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{
"id": "jvasp-9792",
"created_at": "2022-09-04T14:37:15.507391Z",
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"structure_string": "Ca2 Ti2 Si2 O10\n1.0\n5.324764 0.003569 -1.330239\n-1.900160 4.974185 -1.330239\n-0.000728 -0.001058 7.082264\nCa Ti Si O\n2 2 2 10\ndirect\n0.170308 0.829690 0.749999 Ca\n0.829690 0.170309 0.249999 Ca\n0.499999 0.499999 0.499999 Ti\n0.500000 0.500000 -0.000000 Ti\n0.181120 0.818879 0.249999 Si\n0.818879 0.181120 0.749999 Si\n0.184971 0.609541 0.382913 O\n0.390458 0.815028 0.117086 O\n0.815027 0.390458 0.617086 O\n0.609541 0.184971 0.882913 O\n0.879585 0.750559 0.087968 O\n0.249440 0.120414 0.412030 O\n0.429227 0.570772 0.749999 O\n0.570772 0.429227 0.249999 O\n0.750559 0.879585 0.587968 O\n0.120414 0.249440 0.912030 O\n",
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{
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"structure_string": "Tl2 Pd6 O8\n1.0\n5.935938 -0.000000 3.427115\n1.978646 5.596456 3.427115\n0.000000 -0.000000 6.854231\nTl Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.857624 0.857624 0.857624 O\n0.142377 0.142377 0.572870 O\n0.142377 0.572871 0.142377 O\n0.572871 0.142377 0.142377 O\n0.857624 0.427130 0.857624 O\n0.427130 0.857624 0.857624 O\n0.142377 0.142377 0.142377 O\n0.857624 0.857624 0.427130 O\n",
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{
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"updated_at": "2022-09-04T14:37:14.973430Z",
"structure_string": "N2 Cl2 O12\n1.0\n5.437975 -0.044540 1.742357\n0.931225 5.357832 1.742357\n0.067808 0.056566 7.169556\nN Cl O\n2 2 12\ndirect\n0.834724 0.165276 0.750001 N\n0.165275 0.834724 0.250001 N\n0.679485 0.320514 0.250001 Cl\n0.320514 0.679486 0.750001 Cl\n0.301702 0.971837 0.202795 O\n0.028162 0.698297 0.297207 O\n0.250270 0.856599 0.875660 O\n0.143401 0.749729 0.624342 O\n0.749728 0.143401 0.124342 O\n0.856598 0.250271 0.375660 O\n0.572231 0.694744 0.621110 O\n0.305255 0.427769 0.878892 O\n0.427768 0.305256 0.378892 O\n0.694743 0.572231 0.121110 O\n0.971837 0.301703 0.702795 O\n0.698297 0.028163 0.797207 O\n",
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{
"id": "jvasp-34452",
"created_at": "2022-09-04T14:37:09.952738Z",
"updated_at": "2022-09-04T14:37:09.952760Z",
"structure_string": "K2 Te2 H2 O2 F8\n1.0\n0.000000 4.963897 -0.060581\n6.666590 0.000000 0.000000\n0.000000 -2.116143 -7.285734\nK Te H O F\n2 2 2 2 8\ndirect\n0.656722 0.923352 0.299030 K\n0.343279 0.423352 0.700970 K\n0.945502 0.867467 0.832417 Te\n0.054499 0.367467 0.167583 Te\n0.744523 0.401535 0.372482 H\n0.255478 0.901535 0.627517 H\n0.930128 0.335497 0.386067 O\n0.069873 0.835497 0.613932 O\n0.898158 0.648649 0.161837 F\n0.666482 0.268217 0.038407 F\n0.421238 0.468540 0.361282 F\n0.578763 0.968540 0.638717 F\n0.844755 0.571743 0.775839 F\n0.101843 0.148649 0.838162 F\n0.155246 0.071743 0.224161 F\n0.333519 0.768217 0.961593 F\n",
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{
"id": "jvasp-10179",
"created_at": "2022-09-04T14:37:15.457808Z",
"updated_at": "2022-09-04T14:37:15.457827Z",
