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{
"id": "jvasp-45078",
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"structure_string": "Na6 Mn2 P2 C2 O14\n1.0\n0.000000 5.282388 -0.002550\n6.621327 0.000000 0.000000\n0.000000 -0.077293 -9.002156\nNa Mn P C O\n6 2 2 2 14\ndirect\n-0.000040 0.513567 0.999952 Na\n0.560739 0.763701 0.836402 Na\n0.500109 0.513412 0.500065 Na\n0.499892 0.013412 0.499935 Na\n0.439262 0.263701 0.163599 Na\n0.000041 0.013567 0.000049 Na\n0.979963 0.263456 0.704567 Mn\n0.020038 0.763456 0.295433 Mn\n0.984093 0.263470 0.342675 P\n0.015908 0.763470 0.657325 P\n0.502719 0.263477 0.850410 C\n0.497282 0.763477 0.149590 C\n0.072620 0.450419 0.251038 O\n0.072867 0.076514 0.251129 O\n0.443192 0.763338 0.288982 O\n0.696382 0.263390 0.364561 O\n0.127414 0.263578 0.494837 O\n0.872587 0.763579 0.505164 O\n0.680849 0.263519 0.950776 O\n0.556809 0.263337 0.711019 O\n0.927134 0.576514 0.748871 O\n0.927381 0.950419 0.748962 O\n0.265802 0.263562 0.892937 O\n0.734199 0.763562 0.107063 O\n0.303619 0.763390 0.635439 O\n0.319152 0.763519 0.049225 O\n",
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{
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"structure_string": "Sr4 Ge2 S8\n1.0\n0.000000 6.743238 0.007358\n6.682849 0.000000 0.000000\n0.000000 -2.545574 -7.814259\nSr Ge S\n4 2 8\ndirect\n0.764943 0.750000 0.566569 Sr\n0.235058 0.250000 0.433431 Sr\n0.723675 0.750000 0.054799 Sr\n0.276325 0.250000 0.945200 Sr\n0.273861 0.750000 0.199354 Ge\n0.726140 0.250000 0.800645 Ge\n0.503666 0.505970 0.740385 S\n0.496335 0.005970 0.259615 S\n0.496335 0.494030 0.259615 S\n0.503666 0.994030 0.740385 S\n0.082001 0.750000 0.377654 S\n0.918000 0.250000 0.622346 S\n0.903500 0.250000 0.079558 S\n0.096500 0.750000 0.920442 S\n",
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{
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"updated_at": "2022-09-04T14:38:08.723885Z",
"structure_string": "Tm2 O4\n1.0\n3.567639 0.000000 0.000000\n-0.000000 3.922746 1.212028\n0.000000 -0.045559 6.012200\nTm O\n2 4\ndirect\n0.250000 0.171873 0.190135 Tm\n0.750000 0.828128 0.809865 Tm\n0.250000 0.806874 0.553898 O\n0.750000 0.193127 0.446102 O\n0.250000 0.733705 0.047969 O\n0.750000 0.266296 0.952032 O\n",
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{
"id": "jvasp-44521",
"created_at": "2022-09-04T14:38:09.016542Z",
"updated_at": "2022-09-04T14:38:09.016570Z",
"structure_string": "Na6 Si2 Sb2 C2 O14\n1.0\n0.000000 5.101285 0.065533\n6.965473 0.000000 0.000000\n0.000000 -0.293989 -9.503617\nNa Si Sb C O\n6 2 2 2 14\ndirect\n0.783960 0.250000 0.096326 Na\n0.248068 0.001881 0.249975 Na\n0.248068 0.498119 0.249975 Na\n0.751931 0.501881 0.750026 Na\n0.751931 0.998119 0.750026 Na\n0.216039 0.750000 0.903675 Na\n0.720217 0.250000 0.407635 Si\n0.279782 0.750000 0.592366 Si\n0.246565 0.250000 0.635979 Sb\n0.753434 0.750000 0.364021 Sb\n0.723763 0.750000 0.049914 C\n0.276236 0.250000 0.950086 C\n0.507452 0.250000 0.899956 O\n0.188975 0.937570 0.682947 O\n0.188975 0.562429 0.682947 O\n0.603488 0.750000 0.582223 O\n0.854808 0.250000 0.572175 O\n0.145191 0.750000 0.427826 O\n0.247666 0.250000 0.084803 O\n0.811024 0.437570 0.317053 O\n0.811024 0.062429 0.317053 O\n0.492546 0.750000 0.100045 O\n0.933572 0.750000 0.134854 O\n0.066427 0.250000 0.865147 O\n0.396511 0.250000 0.417777 O\n0.752333 0.750000 0.915198 O\n",
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{
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"created_at": "2022-09-04T14:38:09.049029Z",
"updated_at": "2022-09-04T14:38:09.049060Z",
