001022 5.649601 -0.002659\n-2.633362 -2.821683 7.052308\nCa Al Ni O\n4 2 2 10\ndirect\n0.101326 0.571560 0.212303 Ca\n0.388745 0.858971 0.787099 Ca\n0.888732 0.428483 0.787093 Ca\n0.601340 0.141073 0.212293 Ca\n0.205558 0.169002 0.499678 Al\n0.705579 0.831045 0.499718 Al\n0.508030 0.500022 0.999696 Ni\n0.008028 0.000021 0.999695 Ni\n0.770244 0.774225 0.035801 O\n0.734143 0.225823 0.963587 O\n0.884758 0.787409 0.712737 O\n0.171718 0.212632 0.286655 O\n0.868962 0.109387 0.499701 O\n0.671825 0.574354 0.286756 O\n0.368958 0.890655 0.499692 O\n0.270244 0.761916 0.035804 O\n0.384756 0.425690 0.712637 O\n0.234147 0.238119 0.963593 O\n",
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{
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"created_at": "2022-09-04T14:38:08.621883Z",
"updated_at": "2022-09-04T14:38:08.621910Z",
"structure_string": "Al8 Mo3\n1.0\n3.662114 0.000000 0.000000\n-1.831057 4.546541 -0.860720\n0.000000 0.010072 10.113218\nAl Mo\n8 3\ndirect\n0.272361 0.544724 0.909889 Al\n0.727636 0.455276 0.090112 Al\n0.460357 0.920717 0.179108 Al\n0.539640 0.079282 0.820892 Al\n0.186680 0.373361 0.278262 Al\n0.813318 0.626638 0.721738 Al\n0.368695 0.737393 0.541523 Al\n0.631303 0.262607 0.458477 Al\n0.000000 0.000000 0.000000 Mo\n0.094682 0.189365 0.659684 Mo\n0.905315 0.810634 0.340316 Mo\n",
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{
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"created_at": "2022-09-04T14:38:08.617723Z",
"updated_at": "2022-09-04T14:38:08.617760Z",
"structure_string": "Sm4 Ni4 B16\n1.0\n-3.818203 3.818203 4.291409\n3.818203 -3.818203 4.291409\n3.818203 3.818203 -4.291409\nSm Ni B\n4 4 16\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.205878 0.205878 0.000000 Sm\n0.794122 0.794122 0.000000 Sm\n0.500000 0.271835 0.771834 Ni\n0.500000 0.728165 0.228165 Ni\n0.728165 0.500000 0.228165 Ni\n0.271835 0.500000 0.771834 Ni\n0.275209 0.111776 0.386986 B\n0.724790 0.888224 0.613011 B\n0.111776 0.724788 0.836564 B\n0.888224 0.275211 0.163435 B\n0.888224 0.724790 0.613011 B\n0.111776 0.275209 0.386986 B\n0.416685 0.887981 0.000000 B\n0.112020 0.583314 0.000000 B\n0.112019 0.112019 0.528705 B\n0.583314 0.583314 0.471295 B\n0.724788 0.111776 0.836564 B\n0.583314 0.112020 0.000000 B\n0.887981 0.887981 0.471295 B\n0.416684 0.416684 0.528705 B\n0.887981 0.416685 0.000000 B\n0.275211 0.888224 0.163435 B\n",
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}