"structure_string": "Mg4 Ge4 N8\n1.0\n5.224429 0.000000 0.000000\n0.000000 5.550308 0.000000\n0.000000 0.000000 6.649657\nMg Ge N\n4 4 8\ndirect\n0.000646 0.584811 0.876558 Mg\n0.500646 0.915189 0.376558 Mg\n0.500646 0.415189 0.123442 Mg\n0.000646 0.084811 0.623443 Mg\n0.007417 0.074106 0.125784 Ge\n0.507417 0.925894 0.874217 Ge\n0.507417 0.425894 0.625784 Ge\n0.007417 0.574106 0.374216 Ge\n0.403727 0.599396 0.857723 N\n0.903727 0.400605 0.142278 N\n0.903727 0.900605 0.357722 N\n0.403727 0.099395 0.642278 N\n0.368211 0.561585 0.391921 N\n0.368211 0.061584 0.108080 N\n0.868211 0.938416 0.891921 N\n0.868211 0.438416 0.608080 N\n",
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{
"id": "jvasp-9869",
"created_at": "2022-09-04T14:37:15.423466Z",
"updated_at": "2022-09-04T14:37:15.423494Z",
"structure_string": "Ca4 Ni4 O8\n1.0\n2.981522 0.235404 -0.037595\n0.835334 8.108951 -0.343758\n0.061775 0.718619 8.644962\nCa Ni O\n4 4 8\ndirect\n0.140722 0.208527 0.978450 Ca\n0.835233 0.819687 0.041635 Ca\n0.688411 0.114770 0.343634 Ca\n0.287455 0.913425 0.676453 Ca\n0.970111 0.549697 0.830857 Ni\n0.626045 0.240245 0.666826 Ni\n0.349774 0.787930 0.353256 Ni\n0.005975 0.478517 0.189212 Ni\n0.430632 0.630592 0.194982 O\n0.820848 0.846663 0.485079 O\n0.155016 0.181523 0.535012 O\n0.545422 0.397623 0.825082 O\n0.396363 0.698400 0.856605 O\n0.721990 0.045361 0.841071 O\n0.579691 0.329812 0.163478 O\n0.253918 0.982840 0.179027 O\n",
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{
"id": "jvasp-56220",
"created_at": "2022-09-04T14:37:30.495502Z",
"updated_at": "2022-09-04T14:37:30.495526Z",
"structure_string": "Al2 V8 C6\n1.0\n1.464623 -2.536801 -0.000000\n1.464623 2.536801 -0.000000\n0.000000 -0.000000 22.791560\nAl V C\n2 8 6\ndirect\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.000000 0.000000 0.654755 V\n0.000000 0.000000 0.345245 V\n0.000000 0.000000 0.845245 V\n0.333332 0.666666 0.554335 V\n0.666666 0.333332 0.054335 V\n0.000000 0.000000 0.154755 V\n0.666666 0.333332 0.445665 V\n0.333332 0.666666 0.945665 V\n0.333332 0.666666 0.107954 C\n0.666666 0.333332 0.607954 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.392046 C\n0.666666 0.333332 0.892046 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:37:32.454314Z",
"updated_at": "2022-09-04T14:37:32.454339Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.173911 -0.343345 0.931562\n0.601245 9.200028 1.405814\n0.618574 0.892043 8.799118\nMg Sn O\n4 4 8\ndirect\n0.401679 0.006386 0.350956 Mg\n0.594329 0.973531 0.677258 Mg\n0.203420 0.778654 0.122844 Mg\n0.792632 0.201271 0.905355 Mg\n0.350425 0.291236 0.579670 Sn\n0.026293 0.314707 0.205305 Sn\n0.969726 0.665203 0.822892 Sn\n0.645635 0.688684 0.448530 Sn\n0.211851 0.843635 0.587913 O\n0.383896 0.305383 0.810874 O\n0.612156 0.674541 0.217327 O\n0.784164 0.136279 0.440291 O\n0.026003 0.080828 0.741464 O\n0.578055 0.186302 0.144207 O\n0.970028 0.899092 0.286742 O\n0.417964 0.793606 0.883994 O\n",
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{
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"created_at": "2022-09-04T14:37:16.128395Z",
"updated_at": "2022-09-04T14:37:16.128415Z",
