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{
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{
"id": "jvasp-52380",
"created_at": "2022-09-04T14:37:06.751485Z",
"updated_at": "2022-09-04T14:37:06.751522Z",
"structure_string": "Li6 Bi2 S6\n1.0\n5.433545 3.136901 2.693035\n-5.433383 3.137158 2.693076\n-0.000200 -6.274029 2.692996\nLi Bi S\n6 2 6\ndirect\n0.299821 0.899673 0.527988 Li\n0.399676 0.799819 0.027988 Li\n0.799818 0.027992 0.399673 Li\n0.527991 0.299818 0.899673 Li\n0.899675 0.527990 0.299821 Li\n0.027993 0.399672 0.799823 Li\n0.492531 0.492534 0.492534 Bi\n0.992534 0.992532 0.992535 Bi\n0.073083 0.717238 0.705603 S\n0.217239 0.573085 0.205603 S\n0.205605 0.217239 0.573086 S\n0.717243 0.705605 0.073087 S\n0.573084 0.205604 0.217240 S\n0.705601 0.073084 0.717238 S\n",
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{
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"structure_string": "Zn1 Co2 Ge1\n1.0\n3.519851 0.000000 2.032187\n1.173284 3.318547 2.032187\n0.000000 -0.000000 4.064374\nZn Co Ge\n1 2 1\ndirect\n0.499999 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Co\n0.749999 0.750001 0.750001 Co\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:37:06.762160Z",
"updated_at": "2022-09-04T14:37:06.762185Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.648684 0.000000 -0.000000\n-2.824343 5.868777 -0.579391\n-0.000000 0.398120 9.115456\nNa Zr F\n5 2 13\ndirect\n0.809270 0.618541 0.111832 Na\n0.662589 0.325179 0.578407 Na\n-0.000000 -0.000000 0.500000 Na\n0.337411 0.674821 0.421594 Na\n0.190730 0.381460 0.888169 Na\n0.081607 0.163216 0.219508 Zr\n0.918393 0.836785 0.780493 Zr\n0.835016 0.110921 0.730842 F\n0.164984 0.889079 0.269159 F\n0.638505 0.705270 0.606394 F\n0.361495 0.294730 0.393606 F\n0.933234 0.294730 0.393606 F\n0.406861 0.349536 0.110791 F\n0.057325 0.650464 0.889209 F\n0.593139 0.650464 0.889209 F\n0.942675 0.349536 0.110791 F\n0.000000 0.000000 0.000000 F\n0.724094 0.889079 0.269159 F\n0.275906 0.110921 0.730842 F\n0.066766 0.705270 0.606394 F\n",
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"formula_full": "Na5 Zr2 F13",
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{
"id": "jvasp-8671",
"created_at": "2022-09-04T14:37:06.763369Z",
"updated_at": "2022-09-04T14:37:06.763393Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n3.850156 0.000000 0.000000\n0.000000 6.296051 -2.262298\n0.000000 0.003652 6.690160\nLi Mn Br\n2 1 4\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500001 0.243805 0.243805 Br\n0.500001 0.756194 0.756195 Br\n0.000000 0.245094 0.754905 Br\n0.000000 0.754905 0.245094 Br\n",
"nsites": 7,
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"elements": [
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],
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{
"id": "jvasp-9349",
"created_at": "2022-09-04T14:37:06.774919Z",
"updated_at": "2022-09-04T14:37:06.774945Z",
"structure_string": "Cr1 W2 O8\n1.0\n4.855531 -0.014272 0.139061\n-1.272273 4.915606 -0.090215\n-0.069417 -2.295940 6.032718\nCr W O\n1 2 8\ndirect\n0.974995 0.099692 0.223239 Cr\n0.710984 0.630940 0.417442 W\n0.239012 0.568449 0.029040 W\n0.622125 0.845121 0.668071 O\n0.849903 0.359717 0.478159 O\n0.606992 0.816489 0.189865 O\n0.882810 0.324562 0.069689 O\n0.100088 0.839670 0.968319 O\n0.327869 0.354267 0.778412 O\n0.342999 0.382896 0.256614 O\n0.067180 0.874821 0.376786 O\n",
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"elements": [
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{
"id": "jvasp-8714",
"created_at": "2022-09-04T14:37:06.777650Z",
"updated_at": "2022-09-04T14:37:06.777670Z",
"structure_string": "Y1 Ni1 Bi1\n1.0\n3.972240 -0.000000 2.293374\n1.324080 3.745064 2.293374\n0.000000 0.000000 4.586748\nY Ni Bi\n1 1 1\ndirect\n0.500000 0.499999 0.500000 Y\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Bi\n",
