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{
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{
"id": "jvasp-104713",
"created_at": "2022-09-04T14:37:00.309279Z",
"updated_at": "2022-09-04T14:37:00.309305Z",
"structure_string": "Na1 Ti1 V1 S4\n1.0\n7.095234 -0.036991 0.969792\n6.279372 3.303513 0.969792\n-0.015496 -0.003785 5.898650\nNa Ti V S\n1 1 1 4\ndirect\n0.243908 0.243911 0.898631 Na\n0.493826 0.493827 0.492290 Ti\n0.991787 0.991787 0.016526 V\n0.892491 0.892493 0.704659 S\n0.387613 0.387614 0.205187 S\n0.592456 0.592458 0.810454 S\n0.098910 0.098911 0.305250 S\n",
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{
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"updated_at": "2022-09-04T14:37:00.473233Z",
"structure_string": "Ti2 Co3 Te3 O16\n1.0\n6.125802 0.003733 0.012116\n-3.059668 5.299539 -0.000005\n0.005402 0.003046 9.050168\nTi Co Te O\n2 3 3 16\ndirect\n0.365315 0.682664 0.509898 Ti\n0.710941 0.355481 0.971924 Ti\n0.653735 0.826876 0.204927 Co\n0.840462 0.667160 0.704021 Co\n0.840462 0.173320 0.704018 Co\n0.155967 0.826142 0.214784 Te\n0.155967 0.329843 0.214780 Te\n0.341519 0.170769 0.713369 Te\n0.832944 0.664661 0.103317 O\n0.654403 0.327209 0.597620 O\n0.518980 0.049790 0.846250 O\n0.518978 0.469206 0.846251 O\n0.663436 0.831723 0.598911 O\n0.320358 0.160189 0.102766 O\n0.458511 0.515136 0.335979 O\n-0.007534 -0.003753 0.325026 O\n0.189332 0.348092 0.598803 O\n0.014672 0.007348 0.809183 O\n0.961413 0.480717 0.840786 O\n0.306899 0.653456 0.091930 O\n0.022443 0.511228 0.343090 O\n0.189330 0.841256 0.598803 O\n0.458513 0.943390 0.335981 O\n0.832949 0.168301 0.103314 O\n",
"nsites": 24,
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"density_atomic": 0.08165851194940064,
"volume": 293.90689870605894,
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"formula_full": "Ti2 Co3 Te3 O16",
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"formula_anonymous": "A2B3C3D16",
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{
"id": "jvasp-103764",
"created_at": "2022-09-04T14:37:01.020292Z",
"updated_at": "2022-09-04T14:37:01.020319Z",
"structure_string": "H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n",
"nsites": 12,
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"elements": [
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"density": 1.709353727037275,
"density_atomic": 0.13414194680152533,
"volume": 89.45747609996329,
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"formula_full": "H6 C4 F2",
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"spacegroup": 8
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{
"id": "jvasp-29847",
"created_at": "2022-09-04T14:37:02.153356Z",
"updated_at": "2022-09-04T14:37:02.153367Z",
"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
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{
"id": "jvasp-48548",
"created_at": "2022-09-04T14:37:02.696048Z",
"updated_at": "2022-09-04T14:37:02.696070Z",
"structure_string": "Li3 V1 O3 F2\n1.0\n-3.551133 0.072439 0.532298\n1.604404 4.840224 -1.377210\n0.946268 -1.172596 -5.119167\nLi V O F\n3 1 3 2\ndirect\n0.168167 0.779900 0.533755 Li\n0.666024 0.442957 0.903449 Li\n0.819317 0.249442 0.405506 Li\n-0.008923 0.009309 -0.030441 V\n0.054927 0.306785 0.805769 O\n0.530669 0.006039 0.054180 O\n0.758297 0.782408 0.718568 O\n0.247439 0.123743 0.380546 F\n0.910344 0.585683 0.234924 F\n",
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"elements": [
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"density_atomic": 0.09913470508943119,
"volume": 90.78556285491483,
"volume_molar": 6.074704872090273,
"formula_full": "Li3 V1 O3 F2",
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"spacegroup": 8
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{
"id": "jvasp-13375",
"created_at": "2022-09-04T14:37:03.405502Z",
"updated_at": "2022-09-04T14:37:03.405529Z",
"structure_string": "Na4 C2 O5\n1.0\n5.007544 -0.173575 0.246357\n2.328910 4.436418 0.246357\n0.733463 0.426178 5.976847\nNa C O\n4 2 5\ndirect\n0.006094 0.006094 0.009605 Na\n0.334578 0.334579 0.729239 Na\n0.668201 0.668201 0.269342 Na\n0.999505 0.999505 0.502115 Na\n0.317440 0.317440 0.245231 C\n0.660553 0.660553 0.762242 C\n0.183863 0.597639 0.285367 O\n0.597638 0.183863 0.285367 O\n0.387127 0.808201 0.715221 O\n0.808200 0.387127 0.715221 O\n0.785792 0.785793 0.853060 O\n",
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"elements": [
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"density": 2.427104753477047,
"density_atomic": 0.08204005558702887,
"volume": 134.0808452808896,
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"formula_full": "Na4 C2 O5",