"structure_string": "Rb4 Ta2 Cu2 S8\n1.0\n5.455859 -0.000000 1.280368\n2.727930 6.717892 0.640184\n0.025395 -0.000000 12.156127\nRb Ta Cu S\n4 2 2 8\ndirect\n0.803380 0.750000 0.393241 Rb\n0.446621 0.750000 0.106758 Rb\n0.196621 0.250000 0.606759 Rb\n0.553380 0.250000 0.893242 Rb\n0.625001 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125001 0.750000 0.750000 Cu\n0.875000 0.250000 0.250000 Cu\n0.090840 0.447256 0.139738 S\n0.177834 0.052744 0.360262 S\n0.822167 0.947255 0.639738 S\n0.909161 0.552744 0.860262 S\n0.230579 0.947255 0.860262 S\n0.538097 0.552744 0.639738 S\n0.461905 0.447256 0.360262 S\n0.769422 0.052744 0.139738 S\n",
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{
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"created_at": "2022-09-04T14:37:10.290241Z",
"updated_at": "2022-09-04T14:37:10.290259Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.855453 0.255493 0.097837\n1.247725 4.381752 0.366285\n-0.742041 0.123969 8.452996\nZn H C O\n1 6 5 4\ndirect\n0.765573 0.857513 0.760621 Zn\n0.828257 0.503014 0.379861 H\n0.284151 0.481730 0.437623 H\n0.085573 0.037819 0.219002 H\n0.936603 0.601196 0.097543 H\n0.538484 0.023637 0.277788 H\n0.395676 0.565317 0.144436 H\n0.143416 0.117588 0.544875 C\n0.114845 0.340811 0.401191 C\n0.250945 0.182496 0.252612 C\n0.217287 0.427573 0.115581 C\n0.324272 0.310163 0.957484 C\n0.884648 0.189992 0.635611 O\n0.429001 0.869236 0.571602 O\n0.546773 0.030108 0.955800 O\n0.208602 0.494395 0.831181 O\n",
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{
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"created_at": "2022-09-04T14:37:27.872742Z",
"updated_at": "2022-09-04T14:37:27.872762Z",
"structure_string": "Mg4 V4 O8\n1.0\n2.875567 -0.001199 -0.003725\n-1.434097 8.503648 -0.462683\n-1.428981 -1.445485 8.030159\nMg V O\n4 4 8\ndirect\n0.589198 0.960628 0.218074 Mg\n0.434836 0.059452 0.810126 Mg\n0.269348 0.328518 0.210052 Mg\n0.754709 0.691575 0.818162 Mg\n0.161522 0.793730 0.529277 V\n0.388114 0.645428 0.130958 V\n0.635941 0.374648 0.897243 V\n0.862527 0.226351 0.498922 V\n0.445729 0.226556 0.664984 O\n0.207005 0.543683 0.870506 O\n0.817044 0.476403 0.157693 O\n0.578318 0.793521 0.363211 O\n0.803178 0.888574 0.717711 O\n0.941435 0.810994 0.072172 O\n0.220863 0.131507 0.310491 O\n0.082621 0.209090 0.956032 O\n",
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{
"id": "jvasp-21958",
"created_at": "2022-09-04T14:37:32.465394Z",
"updated_at": "2022-09-04T14:37:32.465417Z",
"structure_string": "Li4 Ca4 Ge8\n1.0\n3.934454 0.000000 0.000000\n0.000000 8.001940 0.000000\n0.000000 0.000000 10.679242\nLi Ca Ge\n4 4 8\ndirect\n0.250000 0.491631 0.110780 Li\n0.250000 0.991631 0.389219 Li\n0.749999 0.508369 0.889219 Li\n0.749999 0.008369 0.610780 Li\n0.749999 0.367605 0.364631 Ca\n0.250000 0.132395 0.864631 Ca\n0.250000 0.632395 0.635368 Ca\n0.749999 0.867605 0.135369 Ca\n0.250000 0.726474 0.937962 Ge\n0.250000 0.659493 0.319338 Ge\n0.749999 0.840507 0.819337 Ge\n0.250000 0.159493 0.180662 Ge\n0.749999 0.273526 0.062038 Ge\n0.250000 0.226474 0.562038 Ge\n0.749999 0.773526 0.437962 Ge\n0.749999 0.340507 0.680662 Ge\n",
"nsites": 16,
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}
]
}