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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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{
"id": "jvasp-42354",
"created_at": "2022-09-04T14:37:06.783751Z",
"updated_at": "2022-09-04T14:37:06.783778Z",
"structure_string": "Li4 Nb2 O6\n1.0\n2.652773 4.410105 0.046432\n-2.652773 4.410105 -0.046432\n-1.950100 0.000000 4.772957\nLi Nb O\n4 2 6\ndirect\n0.262809 0.262809 0.750000 Li\n0.579507 0.579507 0.750000 Li\n0.420492 0.420492 0.250000 Li\n0.737189 0.737189 0.250000 Li\n0.915095 0.915095 0.750000 Nb\n0.084904 0.084904 0.250000 Nb\n0.162819 0.674283 0.500448 O\n0.325716 0.837180 0.000447 O\n0.000000 0.499999 0.000000 O\n0.674283 0.162818 0.999553 O\n0.499999 -0.000000 0.500000 O\n0.837180 0.325716 0.499553 O\n",
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"formula_full": "Li4 Nb2 O6",
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"formula_anonymous": "AB2C3",
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{
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"created_at": "2022-09-04T14:37:06.793984Z",
"updated_at": "2022-09-04T14:37:06.793995Z",
"structure_string": "Na4 Ga4 O8\n1.0\n5.341946 0.000000 0.000000\n0.000000 5.569543 0.000000\n0.000000 0.000000 7.235977\nNa Ga O\n4 4 8\ndirect\n0.014141 0.068026 0.622465 Na\n0.514142 0.431974 0.122464 Na\n0.514142 0.931974 0.377536 Na\n0.014141 0.568025 0.877536 Na\n-0.000055 0.064209 0.126065 Ga\n0.499946 0.935791 0.873935 Ga\n0.499946 0.435791 0.626065 Ga\n-0.000055 0.564208 0.373935 Ga\n0.153033 0.458901 0.590456 O\n0.653033 0.541099 0.409545 O\n0.653033 0.041099 0.090456 O\n0.153033 0.958901 0.909545 O\n0.082382 0.888877 0.338490 O\n0.082382 0.388877 0.161510 O\n0.582382 0.611122 0.838491 O\n0.582382 0.111123 0.661510 O\n",
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{
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"structure_string": "Sr1 Sn1 Hg2\n1.0\n-12.303764 4.651628 0.492498\n-8.555450 1.628418 3.007001\n-7.029139 5.945476 0.363354\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.000000 0.000001 Sn\n0.746572 0.002586 0.002587 Hg\n0.253427 -0.002586 -0.002585 Hg\n",
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{
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"created_at": "2022-09-04T14:37:06.802294Z",
"updated_at": "2022-09-04T14:37:06.802326Z",
"structure_string": "Ta3 O5 F5\n1.0\n-1.966426 2.003588 11.893206\n1.966426 -2.003588 11.893206\n1.966426 2.003588 -11.893206\nTa O F\n3 5 5\ndirect\n0.000000 0.000000 0.000000 Ta\n0.162895 0.162895 0.000000 Ta\n0.837105 0.837105 0.000000 Ta\n0.838188 0.338188 0.500000 O\n0.500000 0.000000 0.500000 O\n0.081601 0.081601 -0.000000 O\n0.918400 0.918400 0.000000 O\n0.161812 0.661813 0.500001 O\n0.663703 0.163702 0.500000 F\n0.243445 0.243445 0.000000 F\n0.756554 0.756554 -0.000000 F\n0.000000 0.500001 0.500001 F\n0.336298 0.836299 0.500001 F\n",
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{
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"created_at": "2022-09-04T14:37:06.843280Z",
"updated_at": "2022-09-04T14:37:06.843295Z",
"structure_string": "Na2 Mn2 Cl6\n1.0\n5.845374 -0.008193 4.261165\n2.162413 5.430694 4.261164\n-0.012099 -0.008192 7.233655\nNa Mn Cl\n2 2 6\ndirect\n0.853211 0.853213 0.853213 Na\n0.146787 0.146787 0.146787 Na\n0.659031 0.659032 0.659032 Mn\n0.340967 0.340968 0.340968 Mn\n0.931959 0.551684 0.282655 Cl\n0.282655 0.931960 0.551685 Cl\n0.448315 0.717344 0.068040 Cl\n0.068039 0.448316 0.717345 Cl\n0.717344 0.068040 0.448316 Cl\n0.551683 0.282656 0.931961 Cl\n",
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"formula_full": "Na2 Mn2 Cl6",
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}
]
}