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{
"id": "jvasp-9639",
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"updated_at": "2022-09-04T14:37:19.610052Z",
"structure_string": "Y2 Sn4 O8\n1.0\n6.071463 0.207927 3.675743\n2.172189 5.673400 3.675743\n0.291442 0.207927 7.091460\nY Sn O\n2 4 8\ndirect\n0.634096 0.634097 0.634096 Y\n0.365903 0.365904 0.365903 Y\n0.000000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.000000 0.500000 Sn\n0.233046 0.780369 0.780368 O\n0.219631 0.219631 0.766953 O\n0.219631 0.766954 0.219631 O\n0.249299 0.249299 0.249299 O\n0.780369 0.780370 0.233046 O\n0.766953 0.219632 0.219631 O\n0.780368 0.233047 0.780369 O\n0.750701 0.750702 0.750701 O\n",
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{
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"structure_string": "Mg2 Sn4 O8\n1.0\n6.492137 -0.303622 0.014617\n2.983124 5.774166 0.014617\n3.170354 1.830405 5.177167\nMg Sn O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Mg\n0.624999 0.125001 0.625001 Mg\n0.011971 0.011973 0.988028 Sn\n0.238027 0.238028 0.261973 Sn\n0.624999 0.625000 0.125001 Sn\n0.624999 0.625001 0.625001 Sn\n0.390227 0.390229 0.382785 O\n0.411877 0.806786 0.390669 O\n0.390227 0.390229 0.836761 O\n0.806785 0.411878 0.390669 O\n0.443213 0.838123 0.859333 O\n0.838121 0.443215 0.859333 O\n0.859770 0.859772 0.413241 O\n0.859770 0.859773 0.867217 O\n",
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{
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"updated_at": "2022-09-04T14:37:12.542512Z",
"structure_string": "Dy6 S8\n1.0\n6.765015 -0.000000 -2.391794\n-3.382507 5.858674 -2.391794\n0.000000 0.000000 7.175381\nDy S\n6 8\ndirect\n0.124999 0.749999 0.875000 Dy\n0.624999 0.375000 0.250000 Dy\n0.375000 0.250000 0.625000 Dy\n0.749999 0.874999 0.125000 Dy\n0.249999 0.625000 0.375000 Dy\n0.874999 0.125000 0.750000 Dy\n0.643347 0.643347 0.643348 S\n-0.000001 0.856651 0.500000 S\n0.856651 0.500000 0.000000 S\n-0.000000 0.356652 0.500000 S\n0.500000 -0.000000 0.856652 S\n0.500000 -0.000000 0.356652 S\n0.356651 0.500000 0.000000 S\n0.143348 0.143348 0.143348 S\n",
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{
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"created_at": "2022-09-04T14:37:32.080838Z",
"updated_at": "2022-09-04T14:37:32.080851Z",
"structure_string": "Ba1 Ca1 Ga4 O8\n1.0\n4.811057 0.000000 2.007934\n2.141069 6.169911 1.637618\n0.014464 0.009740 6.733014\nBa Ca Ga O\n1 1 4 8\ndirect\n0.986331 0.000000 -0.000001 Ba\n0.068882 0.500000 0.500000 Ca\n0.373078 0.458263 0.876652 Ga\n0.707995 0.123348 0.541736 Ga\n0.707995 0.541737 0.123347 Ga\n0.373078 0.876652 0.458263 Ga\n0.734864 0.867843 0.460427 O\n0.063135 0.132156 0.539572 O\n0.426597 0.189376 0.810623 O\n0.426598 0.810623 0.189376 O\n0.063135 0.539572 0.132157 O\n0.734864 0.460427 0.867843 O\n0.581465 0.325510 0.325510 O\n0.232486 0.674489 0.674489 O\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:37:28.346297Z",
"updated_at": "2022-09-04T14:37:28.346320Z",
"structure_string": "Li2 Co2 Sn2 O8\n1.0\n-3.136563 1.747850 4.802589\n-3.136563 5.110541 0.047026\n-3.136563 -1.747850 -4.802589\nLi Co Sn O\n2 2 2 8\ndirect\n0.749999 0.120191 0.629808 Li\n0.250000 0.879809 0.370190 Li\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.500000 -0.000001 Sn\n-0.000000 0.500000 0.499999 Sn\n0.541391 0.746372 0.795017 O\n0.958608 0.746372 0.212235 O\n0.989453 0.277567 0.232979 O\n0.510547 0.756473 0.232979 O\n0.489453 0.243526 0.767020 O\n0.010546 0.722433 0.767020 O\n0.041391 0.253628 0.787763 O\n0.458608 0.253628 0.204981 O\n",
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{
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"created_at": "2022-09-04T14:37:14.066340Z",
