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{
"id": "jvasp-15674",
"created_at": "2022-09-04T14:37:09.222535Z",
"updated_at": "2022-09-04T14:37:09.222562Z",
"structure_string": "Pr1 Ni2 B2 C1\n1.0\n3.544914 -0.000000 -1.231245\n-0.427645 3.519024 -1.231245\n-0.037719 -0.042580 5.610157\nPr Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250001 0.749999 0.500001 Ni\n0.749999 0.250000 0.500001 Ni\n0.650476 0.650476 0.300954 B\n0.349523 0.349523 0.699048 B\n0.500000 0.499999 0.000001 C\n",
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{
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{
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"updated_at": "2022-09-04T14:37:05.886351Z",
"structure_string": "Pr4 Be4 Ge2 O14\n1.0\n7.668790 0.000000 0.000000\n-0.000000 7.668790 -0.000000\n0.000000 0.000000 4.946259\nPr Be Ge O\n4 4 2 14\ndirect\n0.659535 0.840465 0.503911 Pr\n0.159535 0.659535 0.496090 Pr\n0.840465 0.340465 0.496090 Pr\n0.340465 0.159535 0.503911 Pr\n0.366627 0.866627 0.040246 Be\n0.866627 0.633373 0.959755 Be\n0.633373 0.133373 0.040246 Be\n0.133373 0.366627 0.959755 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.858161 0.641839 0.280866 O\n0.358161 0.858161 0.719134 O\n0.641839 0.141839 0.719134 O\n0.141839 0.358161 0.280866 O\n0.500000 0.000000 0.168796 O\n0.000000 0.500000 0.831204 O\n0.174125 0.922645 0.204038 O\n0.325875 0.422645 0.795962 O\n0.422645 0.674125 0.204038 O\n0.577355 0.325875 0.204038 O\n0.077355 0.174125 0.795962 O\n0.922645 0.825875 0.795962 O\n0.674125 0.577355 0.795962 O\n0.825875 0.077355 0.204038 O\n",
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{
"id": "jvasp-51779",
"created_at": "2022-09-04T14:37:06.001773Z",
"updated_at": "2022-09-04T14:37:06.001796Z",
"structure_string": "Ni2 H4 S2 O10\n1.0\n3.005952 3.835710 -1.559183\n-3.005952 3.835710 1.559183\n0.038447 0.000000 7.381810\nNi H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.429708 0.156732 0.797249 H\n0.156732 0.429707 0.702751 H\n0.570292 0.843268 0.202751 H\n0.843268 0.570292 0.297249 H\n0.841141 0.841140 0.750000 S\n0.158859 0.158859 0.250000 S\n0.384070 0.161345 0.158869 O\n0.161345 0.384069 0.341131 O\n0.615931 0.838655 0.841131 O\n0.838655 0.615930 0.658869 O\n0.120737 0.779079 0.908538 O\n0.879263 0.220920 0.091463 O\n0.779080 0.120737 0.591463 O\n0.368765 0.368765 0.750000 O\n0.220921 0.879263 0.408538 O\n0.631235 0.631235 0.250000 O\n",
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{
"id": "jvasp-100459",
"created_at": "2022-09-04T14:37:09.276553Z",
"updated_at": "2022-09-04T14:37:09.276858Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n",
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"volume": 119.00497219420836,
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"formula_full": "Ba1 Nd1 Mn2 O6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-10715",
"created_at": "2022-09-04T14:37:20.027239Z",
"updated_at": "2022-09-04T14:37:20.027262Z",
"structure_string": "Sr2 Cu1 P2 O8\n1.0\n5.115194 0.000000 0.000000\n-2.557597 5.548845 -1.643199\n0.000000 -0.016327 6.607234\nSr Cu P O\n2 1 2 8\ndirect\n0.170384 0.340768 0.217472 Sr\n0.829614 0.659231 0.782527 Sr\n0.499999 -0.000000 0.500000 Cu\n0.856094 0.712190 0.290030 P\n0.143904 0.287809 0.709969 P\n0.376570 0.263293 0.561412 O\n0.113276 0.736706 0.438586 O\n0.623428 0.736706 0.438586 O\n0.886722 0.263293 0.561412 O\n0.726715 0.453431 0.138516 O\n0.050027 0.100054 0.831138 O\n0.949971 0.899944 0.168861 O\n0.273283 0.546567 0.861483 O\n",
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{
"id": "jvasp-22923",
"created_at": "2022-09-04T14:37:32.449358Z",
"updated_at": "2022-09-04T14:37:32.449379Z",
"structure_string": "K7 Nb1 S6 O24\n1.0\n8.772107 -0.025571 -3.115899\n-4.405990 7.585366 -3.115898\n-0.014769 -0.025572 9.309053\nK Nb S O\n7 1 6 24\ndirect\n0.683226 0.837637 0.339242 K\n0.339242 0.683227 0.837636 K\n0.837636 0.339243 0.683226 K\n0.316774 0.162364 0.660758 K\n0.660758 0.316774 0.162364 K\n0.162364 0.660758 0.316774 K\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Nb\n0.741956 0.613277 0.967114 S\n0.386724 0.032886 0.258044 S\n0.258045 0.386724 0.032886 S\n0.032886 0.258045 0.386723 S\n0.613277 0.967115 0.741956 S\n0.967115 0.741956 0.613277 S\n0.466283 0.783405 0.637468 O\n0.105799 0.240393 0.026955 O\n0.759607 0.973045 0.894201 O\n0.973045 0.894202 0.759607 O\n0.894202 0.759608 0.973044 O\n0.567497 0.091472 0.830527 O\n0.533717 0.216596 0.362532 O\n0.091472 0.830528 0.567496 O\n0.830528 0.567497 0.091472 O\n0.432504 0.908529 0.169473 O\n0.908529 0.169473 0.432504 O\n0.169473 0.432504 0.908528 O\n0.689874 0.016586 0.640880 O\n0.016585 0.640881 0.689873 O\n0.640881 0.689874 0.016585 O\n0.310127 0.983415 0.359120 O\n0.983415 0.359120 0.310127 O\n0.359120 0.310127 0.983415 O\n0.240393 0.026956 0.105798 O\n0.026955 0.105799 0.240393 O\n0.362533 0.533718 0.216596 O\n0.216596 0.362533 0.533717 O\n0.637468 0.466283 0.783404 O\n0.783405 0.637468 0.466283 O\n",
