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{
"id": "jvasp-100633",
"created_at": "2022-09-04T14:37:07.706701Z",
"updated_at": "2022-09-04T14:37:07.706721Z",
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{
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{
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"structure_string": "Ca4 Zn4 Cu2 P6\n1.0\n2.026239 -3.509547 0.000000\n2.026239 3.509547 -0.000000\n0.000000 0.000000 21.427027\nCa Zn Cu P\n4 4 2 6\ndirect\n0.000000 0.000000 0.658923 Ca\n0.000000 0.000000 0.341077 Ca\n0.000000 0.000000 0.158923 Ca\n0.000000 0.000000 0.841077 Ca\n0.333333 0.666667 0.956847 Zn\n0.666667 0.333333 0.456847 Zn\n0.666667 0.333333 0.043153 Zn\n0.333333 0.666667 0.543153 Zn\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.576332 P\n0.333333 0.666667 0.423669 P\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.923669 P\n0.333333 0.666667 0.076331 P\n0.666667 0.333333 0.250000 P\n",
"nsites": 16,
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{
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"updated_at": "2022-09-04T14:38:16.820419Z",
"structure_string": "Ag2 Bi2 Se1 S3\n1.0\n5.255809 0.005153 -4.682387\n-1.004397 5.062607 -4.786386\n-0.007033 -0.005153 7.039050\nAg Bi Se S\n2 2 1 3\ndirect\n0.993459 0.993460 -0.000001 Ag\n0.252351 0.752351 0.500000 Ag\n0.505022 0.505023 -0.000001 Bi\n0.752772 0.252771 0.500000 Bi\n0.245910 0.245910 -0.000000 Se\n0.503545 0.003544 0.500000 S\n0.749110 0.749111 -0.000001 S\n0.997831 0.497831 0.499999 S\n",
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"density_atomic": 0.04277806383083651,
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{
"id": "jvasp-92252",
"created_at": "2022-09-04T14:35:59.678227Z",
"updated_at": "2022-09-04T14:35:59.678256Z",
"structure_string": "Li3 Mn1 O2 F2\n1.0\n-0.000003 1.988879 1.988880\n-4.397091 0.029130 -4.006885\n-4.397091 -4.006883 0.029130\nLi Mn O F\n3 1 2 2\ndirect\n0.000132 0.500598 0.000537 Li\n0.000149 0.500564 0.500564 Li\n0.000131 0.000537 0.500598 Li\n0.000274 0.000639 0.000644 Mn\n0.500338 0.772490 0.228847 O\n0.500337 0.228848 0.772489 O\n0.525904 0.263463 0.263463 F\n0.474674 0.737846 0.737846 F\n",
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{
"id": "jvasp-85938",
"created_at": "2022-09-04T14:35:58.625296Z",
"updated_at": "2022-09-04T14:35:58.625313Z",
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"nsites": 16,
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"elements": [
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"chemical_system": "Cl-N-S-V",
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"density_atomic": 0.05450021066853182,
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"formula_full": "V2 S4 N6 Cl4",
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{
"id": "jvasp-98071",
"created_at": "2022-09-04T14:35:54.048326Z",
"updated_at": "2022-09-04T14:35:54.048352Z",
"structure_string": "Zn16 Te8 Br16 O24\n1.0\n7.718891 -0.000000 0.000000\n-0.000000 10.596583 0.000000\n0.000000 0.000000 16.069833\nZn Te Br O\n16 8 16 24\ndirect\n0.401822 0.236824 0.977266 Zn\n0.098178 0.736824 0.022734 Zn\n0.160411 0.491920 0.608867 Zn\n0.901822 0.236824 0.522734 Zn\n0.098178 0.763175 0.477266 Zn\n0.339589 0.508080 0.108867 Zn\n0.160411 0.008080 0.891133 Zn\n0.839589 0.991919 0.108867 Zn\n0.901822 0.263175 0.977266 Zn\n0.839589 0.508080 0.391133 Zn\n0.401822 0.263175 0.522734 Zn\n0.598178 0.763175 0.022734 Zn\n0.660411 0.008080 0.608867 Zn\n0.660411 0.491920 0.891133 Zn\n0.339589 0.991919 0.391133 Zn\n0.598178 0.736824 0.477266 Zn\n0.710018 0.027934 0.904784 Te\n0.210018 