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{
"id": "jvasp-97442",
"created_at": "2022-09-04T14:35:57.457844Z",
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"structure_string": "K4 Nd2 P10 O30\n1.0\n7.139993 0.062743 -0.048993\n-2.229532 6.783261 -0.048993\n0.001858 0.002590 13.275479\nK Nd P O\n4 2 10 30\ndirect\n0.446302 0.196282 0.944767 K\n0.297986 0.687701 0.747480 K\n0.196282 0.446302 0.444767 K\n0.687701 0.297986 0.247480 K\n0.903354 0.097216 0.748170 Nd\n0.097217 0.903354 0.248170 Nd\n0.995130 0.385684 0.993686 P\n0.040289 0.814605 0.968223 P\n0.558598 0.806852 0.156787 P\n0.806852 0.558598 0.656787 P\n0.237455 0.435501 0.175752 P\n0.814604 0.040288 0.468223 P\n0.435502 0.237454 0.675752 P\n0.610705 0.756608 0.938965 P\n0.385684 0.995130 0.493686 P\n0.756608 0.610704 0.438965 P\n0.476576 0.562259 0.907548 O\n0.560218 0.117334 0.713574 O\n0.914874 0.440918 0.712576 O\n0.131968 0.923975 0.062131 O\n0.092436 0.612161 0.960442 O\n0.361859 0.177058 0.562355 O\n0.729501 0.808321 0.483233 O\n0.530377 0.843289 0.038556 O\n0.612161 0.092436 0.460442 O\n0.923975 0.131967 0.562131 O\n0.921493 0.650835 0.364512 O\n0.843289 0.530377 0.538556 O\n-0.004708 0.265875 0.901322 O\n0.562260 0.476575 0.407548 O\n0.349640 0.811887 0.553267 O\n0.465616 0.569354 0.165311 O\n0.440918 0.914874 0.212576 O\n0.650836 0.921493 0.864512 O\n0.245675 0.258418 0.233480 O\n0.852066 0.770877 0.684292 O\n0.811887 0.349639 0.053267 O\n0.117334 0.560218 0.213574 O\n0.808321 0.729500 0.983233 O\n0.177058 0.361859 0.062355 O\n0.569354 0.465616 0.665311 O\n0.092394 0.913782 0.868378 O\n0.913781 0.092393 0.368378 O\n0.770878 0.852066 0.184292 O\n0.265875 -0.004708 0.401322 O\n0.258419 0.245675 0.733480 O\n",
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{
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"structure_string": "K2 C2 N2\n1.0\n-0.031594 -2.290854 -3.659591\n0.031594 -2.290854 3.659591\n-7.927447 2.290854 1.050945\nK C N\n2 2 2\ndirect\n0.973669 0.448552 0.541645 K\n0.093092 0.067975 0.041645 K\n0.481367 0.703888 0.334992 C\n0.631103 0.353625 0.834992 C\n0.586385 0.839981 0.226362 N\n0.386380 0.139978 0.726362 N\n",
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{
"id": "jvasp-87310",
"created_at": "2022-09-04T14:35:59.230077Z",
"updated_at": "2022-09-04T14:35:59.230097Z",
"structure_string": "Ca4 B10 H4 Cl2 O20\n1.0\n11.470728 0.000000 -0.000103\n0.003282 5.680419 3.166268\n0.003282 -5.680419 3.166268\nCa B H Cl O\n4 10 4 2 20\ndirect\n0.502188 0.756530 0.253390 Ca\n0.002187 0.253390 0.756530 Ca\n0.777006 0.370836 0.321318 Ca\n0.277006 0.321317 0.370836 Ca\n0.061599 0.803268 0.291809 B\n0.561599 0.291809 0.803268 B\n0.336950 0.251090 0.779289 B\n0.836950 0.779290 0.251090 B\n0.225500 0.639353 0.013688 B\n0.725500 0.013688 0.639353 B\n0.271901 0.922328 0.854014 B\n0.771901 0.854014 0.922329 B\n0.264457 0.852308 0.450232 B\n0.764457 0.450233 0.852309 B\n0.512538 0.715088 0.783604 H\n0.012538 0.783603 0.715087 H\n0.543083 -0.009537 -0.046901 H\n0.043083 -0.046902 -0.009537 H\n0.026911 0.393296 0.411543 Cl\n0.526911 0.411543 0.393296 Cl\n0.502587 0.856262 0.949722 O\n0.095912 0.627945 0.061091 O\n0.595912 0.061091 0.627946 O\n0.240856 0.876056 0.028311 O\n0.740856 0.028311 0.876057 O\n0.254829 0.427885 0.784190 O\n0.754829 0.784190 0.427885 O\n0.450298 0.368431 0.872204 O\n0.950298 0.872204 0.368431 O\n0.292833 0.161915 0.935813 O\n0.293239 0.654538 0.212072 O\n0.793238 0.212072 0.654538 O\n0.143723 0.941850 0.466893 O\n0.643723 0.466893 0.941850 O\n0.347709 0.051643 0.524487 O\n0.847709 0.524487 0.051644 O\n0.274592 0.752322 0.611203 O\n0.774592 0.611203 0.752322 O\n0.792833 0.935813 0.161915 O\n0.002587 0.949722 0.856262 O\n",
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{
