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{
"id": "jvasp-86121",
"created_at": "2022-09-04T14:36:01.421542Z",
"updated_at": "2022-09-04T14:36:01.421577Z",
"structure_string": "Li4 B4 H8\n1.0\n3.064748 0.000000 0.000000\n-0.000000 5.349471 0.000000\n0.000000 0.000000 8.334706\nLi B H\n4 4 8\ndirect\n0.750001 0.838558 0.771730 Li\n0.750001 0.661442 0.271730 Li\n0.250000 0.338558 0.728270 Li\n0.250000 0.161442 0.228270 Li\n0.250000 0.417489 0.454707 B\n0.250000 0.082511 0.954707 B\n0.750001 0.917488 0.045293 B\n0.750001 0.582511 0.545293 B\n0.750001 0.432897 0.414203 H\n0.750001 0.704127 0.990350 H\n0.250000 0.295873 0.009651 H\n0.250000 0.204127 0.509651 H\n0.250000 0.567103 0.585797 H\n0.750001 0.795873 0.490349 H\n0.250000 0.932897 0.085797 H\n0.750001 0.067103 0.914204 H\n",
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{
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"structure_string": "Li4 B4 H8\n1.0\n3.064814 -0.000000 0.000000\n0.000000 5.347049 0.000000\n0.000000 0.000000 8.340582\nLi B H\n4 4 8\ndirect\n0.749999 0.837331 0.772277 Li\n0.749999 0.662669 0.272277 Li\n0.250000 0.337331 0.727723 Li\n0.250000 0.162669 0.227723 Li\n0.250000 0.417664 0.454574 B\n0.250000 0.082336 0.954574 B\n0.749999 0.917664 0.045426 B\n0.749999 0.582336 0.545426 B\n0.749999 0.433215 0.414149 H\n0.749999 0.703960 0.990928 H\n0.250000 0.296040 0.009071 H\n0.250000 0.203960 0.509071 H\n0.250000 0.566785 0.585850 H\n0.749999 0.796041 0.490929 H\n0.250000 0.933215 0.085851 H\n0.749999 0.066785 0.914149 H\n",
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{
"id": "jvasp-51707",
"created_at": "2022-09-04T14:37:54.246343Z",
"updated_at": "2022-09-04T14:37:54.246376Z",
"structure_string": "Li8 H12 Os2\n1.0\n4.076941 2.353823 3.333973\n-4.076941 2.353823 3.333973\n-0.000000 -4.707646 3.333973\nLi H Os\n8 12 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.750000 Li\n0.638133 0.861865 0.250000 Li\n0.861865 0.249999 0.638134 Li\n0.249999 0.638133 0.861866 Li\n0.138134 0.749999 0.361866 Li\n0.749999 0.361865 0.138134 Li\n0.361865 0.138134 0.750000 Li\n0.292509 0.953809 0.055563 H\n0.055562 0.292509 0.953810 H\n0.953809 0.055562 0.292509 H\n0.555562 0.453808 0.792510 H\n0.792508 0.555562 0.453810 H\n0.453808 0.792508 0.555563 H\n0.444437 0.546190 0.207491 H\n0.944436 0.707490 0.046191 H\n0.046190 0.944436 0.707491 H\n0.499999 0.499999 0.500000 H\n0.207490 0.444436 0.546191 H\n0.546190 0.207490 0.444437 H\n0.707490 0.046190 0.944437 Os\n0.000000 0.000000 0.000000 Os\n",
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"elements": [
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"volume": 191.96478088244749,
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"formula_full": "Li8 H12 Os2",
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"spacegroup": 1
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{
"id": "jvasp-48392",
"created_at": "2022-09-04T14:36:06.952519Z",
"updated_at": "2022-09-04T14:36:06.952545Z",