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{
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"created_at": "2022-09-04T14:37:27.771579Z",
"updated_at": "2022-09-04T14:37:27.771598Z",
"structure_string": "K2 Nd2 Ge2 S8\n1.0\n0.000000 6.629967 0.019602\n6.723758 0.000000 0.000000\n0.000000 -2.613391 -8.190989\nK Nd Ge S\n2 2 2 8\ndirect\n0.733211 0.990944 0.935352 K\n0.266790 0.490944 0.064648 K\n0.229615 0.503009 0.553394 Nd\n0.770386 0.003009 0.446606 Nd\n0.781214 0.473377 0.685025 Ge\n0.218786 0.973377 0.314976 Ge\n0.581998 0.469811 0.848172 S\n0.026584 0.232392 0.730751 S\n0.985979 0.744275 0.716297 S\n0.420476 0.919193 0.573663 S\n0.579525 0.419192 0.426338 S\n0.014022 0.244275 0.283703 S\n0.973416 0.732392 0.269250 S\n0.418003 0.969811 0.151828 S\n",
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{
"id": "jvasp-57148",
"created_at": "2022-09-04T14:37:08.657856Z",
"updated_at": "2022-09-04T14:37:08.657875Z",
"structure_string": "Na1 Zr2 Mn1 F11\n1.0\n5.384131 0.011233 2.043074\n1.021118 5.286427 2.043074\n-0.002537 -0.002099 7.875680\nNa Zr Mn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.502607 0.502607 0.766985 Zr\n0.497393 0.497393 0.233014 Zr\n-0.000000 -0.000000 0.500000 Mn\n0.806431 0.222149 0.692669 F\n0.777851 0.193569 0.307330 F\n0.193569 0.777851 0.307330 F\n0.222149 0.806431 0.692669 F\n0.500000 0.500000 0.499999 F\n0.329784 0.670216 -0.000001 F\n0.670216 0.329784 -0.000001 F\n0.252687 0.252687 0.347720 F\n0.747313 0.747313 0.652279 F\n0.265117 0.265117 0.892815 F\n0.734883 0.734883 0.107184 F\n",
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{
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"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
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},
{
"id": "jvasp-49597",
"created_at": "2022-09-04T14:37:27.754009Z",
"updated_at": "2022-09-04T14:37:27.754036Z",
"structure_string": "Mn2 Zn4 Sb2 O12\n1.0\n0.000000 5.276793 -0.019788\n7.657598 0.000000 0.000000\n0.000000 -0.337399 -5.302263\nMn Zn Sb O\n2 4 2 12\ndirect\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.552933 0.250000 0.519220 Zn\n0.447066 0.750000 0.480780 Zn\n0.014523 0.250000 0.038474 Zn\n0.985477 0.750000 0.961526 Zn\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.319334 0.436007 0.668462 O\n0.921802 0.250000 0.399354 O\n0.680665 0.936008 0.331537 O\n0.588284 0.750000 0.870393 O\n0.810740 0.070691 0.838643 O\n0.189260 0.929309 0.161357 O\n0.810740 0.429309 0.838643 O\n0.319334 0.063993 0.668462 O\n0.411715 0.250000 0.129606 O\n0.680665 0.563993 0.331537 O\n0.189260 0.570691 0.161357 O\n0.078197 0.750000 0.600646 O\n",
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"formula_full": "Mn2 Zn4 Sb2 O12",
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},
{
"id": "jvasp-29573",
"created_at": "2022-09-04T14:37:32.469925Z",
"updated_at": "2022-09-04T14:37:32.469951Z",
"structure_string": "Tl4 Cu4 P4 Se12\n1.0\n7.661949 -0.013176 0.000000\n-0.045342 8.651862 0.000000\n0.000000 0.000000 9.247349\nTl Cu P Se\n4 4 4 12\ndirect\n0.457105 0.745574 0.026223 Tl\n0.542895 0.254425 0.973777 Tl\n0.957105 0.245574 0.473777 Tl\n0.042895 0.754425 0.526223 Tl\n0.819004 0.731383 0.834432 Cu\n0.319004 0.231383 0.665569 Cu\n0.680996 0.768616 0.334432 Cu\n0.180996 0.268617 0.165568 Cu\n0.497981 0.569693 0.604077 P\n0.502019 0.430306 0.395923 P\n0.997981 0.069693 0.895923 P\n0.002019 0.930306 0.104077 P\n0.262174 0.492084 0.730118 Se\n0.762174 0.992084 0.769882 Se\n0.983115 0.311622 0.971283 Se\n0.516885 0.188378 0.471283 Se\n0.258329 0.502253 0.278399 Se\n0.241673 0.997746 0.778399 Se\n0.016885 0.688378 0.028717 Se\n0.237826 0.007916 0.230118 Se\n0.737826 0.507915 0.269882 Se\n0.741672 0.497746 0.721601 Se\n0.758329 0.002253 0.221601 Se\n0.483115 0.811622 0.528717 Se\n",
"nsites": 24,
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"spacegroup": 14
}
]
}