"id": "jvasp-106137",
"created_at": "2022-09-04T14:35:59.826090Z",
"updated_at": "2022-09-04T14:35:59.826108Z",
"structure_string": "Al4 Te6\n1.0\n6.595401 -0.031823 3.268138\n2.540539 6.086541 3.268138\n-0.038154 -0.025286 8.063951\nAl Te\n4 6\ndirect\n0.177205 0.987160 0.496954 Al\n0.808733 0.676904 0.504297 Al\n0.987161 0.177205 0.996953 Al\n0.676904 0.808733 0.004297 Al\n0.301405 0.140263 0.111317 Te\n0.987292 0.773748 0.118257 Te\n0.615821 0.448065 0.144128 Te\n0.140264 0.301405 0.611317 Te\n0.773748 0.987292 0.618257 Te\n0.448065 0.615821 0.644128 Te\n",
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"formula_full": "Al4 Te6",
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{
"id": "jvasp-48674",
"created_at": "2022-09-04T14:35:59.713562Z",
"updated_at": "2022-09-04T14:35:59.713592Z",
"structure_string": "Na4 Fe2 O6\n1.0\n2.755452 5.044550 0.191249\n-2.755452 5.044550 -0.191249\n-1.782355 0.000000 4.895887\nNa Fe O\n4 2 6\ndirect\n0.587465 0.594452 0.491923 Na\n0.259221 0.251774 0.509745 Na\n0.748225 0.740780 0.009745 Na\n0.405548 0.412534 0.991923 Na\n0.951953 0.916964 0.510932 Fe\n0.083036 0.048047 0.010932 Fe\n0.286137 0.862388 0.770257 O\n0.137611 0.713863 0.270257 O\n0.955604 0.625584 0.669694 O\n0.753690 0.145303 0.745251 O\n0.374416 0.044397 0.169694 O\n0.854696 0.246311 0.245251 O\n",
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{
"id": "jvasp-42559",
"created_at": "2022-09-04T14:36:01.956204Z",
"updated_at": "2022-09-04T14:36:01.956233Z",
"structure_string": "Na8 Cr2 O6\n1.0\n0.000000 5.787632 0.000000\n-5.375043 2.893816 0.198074\n-3.555630 0.000000 7.889811\nNa Cr O\n8 2 6\ndirect\n0.929592 0.788020 0.954493 Na\n0.282389 0.788020 0.454493 Na\n0.854783 0.604532 0.627667 Na\n0.487314 0.392217 0.850152 Na\n0.540687 0.604532 0.127667 Na\n0.120469 0.392217 0.350152 Na\n0.747350 0.224665 0.530326 Na\n0.027985 0.224665 0.030326 Na\n0.333333 0.038366 0.739590 Cr\n0.628301 0.038366 0.239590 Cr\n0.637038 0.696160 0.846024 O\n0.666801 0.696160 0.346024 O\n0.333303 0.353547 0.610720 O\n0.013935 0.117372 0.793394 O\n0.313151 0.353547 0.110720 O\n0.868694 0.117372 0.293394 O\n",
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{
"id": "jvasp-97394",
"created_at": "2022-09-04T14:36:03.062846Z",
"updated_at": "2022-09-04T14:36:03.062871Z",
"structure_string": "Cd8 Ge2 S12\n1.0\n6.882603 0.000000 2.072268\n3.146543 6.166499 2.015114\n0.002107 0.009160 12.458696\nCd Ge S\n8 2 12\ndirect\n0.286702 -0.000118 0.640081 Cd\n0.764728 0.242642 0.452932 Cd\n0.539698 0.742642 0.952932 Cd\n0.918433 0.679379 0.644085 Cd\n0.758103 0.179379 0.144085 Cd\n0.668458 0.258925 0.801259 Cd\n0.271358 0.758925 0.301258 Cd\n0.073335 0.499882 0.140081 Cd\n0.672489 0.802985 0.390355 Ge\n0.134171 0.302985 0.890355 Ge\n0.912636 0.043355 0.638259 S\n0.699533 0.835824 0.203649 S\n0.428288 0.133233 0.973901 S\n0.475189 0.128480 0.441167 S\n0.955164 0.628481 0.941167 S\n0.963557 0.098687 0.939839 S\n-0.002082 0.598687 0.439838 S\n0.011006 0.170210 0.258676 S\n0.560108 0.670210 0.758677 S\n0.260994 0.335824 0.703650 S\n0.464579 0.633233 0.473900 S\n0.405750 0.543355 0.138259 S\n",
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{
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"created_at": "2022-09-04T14:36:04.547952Z",
"updated_at": "2022-09-04T14:36:04.547971Z",