"structure_string": "Li6 Mn2 P4 O16\n1.0\n0.000000 4.746633 -0.011378\n5.789775 0.000000 0.000000\n0.000000 -0.343520 -10.047641\nLi Mn P O\n6 2 4 16\ndirect\n0.096461 0.750001 0.068814 Li\n0.506256 0.750001 0.228193 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.493744 0.250000 0.771807 Li\n0.903538 0.250000 0.931186 Li\n0.971053 0.250000 0.274069 Mn\n0.028946 0.750001 0.725931 Mn\n0.607042 0.750001 0.903832 P\n0.068300 0.250000 0.587643 P\n0.931700 0.750001 0.412358 P\n0.392957 0.250000 0.096168 P\n0.742760 0.961292 0.830596 O\n0.742760 0.538710 0.830596 O\n0.211652 0.461822 0.659020 O\n0.211652 0.038179 0.659020 O\n0.749883 0.250000 0.585655 O\n0.803612 0.750001 0.555873 O\n0.196388 0.250000 0.444127 O\n0.720615 0.250000 0.113892 O\n0.788347 0.961822 0.340980 O\n0.788347 0.538179 0.340980 O\n0.257240 0.461291 0.169404 O\n0.257240 0.038709 0.169404 O\n0.279385 0.750001 0.886108 O\n0.689891 0.750001 0.051059 O\n0.250116 0.750001 0.414345 O\n0.310108 0.250000 0.948941 O\n",
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"formula_full": "Li6 Mn2 P4 O16",
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{
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"created_at": "2022-09-04T14:38:11.395142Z",
"updated_at": "2022-09-04T14:38:11.395166Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n5.933672 -0.063047 0.025466\n2.912236 5.170234 0.025466\n2.969428 1.714400 4.849056\nZn Cr O\n2 4 8\ndirect\n0.125001 0.624999 0.625001 Zn\n0.625000 0.124999 0.625001 Zn\n0.000896 0.000896 0.999105 Cr\n0.249104 0.249103 0.250897 Cr\n0.625000 0.624999 0.125001 Cr\n0.625000 0.624999 0.625002 Cr\n0.384296 0.384295 0.375196 O\n0.408457 0.858329 0.366608 O\n0.384296 0.384295 0.856214 O\n0.858331 0.408455 0.366608 O\n0.391670 0.841542 0.883395 O\n0.841544 0.391668 0.883395 O\n0.865704 0.865702 0.393789 O\n0.865704 0.865702 0.874807 O\n",
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"volume": 149.1243059858294,
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"formula_full": "Zn2 Cr4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
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{
"id": "jvasp-90403",
"created_at": "2022-09-04T14:35:52.559759Z",
"updated_at": "2022-09-04T14:35:52.559785Z",
"structure_string": "As2 Pd1 O6\n1.0\n0.000008 -0.000019 -4.657326\n-2.464075 -4.267870 -0.000013\n-2.464045 4.267853 0.000021\nAs Pd O\n2 1 6\ndirect\n0.500000 0.333329 0.666663 As\n0.500000 0.666669 0.333334 As\n0.000000 0.000000 0.000000 Pd\n0.278309 0.371128 0.371126 O\n0.278309 0.628869 -0.000004 O\n0.278312 -0.000000 0.628871 O\n0.721691 0.628870 0.628872 O\n0.721691 0.371128 0.000002 O\n0.721689 0.000001 0.371127 O\n",
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"formula_full": "As2 Pd1 O6",
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{
"id": "jvasp-15695",
"created_at": "2022-09-04T14:36:56.975062Z",
"updated_at": "2022-09-04T14:36:56.975078Z",