"updated_at": "2022-09-04T14:37:14.066371Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.877229 0.011509 0.000411\n3.428572 6.028620 -0.002950\n3.435044 1.977352 5.691249\nLi Cr S\n2 4 8\ndirect\n-0.003769 0.003721 0.003839 Li\n-0.003801 0.503846 0.503698 Li\n0.486291 0.998525 0.498510 Cr\n0.501389 -0.000035 0.997245 Cr\n0.016691 -0.001495 0.498518 Cr\n0.501396 0.497255 0.499959 Cr\n0.256937 0.746778 0.739363 S\n0.730206 0.754543 0.254522 S\n0.256935 0.239363 0.246773 S\n0.746046 0.243400 0.743400 S\n0.741926 0.781293 0.734859 S\n0.267132 0.243415 0.743399 S\n0.260732 0.754531 0.254535 S\n0.741929 0.234865 0.281296 S\n",
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"formula_full": "Li2 Cr4 S8",
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{
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"created_at": "2022-09-04T14:37:27.388734Z",
"updated_at": "2022-09-04T14:37:27.388743Z",
"structure_string": "Ba1 Ca1 Ni4 O8\n1.0\n2.656795 -4.601705 0.000000\n2.656795 4.601705 0.000000\n0.000000 -0.000000 7.655631\nBa Ca Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666668 0.760793 Ni\n0.666668 0.333334 0.760793 Ni\n0.333334 0.666668 0.239207 Ni\n0.666668 0.333334 0.239207 Ni\n0.334621 0.334621 0.701852 O\n0.665380 0.000001 0.701852 O\n0.000001 0.665380 0.701852 O\n0.665381 0.665381 0.298148 O\n0.000000 0.334620 0.298148 O\n0.334620 0.000000 0.298148 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:30.589471Z",
"updated_at": "2022-09-04T14:37:30.589504Z",
"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
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{
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"structure_string": "Mg2 Mo4 O8\n1.0\n5.980715 0.038039 0.004993\n2.957132 5.198538 0.016414\n2.975420 1.732194 4.992524\nMg Mo O\n2 4 8\ndirect\n0.859545 0.359560 0.921330 Mg\n0.104774 0.604772 0.185654 Mg\n0.477098 0.977104 0.516430 Mo\n0.530060 0.030045 0.909835 Mo\n0.029376 0.977101 0.516429 Mo\n0.477099 0.529369 0.516437 Mo\n0.234051 0.734073 0.797785 O\n0.719385 0.776537 0.227566 O\n0.276546 0.219384 0.227569 O\n0.771139 0.271146 0.716652 O\n0.771128 0.741066 0.716650 O\n0.241058 0.271113 0.716697 O\n0.276521 0.776495 0.227595 O\n0.732230 0.232237 0.303357 O\n",
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"structure_string": "Nb6 Te6 As2\n1.0\n5.250471 -9.094083 0.000000\n5.250471 9.094083 0.000000\n0.000000 0.000000 3.614554\nNb Te As\n6 6 2\ndirect\n0.495993 0.874631 0.250000 Nb\n0.125368 0.621360 0.250000 Nb\n0.504007 0.125368 0.749999 Nb\n0.378640 0.504007 0.250000 Nb\n0.874631 0.378640 0.749999 Nb\n0.621360 0.495993 0.749999 Nb\n0.051462 0.328190 0.250000 Te\n0.948538 0.671810 0.749999 Te\n0.723272 0.051462 0.749999 Te\n0.671810 0.723272 0.250000 Te\n0.328190 0.276728 0.749999 Te\n0.276728 0.948538 0.250000 Te\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.749999 As\n",
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{
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"updated_at": "2022-09-04T14:37:19.668375Z",
"structure_string": "Al2 Co4 O8\n1.0\n-4.062666 4.056256 -0.008384\n4.062666 -0.008384 4.056256\n4.062666 4.056256 -0.008384\nAl Co O\n2 4 8\ndirect\n0.500001 0.000001 0.500000 Al\n0.000001 0.500001 0.500000 Al\n0.123889 0.250001 0.126112 Co\n0.876114 0.750002 0.873889 Co\n0.500001 0.000000 -0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.740034 0.028762 0.731205 O\n0.740034 0.471241 0.288727 O\n0.741597 0.476788 0.735190 O\n0.288025 0.023215 0.735190 O\n0.711977 0.976788 0.264811 O\n0.258405 0.523215 0.264811 O\n0.259968 0.971241 0.268795 O\n0.259968 0.528762 0.711273 O\n",
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]
}