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{
"id": "jvasp-57502",
"created_at": "2022-09-04T14:36:48.727265Z",
"updated_at": "2022-09-04T14:36:48.727285Z",
"structure_string": "Zn2 C4 O8\n1.0\n0.000000 5.404614 -0.035000\n5.070325 0.000000 0.000000\n0.000000 -3.098611 -5.329522\nZn C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.457024 0.121357 0.912677 C\n0.542976 0.621357 0.587322 C\n0.457024 0.378644 0.412677 C\n0.542976 0.878644 0.087322 C\n0.644187 0.282523 0.370012 O\n0.355812 0.782524 0.129988 O\n0.795540 0.791570 0.175074 O\n0.355812 0.717478 0.629988 O\n0.795540 0.708431 0.675074 O\n0.204459 0.291570 0.324926 O\n0.644187 0.217477 0.870012 O\n0.204459 0.208431 0.824926 O\n",
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{
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"structure_string": "Co5 Cu1 O8\n1.0\n-4.083996 4.083996 -0.036217\n4.083996 -0.036217 4.083996\n4.047779 4.047779 0.000000\nCo Cu O\n5 1 8\ndirect\n0.625000 0.250000 0.125000 Co\n0.001673 0.996657 0.001673 Co\n0.625000 0.250000 0.625000 Co\n0.248327 0.503344 0.248327 Co\n0.125000 0.750001 0.625000 Co\n0.625000 0.750000 0.625000 Cu\n0.844748 0.245793 0.377103 O\n0.386102 0.227797 0.386102 O\n0.863899 0.272202 0.863899 O\n0.872897 0.721851 0.405252 O\n0.405252 0.254207 0.872897 O\n0.872897 0.721851 0.872897 O\n0.377103 0.778149 0.377103 O\n0.377103 0.778149 0.844748 O\n",
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{
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"updated_at": "2022-09-04T14:37:04.205962Z",
"structure_string": "K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n",
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"volume": 226.08122698285777,
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{
"id": "jvasp-10813",
"created_at": "2022-09-04T14:36:42.054025Z",
"updated_at": "2022-09-04T14:36:42.054035Z",
"structure_string": "Ca2 V4 S8\n1.0\n6.211219 -0.000000 -3.260969\n-1.712050 5.970606 -3.260969\n0.066538 0.088299 7.672524\nCa V S\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.786118 0.797514 0.572235 S\n0.725280 0.213883 0.927765 S\n0.202487 0.213883 0.927765 S\n0.213883 0.202487 0.427765 S\n0.213883 0.725280 0.427765 S\n0.274721 0.786118 0.072235 S\n0.786118 0.274721 0.572234 S\n0.797513 0.786118 0.072235 S\n",
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{
"id": "jvasp-29550",
"created_at": "2022-09-04T14:36:40.900640Z",
"updated_at": "2022-09-04T14:36:40.900666Z",
"structure_string": "C6 N8\n1.0\n4.783064 -0.000000 -0.000000\n-2.391532 4.142255 0.000000\n0.000000 0.000000 6.246551\nC N\n6 8\ndirect\n0.490170 0.980340 0.500000 C\n0.490170 0.509829 0.500000 C\n0.824194 0.175805 0.000000 C\n0.824194 0.648390 0.000000 C\n0.019658 0.509829 0.500000 C\n0.351608 0.175805 0.000000 C\n0.504153 0.495846 0.000000 N\n0.170897 0.341794 0.500000 N\n0.170897 0.829102 0.500000 N\n0.000000 0.000000 0.000000 N\n0.666666 0.333333 0.500000 N\n0.991693 0.495846 0.000000 N\n0.658205 0.829102 0.500000 N\n0.504153 0.008306 0.000000 N\n",
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"elements": [
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"density": 2.4703674787999805,
"density_atomic": 0.11312138732898891,
"volume": 123.76085840676662,
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"formula_full": "C6 N8",
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},
{
"id": "jvasp-13351",
"created_at": "2022-09-04T14:36:56.598901Z",
"updated_at": "2022-09-04T14:36:56.598924Z",
"structure_string": "Sr2 Nd4 S8\n1.0\n7.514707 0.002818 -0.004881\n-2.502245 7.085872 0.004881\n-2.510215 -3.541527 6.134106\nSr Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.627474 0.377474 Nd\n0.622526 0.372526 0.250000 Nd\n0.750001 0.872526 0.122526 Nd\n0.877475 0.127474 0.750001 Nd\n0.990722 0.847265 0.491657 S\n0.509279 0.000935 0.856544 S\n0.143457 0.152735 0.144391 S\n0.356544 0.500935 0.009279 S\n0.644392 0.652735 0.643457 S\n0.508344 0.999065 0.355609 S\n0.855610 0.499065 0.008343 S\n0.991658 0.347265 0.490722 S\n",
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{
"id": "jvasp-56624",
"created_at": "2022-09-04T14:37:03.049973Z",
"updated_at": "2022-09-04T14:37:03.049987Z",