"structure_string": "Li4 Mn4 B4 O12\n1.0\n5.197320 0.006479 0.015906\n2.585275 4.508717 -0.015906\n-0.183562 0.316396 10.342163\nLi Mn B O\n4 4 4 12\ndirect\n0.321393 0.652082 0.333174 Li\n0.347919 0.678609 0.833174 Li\n0.652499 0.337241 0.583298 Li\n0.662760 0.347502 0.083298 Li\n0.331098 0.000633 0.115810 Mn\n0.676209 0.007046 0.865644 Mn\n0.992955 0.323792 0.365644 Mn\n-0.000632 0.668903 0.615810 Mn\n0.657159 0.998316 0.374203 B\n0.997370 0.665504 0.124004 B\n0.001685 0.342842 0.874203 B\n0.334496 0.002631 0.624004 B\n0.751252 0.933017 0.084008 O\n0.066984 0.248749 0.584008 O\n0.255564 0.068629 0.902274 O\n0.031030 0.583908 0.834970 O\n0.581278 0.034231 0.652769 O\n0.272992 0.641396 0.138826 O\n0.358605 0.727009 0.638826 O\n0.628687 0.275131 0.389116 O\n0.724870 0.371315 0.889116 O\n0.416094 0.968971 0.334970 O\n0.965770 0.418723 0.152769 O\n0.931372 0.744437 0.402274 O\n",
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},
{
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"created_at": "2022-09-04T14:36:05.347169Z",
"updated_at": "2022-09-04T14:36:05.347197Z",
"structure_string": "V2 O4 F2\n1.0\n4.459070 -0.046456 2.390922\n1.753465 4.100101 2.390922\n-0.013931 -0.009090 5.202004\nV O F\n2 4 2\ndirect\n0.764066 0.235301 0.811496 V\n0.235301 0.764065 0.311497 V\n0.850612 0.559426 0.609391 O\n0.057442 0.965748 0.601454 O\n0.559427 0.850611 0.109391 O\n0.965749 0.057442 0.101454 O\n0.451067 0.358765 0.614009 F\n0.358765 0.451067 0.114010 F\n",
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{
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"created_at": "2022-09-04T14:36:06.640286Z",
"updated_at": "2022-09-04T14:36:06.640307Z",
"structure_string": "Sc2 H2 O4\n1.0\n1.832088 5.507571 1.070665\n-1.993829 5.472690 0.656907\n0.581464 0.460183 3.776851\nSc H O\n2 2 4\ndirect\n0.444217 0.800671 0.330912 Sc\n0.580365 0.164514 0.694770 Sc\n0.060669 0.467559 0.448960 H\n-0.018237 0.046434 0.027854 H\n0.348481 0.248617 0.279741 O\n0.643830 0.755725 0.733377 O\n-0.118576 0.215644 0.246805 O\n0.137500 0.762072 0.739675 O\n",
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"volume": 76.50306740114084,
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{
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"created_at": "2022-09-04T14:36:07.803319Z",
"updated_at": "2022-09-04T14:36:07.803344Z",
"structure_string": "Te2 Se2 O8\n1.0\n4.110159 0.006730 -1.247249\n-1.006430 6.005320 -3.070802\n0.058917 -0.012891 7.483549\nTe Se O\n2 2 8\ndirect\n0.142976 0.886949 0.775245 Te\n0.867828 0.111847 0.224933 Te\n0.605880 0.623976 0.239744 Se\n0.866216 0.384338 0.760435 Se\n0.793498 0.943377 0.901488 O\n0.155338 0.215512 0.792948 O\n0.657489 0.746816 0.504643 O\n0.862476 0.422598 0.207069 O\n0.392099 0.042040 0.098688 O\n0.889191 0.805374 0.228387 O\n0.652941 0.242518 0.495526 O\n0.161076 0.577156 0.771996 O\n",
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"formula_full": "Te2 Se2 O8",
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},
{
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"created_at": "2022-09-04T14:36:07.842439Z",
"updated_at": "2022-09-04T14:36:07.842457Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.381567 -5.412545 -0.019271\n4.381567 5.412545 -0.019271\n-0.021161 0.000000 4.883059\nMn O F\n8 14 2\ndirect\n0.426938 0.064540 0.272163 Mn\n0.073547 0.427975 0.741890 Mn\n0.935235 0.079906 0.232823 Mn\n0.579906 0.435236 0.732823 Mn\n0.421333 0.584563 0.253964 Mn\n0.084563 0.921333 0.753964 Mn\n0.564540 0.926938 0.772164 Mn\n0.927976 0.573547 0.241890 Mn\n0.941196 0.826694 0.073918 O\n0.825319 0.440878 0.910839 O\n0.940878 0.325319 0.410839 O\n0.439775 0.826442 0.434788 O\n0.326443 0.939774 0.934788 O\n0.673398 0.559692 0.412375 O\n0.556544 0.673949 0.923801 O\n0.058153 0.673178 0.575117 O\n0.560100 0.173541 0.591025 O\n0.173178 0.558153 0.075117 O\n0.673540 0.060100 0.091025 O\n0.173948 0.056544 0.423801 O\n0.059692 0.173397 0.912375 O\n0.326694 0.441196 0.573918 O\n0.438074 0.319040 0.077298 F\n0.819041 0.938074 0.577298 F\n",
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"spacegroup": 9
}
]
}