"structure_string": "K4 Cr2 P2 C2 O14\n1.0\n0.000000 5.500074 -0.035356\n6.612280 0.000000 0.000000\n0.000000 0.000968 -9.625883\nK Cr P C O\n4 2 2 2 14\ndirect\n0.244153 0.473264 0.244786 K\n0.244153 0.026736 0.244786 K\n0.755847 0.526736 0.755214 K\n0.755847 0.973264 0.755214 K\n0.773267 0.750000 0.356296 Cr\n0.226732 0.250000 0.643704 Cr\n0.722499 0.250000 0.432269 P\n0.277500 0.750000 0.567731 P\n0.725952 0.750000 0.103892 C\n0.274047 0.250000 0.896109 C\n0.454471 0.250000 0.804237 O\n0.229508 0.940816 0.658075 O\n0.229508 0.559184 0.658075 O\n0.892192 0.250000 0.560117 O\n0.550333 0.750000 0.520957 O\n0.449667 0.250000 0.479044 O\n0.936999 0.750000 0.167735 O\n0.770492 0.440816 0.341925 O\n0.770492 0.059184 0.341925 O\n0.545529 0.750000 0.195763 O\n0.063001 0.250000 0.832265 O\n0.302477 0.250000 0.023883 O\n0.107808 0.750000 0.439883 O\n0.697523 0.750000 0.976117 O\n",
"nsites": 24,
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{
"id": "jvasp-5431",
"created_at": "2022-09-04T14:38:09.405910Z",
"updated_at": "2022-09-04T14:38:09.405929Z",
"structure_string": "S6 N6 Cl6\n1.0\n0.000000 5.489216 0.040502\n11.129853 0.000000 0.000000\n0.000000 -0.942670 -5.957864\nS N Cl\n6 6 6\ndirect\n0.948344 0.878562 0.779590 S\n0.051656 0.378562 0.220410 S\n0.051656 0.121438 0.220410 S\n0.948344 0.621438 0.779590 S\n0.121633 0.750000 0.183449 S\n0.878367 0.250000 0.816551 S\n0.116180 0.250000 0.333022 N\n0.883820 0.750000 0.666978 N\n0.024585 0.630339 0.046672 N\n0.975416 0.130339 0.953327 N\n0.975416 0.369660 0.953327 N\n0.024585 0.869660 0.046672 N\n0.303025 0.925968 0.660497 Cl\n0.696976 0.425968 0.339502 Cl\n0.696976 0.074032 0.339502 Cl\n0.303025 0.574032 0.660497 Cl\n0.509586 0.750000 0.170070 Cl\n0.490415 0.250000 0.829930 Cl\n",
"nsites": 18,
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{
"id": "jvasp-43019",
"created_at": "2022-09-04T14:38:09.416707Z",
"updated_at": "2022-09-04T14:38:09.416735Z",
"structure_string": "Ti2 Ni2 P4 O16\n1.0\n0.000000 4.808219 0.020906\n5.792454 0.000000 0.000000\n0.000000 -0.163441 -9.841939\nTi Ni P O\n2 2 4 16\ndirect\n0.546924 0.250000 0.229064 Ti\n0.453076 0.749999 0.770936 Ti\n0.055342 0.749999 0.272761 Ni\n0.944658 0.250000 0.727239 Ni\n0.583717 0.749999 0.094030 P\n0.126530 0.250000 0.411497 P\n0.873470 0.749999 0.588502 P\n0.416283 0.250000 0.905970 P\n0.269137 0.039543 0.831886 O\n0.269137 0.460457 0.831886 O\n0.723266 0.546385 0.665420 O\n0.723266 0.953614 0.665420 O\n0.184985 0.749999 0.628045 O\n0.172899 0.250000 0.562275 O\n0.827101 0.749999 0.437725 O\n0.730863 0.539542 0.168113 O\n0.276734 0.453614 0.334580 O\n0.276734 0.046385 0.334580 O\n0.727883 0.250000 0.892881 O\n0.730863 0.960457 0.168113 O\n0.272118 0.749999 0.107118 O\n0.342178 0.250000 0.058352 O\n0.815015 0.250000 0.371955 O\n0.657823 0.749999 0.941648 O\n",
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{
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"created_at": "2022-09-04T14:38:09.432298Z",
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"structure_string": "Ca4 Cr4 O8\n1.0\n3.068958 0.003986 0.004884\n-0.011000 8.151933 0.061724\n-0.012580 -0.905185 8.444733\nCa Cr O\n4 4 8\ndirect\n0.751979 0.931490 0.334953 Ca\n0.251983 0.088591 0.693249 Ca\n0.751995 0.195995 0.055228 Ca\n0.251974 0.824092 0.972974 Ca\n0.752009 0.728325 0.622933 Cr\n0.251945 0.562193 0.213081 Cr\n0.752025 0.457899 0.815131 Cr\n0.251959 0.291744 0.405263 Cr\n0.751967 0.186678 0.511278 O\n0.252021 0.615831 0.750467 O\n0.751940 0.404261 0.277743 O\n0.252002 0.833392 0.516911 O\n0.751983 0.973393 0.848217 O\n0.751953 0.695762 0.140945 O\n0.251977 0.046696 0.179981 O\n0.252017 0.324320 0.887255 O\n",