"structure_string": "Rb2 Li2 Mo2 O8\n1.0\n5.416465 0.012991 -1.448061\n-2.900973 4.794352 -0.183549\n0.073394 -0.032203 9.855301\nRb Li Mo O\n2 2 2 8\ndirect\n0.973819 0.463330 0.498301 Rb\n0.034970 0.024483 0.998301 Rb\n0.740839 0.364515 0.127924 Li\n0.763409 0.887086 0.627924 Li\n0.501526 0.251877 0.751931 Mo\n0.500055 0.750406 0.251931 Mo\n0.134029 0.492887 0.226483 O\n0.630947 0.215482 0.929396 O\n0.525437 0.071859 0.221887 O\n0.150028 0.196451 0.721886 O\n0.713914 0.798449 0.429396 O\n0.492656 0.004497 0.629079 O\n0.624582 0.636422 0.129079 O\n0.733596 0.592455 0.726484 O\n",
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{
"id": "jvasp-13303",
"created_at": "2022-09-04T14:37:04.185513Z",
"updated_at": "2022-09-04T14:37:04.185535Z",
"structure_string": "Fe4 Ni2 O8\n1.0\n5.031116 -0.056614 2.903440\n1.649982 4.666854 2.857853\n-0.001106 -0.056614 5.808794\nFe Ni O\n4 2 8\ndirect\n0.993782 0.006219 0.993781 Fe\n0.256217 0.243783 0.256217 Fe\n0.625000 0.125001 0.624999 Fe\n0.624999 0.625001 0.624999 Fe\n0.124999 0.625000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.392319 0.368849 0.392319 O\n0.393820 0.379065 0.848049 O\n0.392319 0.846512 0.392319 O\n0.848050 0.379065 0.393820 O\n0.401949 0.870936 0.856179 O\n0.857680 0.403489 0.857680 O\n0.856179 0.870936 0.401949 O\n0.857680 0.881152 0.857680 O\n",
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{
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"created_at": "2022-09-04T14:36:55.158638Z",
"updated_at": "2022-09-04T14:36:55.158660Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n-2.833116 4.628459 0.000000\n2.833116 0.000000 5.567487\n2.833116 4.628459 0.000000\nLi Fe P O\n2 2 2 8\ndirect\n0.436844 0.250000 0.436844 Li\n0.186844 0.750000 0.186844 Li\n0.808166 0.250000 0.808166 Fe\n0.558166 0.750000 0.558166 Fe\n0.129527 0.250000 0.129527 P\n0.879527 0.750000 0.879528 P\n0.798754 0.090685 0.245573 O\n0.322270 0.103926 0.133866 O\n0.737793 0.603926 0.218344 O\n0.836259 0.590686 0.708070 O\n0.133866 0.396074 0.322270 O\n0.245573 0.409315 0.798755 O\n0.708069 0.909315 0.836259 O\n0.218343 0.896074 0.737794 O\n",
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{
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"updated_at": "2022-09-04T14:37:04.032514Z",
"structure_string": "Hg4 Mo2 O8\n1.0\n4.798086 0.029777 -1.283275\n-2.550540 6.589020 -2.078526\n0.015632 0.054746 7.364609\nHg Mo O\n4 2 8\ndirect\n0.516899 0.249167 0.467944 Hg\n0.983103 0.532058 0.750834 Hg\n0.483102 0.750834 0.532057 Hg\n0.016898 0.467944 0.249166 Hg\n0.250000 0.100179 0.899822 Mo\n0.750001 0.899822 0.100179 Mo\n0.704757 0.949541 0.335162 O\n0.295244 0.050460 0.664839 O\n0.853242 0.915900 0.818367 O\n0.353242 0.818367 0.915899 O\n0.204757 0.335162 0.949541 O\n0.646759 0.181634 0.084102 O\n0.146759 0.084101 0.181633 O\n0.795244 0.664839 0.050460 O\n",
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{
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"created_at": "2022-09-04T14:36:57.004751Z",
"updated_at": "2022-09-04T14:36:57.004778Z",
"structure_string": "In4 Ni2 S8\n1.0\n6.369302 -0.026695 3.825036\n2.097933 6.013934 3.825036\n-0.000000 -0.000000 7.650070\nIn Ni S\n4 2 8\ndirect\n0.138086 0.138086 0.111914 In\n0.500000 0.500000 0.000001 In\n0.500000 0.500000 0.500001 In\n0.861914 0.861914 0.888087 In\n-0.000000 0.500000 0.500001 Ni\n0.500000 0.000000 0.500000 Ni\n0.250318 0.250318 0.294981 S\n0.250318 0.250318 0.704385 S\n0.237459 0.719503 0.271520 S\n0.719503 0.237459 0.271520 S\n0.280496 0.762541 0.728482 S\n0.762540 0.280497 0.728481 S\n0.749682 0.749682 0.295616 S\n0.749682 0.749682 0.705021 S\n",
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{
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"created_at": "2022-09-04T14:36:56.539069Z",
"updated_at": "2022-09-04T14:36:56.539087Z",
"structure_string": "Pr5 Cu1 Se8\n1.0\n7.738123 0.111647 -0.000000\n-2.474113 7.332787 0.000000\n-2.632005 -3.722217 6.253691\nPr Cu Se\n5 1 8\ndirect\n0.114471 0.743628 0.873016 Pr\n0.256372 0.629388 0.370842 Pr\n0.370612 0.241455 0.626984 Pr\n0.625000 0.375000 0.250000 Pr\n0.758546 0.885530 0.129158 Pr\n0.875000 0.125000 0.750000 Cu\n0.480249 0.990084 0.852506 Se\n0.525603 0.017274 0.377949 Se\n0.139325 0.147653 0.122051 Se\n0.372259 0.519752 0.009835 Se\n0.637577 0.627742 0.647493 Se\n0.982726 0.860676 0.508328 Se\n0.852347 0.474398 0.991671 Se\n0.009917 0.362423 0.490165 Se\n",
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}
]
}