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"spacegroup": 8
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{
"id": "jvasp-8812",
"created_at": "2022-09-04T14:37:05.663529Z",
"updated_at": "2022-09-04T14:37:05.663560Z",
"structure_string": "K1 N1 O2\n1.0\n4.393646 -0.218195 -0.478745\n1.438394 3.753308 -0.038907\n1.141507 1.075989 4.137650\nK N O\n1 1 2\ndirect\n0.015646 0.964444 0.015646 K\n0.496051 0.558602 0.496051 N\n0.405876 0.404478 0.776427 O\n0.776428 0.404477 0.405876 O\n",
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"formula_full": "K1 N1 O2",
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"spacegroup": 8
},
{
"id": "jvasp-48163",
"created_at": "2022-09-04T14:37:06.710594Z",
"updated_at": "2022-09-04T14:37:06.710620Z",
"structure_string": "Li3 Fe3 Co1 O8\n1.0\n-4.866160 0.000024 -0.021238\n-0.000051 -5.636979 -0.000819\n1.598479 2.818040 4.755136\nLi Fe Co O\n3 3 1 8\ndirect\n0.498618 0.748061 0.996112 Li\n0.998135 0.013993 0.000272 Li\n0.998146 0.486284 0.000286 Li\n0.495285 0.243189 0.498977 Fe\n0.495286 0.755785 0.498976 Fe\n0.013246 0.001816 0.503637 Fe\n0.993230 0.499195 0.498393 Co\n0.765293 0.136463 0.289355 O\n0.765294 0.652876 0.289355 O\n0.256152 0.881648 0.263313 O\n0.257762 0.395883 0.291782 O\n0.728369 0.607182 0.714352 O\n0.751379 0.108541 0.717071 O\n0.236008 0.364619 0.716421 O\n0.236009 0.851813 0.716421 O\n",
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],
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"volume": 130.2328860568554,
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{
"id": "jvasp-101798",
"created_at": "2022-09-04T14:37:06.779302Z",
"updated_at": "2022-09-04T14:37:06.779321Z",
"structure_string": "H16 C20 S4\n1.0\n4.672285 -0.047352 -0.150483\n-1.002892 8.226195 -2.598129\n-0.032376 -0.007258 10.753478\nH C S\n16 20 4\ndirect\n0.620771 0.882831 0.854226 H\n0.160768 0.511884 0.056157 H\n0.660770 0.511882 0.556159 H\n0.910769 0.011883 0.306158 H\n0.966516 0.085577 0.597117 H\n0.466511 0.085581 0.097116 H\n0.716513 0.585579 0.847116 H\n0.216513 0.585579 0.347116 H\n0.410768 0.011882 0.806159 H\n0.845802 0.338458 0.223554 H\n0.095803 0.838456 0.973553 H\n0.595803 0.838456 0.473554 H\n0.370769 0.382832 0.104226 H\n0.870773 0.382830 0.604226 H\n0.120769 0.882832 0.354226 H\n0.345804 0.338454 0.723553 H\n0.465534 0.802193 0.656045 C\n0.965534 0.802194 0.156044 C\n0.715534 0.302193 0.406045 C\n0.215532 0.302193 0.906044 C\n0.838857 0.438267 0.525252 C\n0.088855 0.938268 0.275252 C\n0.338855 0.438268 0.025252 C\n0.851523 0.059513 0.784705 C\n0.588856 0.938267 0.775252 C\n0.351521 0.059514 0.284704 C\n0.002333 0.129127 0.703421 C\n0.101522 0.559513 0.534705 C\n0.209741 0.267405 0.772560 C\n0.709740 0.267407 0.272560 C\n0.959742 0.767407 0.022560 C\n0.459740 0.767406 0.522560 C\n0.502332 0.129129 0.203421 C\n0.752332 0.629128 0.953421 C\n0.252333 0.629128 0.453421 C\n0.601522 0.559514 0.034705 C\n0.471685 0.161725 0.445515 S\n0.221685 0.661725 0.695516 S\n0.721685 0.661727 0.195516 S\n0.971684 0.161727 0.945516 S\n",
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{
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"structure_string": "K1 N1 O2\n1.0\n-4.409933 -0.220390 -0.070079\n-0.402459 -4.398202 -0.073411\n1.125710 1.078095 3.707755\nK N O\n1 1 2\ndirect\n0.008997 0.009050 0.042454 K\n0.489947 0.489879 0.447545 N\n0.399093 0.769919 0.601859 O\n0.769962 0.399154 0.602144 O\n",
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{
"id": "jvasp-8644",
"created_at": "2022-09-04T14:37:07.861537Z",
"updated_at": "2022-09-04T14:37:07.861554Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.823704 -0.002662 0.001970\n-1.409399 2.634696 0.022789\n-0.007486 -0.278027 4.956092\nLi Ni O\n1 1 2\ndirect\n0.663314 0.327645 0.596956 Li\n0.995110 0.989881 0.029435 Ni\n0.350010 0.700280 0.801560 O\n0.658260 0.315699 0.221248 O\n",
"nsites": 4,
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{
"id": "jvasp-42693",
"created_at": "2022-09-04T14:37:07.827817Z",
"updated_at": "2022-09-04T14:37:07.827832Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n-2.954347 0.001407 -0.002180\n-0.003202 -5.817491 0.060211\n1.473629 1.357501 6.046045\nLi Ti V O\n1 1 2 6\ndirect\n0.670368 0.836149 0.340163 Li\n0.351511 0.632131 0.703070 Ti\n0.989775 0.036475 0.979626 V\n0.659764 0.334137 0.319613 V\n0.499917 0.796537 -0.000151 O\n0.827479 0.415887 0.654997 O\n0.152271 0.097373 0.304567 O\n0.838481 0.869280 0.677047 O\n0.179312 0.568405 0.358723 O\n0.497190 0.251601 -0.005525 O\n",
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}
]
}