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{
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"created_at": "2022-09-04T14:38:09.568512Z",
"updated_at": "2022-09-04T14:38:09.568528Z",
"structure_string": "Ta2 Zn4 Sb2 O12\n1.0\n0.000000 5.471513 0.010552\n7.977023 0.000000 0.000000\n0.000000 -0.250311 -5.528963\nTa Zn Sb O\n2 4 2 12\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 Ta\n0.520056 0.250000 0.477293 Zn\n0.479943 0.750000 0.522707 Zn\n0.022229 0.250000 0.013864 Zn\n0.977770 0.750000 0.986136 Zn\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.321601 0.427710 0.632841 O\n0.908580 0.250000 0.375119 O\n0.678399 0.927710 0.367158 O\n0.621307 0.750000 0.868309 O\n0.858214 0.071040 0.808837 O\n0.141785 0.928960 0.191162 O\n0.858214 0.428960 0.808837 O\n0.321601 0.072290 0.632841 O\n0.378692 0.250000 0.131691 O\n0.678399 0.572290 0.367158 O\n0.141785 0.571040 0.191162 O\n0.091420 0.750000 0.624881 O\n",
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{
"id": "jvasp-46827",
"created_at": "2022-09-04T14:38:09.824345Z",
"updated_at": "2022-09-04T14:38:09.824372Z",
"structure_string": "Na6 Cd2 P2 C2 O14\n1.0\n0.000000 5.181994 0.009687\n6.867283 0.000000 0.000000\n0.000000 -0.042858 -9.176255\nNa Cd P C O\n6 2 2 2 14\ndirect\n0.760236 0.250000 0.083227 Na\n0.241568 -0.002531 0.252228 Na\n0.241568 0.502531 0.252228 Na\n0.758431 0.497469 0.747772 Na\n0.758431 0.002531 0.747772 Na\n0.239763 0.750000 0.916773 Na\n0.767814 0.750000 0.370858 Cd\n0.232185 0.250000 0.629141 Cd\n0.297632 0.750000 0.594677 P\n0.702367 0.250000 0.405322 P\n0.736668 0.750000 0.059653 C\n0.263331 0.250000 0.940346 C\n0.468047 0.250000 0.858207 O\n0.202429 0.929155 0.682723 O\n0.202429 0.570844 0.682723 O\n0.599153 0.750000 0.592549 O\n0.798284 0.250000 0.565832 O\n0.201715 0.750000 0.434167 O\n0.289200 0.250000 0.080944 O\n0.797570 0.429156 0.317276 O\n0.797570 0.070844 0.317276 O\n0.531952 0.750000 0.141792 O\n0.965071 0.750000 0.118779 O\n0.034928 0.250000 0.881220 O\n0.400846 0.250000 0.407450 O\n0.710799 0.750000 0.919055 O\n",
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{
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"created_at": "2022-09-04T14:38:09.891836Z",
"updated_at": "2022-09-04T14:38:09.891853Z",
"structure_string": "Li4 Fe2 Ni2 P4 O16\n1.0\n0.000000 4.706110 -0.000691\n5.959381 0.000000 0.000000\n0.000000 -0.083885 -10.152907\nLi Fe Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.022280 0.750000 0.277880 Fe\n0.977719 0.250000 0.722120 Fe\n0.525165 0.250000 0.221665 Ni\n0.474834 0.750000 0.778335 Ni\n0.417178 0.250000 0.908290 P\n0.921433 0.750000 0.595589 P\n0.078566 0.250000 0.404411 P\n0.582821 0.750000 0.091710 P\n0.276615 0.044651 0.835640 O\n0.276615 0.455349 0.835640 O\n0.787674 0.541440 0.666254 O\n0.787674 0.958560 0.666254 O\n0.247323 0.750000 0.596553 O\n0.207847 0.250000 0.545983 O\n0.792152 0.750000 0.454017 O\n0.257204 0.750000 0.095567 O\n0.212325 0.041440 0.333746 O\n0.212325 0.458560 0.333746 O\n0.723384 0.544651 0.164360 O\n0.723384 0.955349 0.164360 O\n0.742795 0.250000 0.904433 O\n0.295417 0.250000 0.049818 O\n0.752676 0.250000 0.403447 O\n0.704582 0.750000 0.950182 O\n",
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{
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"updated_at": "2022-09-04T14:38:09.865655Z",
"structure_string": "Ti2 Ni2\n1.0\n0.000000 2.935173 0.362775\n3.984041 0.000000 0.000000\n0.000000 -0.604896 -4.775653\nTi Ni\n2 2\ndirect\n0.625750 0.250000 0.284978 Ti\n0.374248 0.750000 0.715022 Ti\n0.074648 0.750000 0.172807 Ni\n-0.074649 0.250000 0.827192 Ni\n",
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}
]
}