0.027934 0.595216 Te\n0.789982 0.527934 0.095216 Te\n0.289982 0.972065 0.095216 Te\n0.710018 0.472066 0.595216 Te\n0.289982 0.527934 0.404784 Te\n0.789982 0.972065 0.404784 Te\n0.210018 0.472066 0.904784 Te\n0.650441 0.914245 0.214307 Br\n0.557832 0.790798 0.630867 Br\n0.057832 0.790798 0.869133 Br\n0.849559 0.085755 0.714307 Br\n0.442168 0.209201 0.369133 Br\n0.849559 0.414245 0.785693 Br\n0.349559 0.085755 0.785693 Br\n0.942168 0.209201 0.130867 Br\n0.650441 0.585754 0.285693 Br\n0.057832 0.709201 0.630867 Br\n0.442168 0.290798 0.130867 Br\n0.150441 0.914245 0.285693 Br\n0.557832 0.709201 0.869133 Br\n0.150441 0.585754 0.214307 Br\n0.942168 0.290798 0.369133 Br\n0.349559 0.414245 0.714307 Br\n0.940854 0.411546 0.577739 O\n0.559145 0.588453 0.077739 O\n0.059145 0.911546 0.077739 O\n0.808660 0.057576 0.511476 O\n0.853544 0.690213 0.054286 O\n0.059145 0.588453 0.422261 O\n0.146455 0.309787 0.945714 O\n0.308660 0.057576 0.988523 O\n0.808660 0.442424 0.988523 O\n0.308660 0.442424 0.511476 O\n0.646455 0.309787 0.554286 O\n0.559145 0.911546 0.422261 O\n0.146455 0.190213 0.554286 O\n0.440855 0.411546 0.922261 O\n0.353544 0.809786 0.054286 O\n0.191340 0.557575 0.011477 O\n0.440855 0.088454 0.577739 O\n0.191340 0.942424 0.488523 O\n0.691340 0.557575 0.488523 O\n0.646455 0.190213 0.945714 O\n0.353544 0.690213 0.445714 O\n0.853544 0.809786 0.445714 O\n0.691340 0.942424 0.011477 O\n0.940854 0.088454 0.922261 O\n",
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{
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"created_at": "2022-09-04T14:35:45.438958Z",
"updated_at": "2022-09-04T14:35:45.438983Z",
"structure_string": "Li2 Fe4 O4 F6\n1.0\n-3.686487 -0.002032 0.001952\n1.840742 4.826377 0.098987\n-0.006012 -0.334184 -10.526995\nLi Fe O F\n2 4 4 6\ndirect\n0.858581 0.722256 0.952522 Li\n0.138066 0.281205 0.047645 Li\n0.863290 0.731697 0.534341 Fe\n0.828516 0.662119 0.242051 Fe\n0.168134 0.341363 0.758118 Fe\n0.133350 0.271801 0.465830 Fe\n0.967319 0.939730 0.374129 O\n0.311758 0.628633 0.561290 O\n0.684882 0.374856 0.438884 O\n0.029325 0.063760 0.626041 O\n0.962631 0.930362 0.117511 F\n0.299174 0.603439 0.913222 F\n0.735805 0.476694 0.737769 F\n0.260843 0.526785 0.262406 F\n0.697468 0.400020 0.086955 F\n0.034023 0.073104 0.882651 F\n",
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{
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"structure_string": "Y2 U1 S3 O2\n1.0\n3.733475 -0.013532 -10.164519\n-0.130781 3.731208 -10.164519\n0.013114 0.013532 10.828486\nY U S O\n2 1 3 2\ndirect\n0.498506 0.498507 0.000000 Y\n0.812716 0.812717 0.000000 Y\n0.190454 0.190455 0.000000 U\n0.628884 0.628885 0.000000 S\n0.369833 0.369834 0.000000 S\n0.003502 0.003502 0.000000 S\n0.748050 0.248052 0.499999 O\n0.248051 0.748052 0.500000 O\n",
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{
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"updated_at": "2022-09-04T14:38:33.705179Z",
"structure_string": "Co4 Te2 Cl4 O6\n1.0\n6.680461 0.000000 0.000000\n-0.000000 4.902350 1.281448\n-0.000000 0.046885 8.008746\nCo Te Cl O\n4 2 4 6\ndirect\n0.250000 0.747626 0.803016 Co\n0.750000 0.252373 0.196984 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.602366 0.735350 Te\n0.250000 0.397632 0.264651 Te\n0.250000 0.840123 0.499568 Cl\n0.250000 0.266627 0.793854 Cl\n0.750000 0.733372 0.206147 Cl\n0.750000 0.159876 0.500433 Cl\n0.038574 0.235445 0.163220 O\n0.538574 0.764553 0.836781 O\n0.961426 0.764553 0.836781 O\n0.750000 0.256739 0.922147 O\n0.250000 0.743260 0.077854 O\n0.461426 0.235445 0.163220 O\n",
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