"structure_string": "As2 Pd1 O6\n1.0\n2.464149 -4.268032 0.000000\n2.464149 4.268032 -0.000000\n0.000000 0.000000 4.657731\nAs Pd O\n2 1 6\ndirect\n0.333333 0.666667 0.500000 As\n0.666667 0.333333 0.500000 As\n0.000000 0.000000 0.000000 Pd\n0.371135 0.371135 0.721667 O\n0.628865 0.000000 0.721667 O\n0.000000 0.628865 0.721667 O\n0.371135 0.000000 0.278333 O\n0.000000 0.371135 0.278333 O\n0.628865 0.628865 0.278333 O\n",
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{
"id": "jvasp-7650",
"created_at": "2022-09-04T14:37:03.887894Z",
"updated_at": "2022-09-04T14:37:03.887921Z",
"structure_string": "Pr1 Pt5\n1.0\n2.716711 -4.705481 -0.000000\n2.716711 4.705481 -0.000000\n0.000000 0.000000 4.441626\nPr Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.500000 Pt\n",
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},
{
"id": "jvasp-23407",
"created_at": "2022-09-04T14:37:37.032950Z",
"updated_at": "2022-09-04T14:37:37.032958Z",
"structure_string": "Ti4 P8\n1.0\n3.380267 0.000000 0.000000\n-0.000000 6.227419 0.000000\n0.000000 0.000000 8.304960\nTi P\n4 8\ndirect\n0.250000 0.766478 0.665747 Ti\n0.750001 0.233522 0.334253 Ti\n0.250000 0.266478 0.834253 Ti\n0.750001 0.733523 0.165747 Ti\n0.250000 0.415521 0.139133 P\n0.750001 0.584479 0.860867 P\n0.250000 0.915521 0.360867 P\n0.750001 0.084479 0.639133 P\n0.750001 0.120940 0.040249 P\n0.250000 0.879060 0.959751 P\n0.750001 0.620940 0.459751 P\n0.250000 0.379060 0.540249 P\n",
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"structure_string": "Sr2 Ti2 Si4 O14\n1.0\n5.059328 0.000000 -1.869518\n0.000000 7.135591 -0.000000\n-0.015274 0.000000 7.739254\nSr Ti Si O\n2 2 4 14\ndirect\n0.801357 0.250000 0.602712 Sr\n0.198645 0.750000 0.397287 Sr\n0.890696 0.750000 0.781389 Ti\n0.109305 0.250000 0.218610 Ti\n0.609805 0.524850 0.219610 Si\n0.609805 0.975150 0.219610 Si\n0.390196 0.024850 0.780390 Si\n0.390196 0.475150 0.780390 Si\n0.992672 0.250000 0.985341 O\n0.595823 0.562710 0.690362 O\n0.905460 0.437290 0.309637 O\n0.500000 0.500000 -0.000000 O\n0.595823 0.937289 0.690362 O\n0.905460 0.062710 0.309637 O\n0.094541 0.937289 0.690362 O\n0.404178 0.062710 0.309638 O\n0.094541 0.562710 0.690362 O\n0.404178 0.437290 0.309638 O\n0.007329 0.750000 0.014658 O\n0.359346 0.250000 0.718690 O\n0.640655 0.750000 0.281310 O\n0.500000 0.000000 -0.000000 O\n",
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{
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{
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"structure_string": "Ca2 V4 O10\n1.0\n3.759646 0.000000 0.000000\n-1.879822 5.557237 0.000000\n0.000000 0.000000 11.186433\nCa V O\n2 4 10\ndirect\n0.898827 0.797649 0.750000 Ca\n0.101176 0.202352 0.250000 Ca\n0.202715 0.405431 0.596354 V\n0.797288 0.594571 0.403645 V\n0.797288 0.594571 0.096355 V\n0.202715 0.405431 0.903646 V\n0.711603 0.423203 0.250000 O\n0.288401 0.576799 0.750000 O\n0.240679 0.481355 0.074665 O\n0.759325 0.518647 0.925335 O\n0.759325 0.518647 0.574665 O\n0.240679 0.481355 0.425334 O\n0.055643 0.111284 0.616895 O\n0.944359 0.888715 0.383105 O\n0.055643 0.111284 0.883105 O\n0.944359 0.888715 0.116896 O\n",
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]
}