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{
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{
"id": "jvasp-90627",
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{
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{
"id": "jvasp-112350",
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"structure_string": "Si4 Ni4 W4\n1.0\n4.723530 -0.002505 0.000000\n-2.224610 4.166876 0.000000\n0.000000 0.000000 7.663245\nSi Ni W\n4 4 4\ndirect\n0.353799 0.158464 -0.000000 Si\n0.841537 0.646203 -0.000000 Si\n0.989832 0.010170 0.270861 Si\n0.989832 0.010170 0.729138 Si\n0.165263 0.834739 0.500000 Ni\n0.649862 0.832808 0.500000 Ni\n0.167194 0.350140 0.500000 Ni\n0.852185 0.147816 -0.000000 Ni\n0.336173 0.663828 0.812803 W\n0.659129 0.340873 0.691521 W\n0.659129 0.340873 0.308479 W\n0.336173 0.663828 0.187196 W\n",
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"formula_full": "Si4 Ni4 W4",
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"spacegroup": 38
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{
"id": "jvasp-85837",
"created_at": "2022-09-04T14:35:46.651826Z",
"updated_at": "2022-09-04T14:35:46.651854Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 -0.000000 0.000000\n0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
"nsites": 12,
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"elements": [
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"density": 7.194381358419409,
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"formula_full": "Si4 Ni8",
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{
"id": "jvasp-86336",
"created_at": "2022-09-04T14:36:11.821853Z",
"updated_at": "2022-09-04T14:36:11.821873Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 0.000000 0.000000\n-0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
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{
"id": "jvasp-40636",
"created_at": "2022-09-04T14:37:26.973476Z",
"updated_at": "2022-09-04T14:37:26.973501Z",
"structure_string": "Si4 O10\n1.0\n-3.008464 6.344778 2.516483\n3.008464 -6.344778 2.516483\n3.008464 6.344778 -2.516483\nSi O\n4 10\ndirect\n0.566606 0.052919 0.719018 Si\n0.333900 0.847586 0.280981 Si\n0.833901 0.052919 0.986313 Si\n0.066605 0.847586 0.013686 Si\n0.497559 0.997558 0.499999 O\n0.997558 0.997558 0.000000 O\n0.278585 0.828673 0.817065 O\n0.011607 0.461518 0.182934 O\n0.511607 0.828673 0.050088 O\n0.778586 0.461518 0.949911 O\n0.722806 0.918625 0.580793 O\n0.337834 0.142013 0.419206 O\n0.837833 0.918625 0.695820 O\n0.222806 0.142013 0.304180 O\n",
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"density": 2.353633894357978,
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"volume": 192.1388744127238,
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"formula_full": "Si4 O10",
"formula_reduced": "Si2O5",
"formula_anonymous": "A2B5",
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"spacegroup": 46
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{
"id": "jvasp-34621",
"created_at": "2022-09-04T14:37:12.434655Z",
"updated_at": "2022-09-04T14:37:12.434680Z",
"structure_string": "Si4 O8\n1.0\n5.096504 -0.095424 -0.766224\n-0.580727 5.064209 -0.766224\n-0.062498 -0.068767 6.828436\nSi O\n4 8\ndirect\n0.445615 0.188090 0.572369 Si\n0.811909 0.554385 0.427633 Si\n0.996372 0.998298 0.764610 Si\n0.001702 0.003625 0.235392 Si\n0.241251 0.209976 0.733432 O\n0.530654 0.469345 0.500001 O\n0.013999 0.707257 0.633908 O\n0.912928 0.287973 0.321171 O\n0.790022 0.758749 0.266570 O\n0.018840 0.981160 0.000001 O\n0.712026 0.087071 0.678831 O\n0.292742 0.986001 0.366094 O\n",
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"elements": [
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"volume": 175.31568396952684,
"volume_molar": 8.798131052501384,
"formula_full": "Si4 O8",
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"spacegroup": 5
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{
"id": "jvasp-34291",
"created_at": "2022-09-04T14:37:13.415396Z",
"updated_at": "2022-09-04T14:37:13.415427Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.304160 0.011656\n4.268538 0.000000 0.000000\n0.000000 -4.209095 -6.882113\nSi O\n4 8\ndirect\n0.305855 0.124101 0.880652 Si\n0.016182 0.538715 0.003894 Si\n0.016181 0.461285 0.503893 Si\n0.305856 0.875899 0.380652 Si\n0.980797 0.246210 0.660023 O\n0.340897 0.723954 0.579579 O\n0.340898 0.276046 0.079579 O\n0.661292 0.704977 0.389257 O\n0.142339 0.773389 0.881783 O\n0.142340 0.226611 0.381783 O\n0.980798 0.753790 0.160023 O\n0.661291 0.295024 0.889257 O\n",
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"formula_full": "Si4 O8",
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"spacegroup": 7
},
{
"id": "jvasp-34484",
"created_at": "2022-09-04T14:37:19.005725Z",
"updated_at": "2022-09-04T14:37:19.005755Z",
"structure_string": "Si4 O8\n1.0\n4.526860 0.000000 1.467756\n2.263429 4.749201 0.733878\n-0.030794 -0.000000 7.809734\nSi O\n4 8\ndirect\n0.061911 0.250000 0.876178 Si\n0.311911 0.750000 0.376179 Si\n0.938090 0.750000 0.123822 Si\n0.688091 0.250000 0.623821 Si\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500001 0.500000 0.500000 O\n0.439314 0.121374 0.750000 O\n0.810688 0.378626 0.750000 O\n0.189314 0.621374 0.250000 O\n0.560688 0.878626 0.250000 O\n",
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{
"id": "jvasp-34650",
"created_at": "2022-09-04T14:37:19.332917Z",
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"structure_string": "Si4 O8\n1.0\n-5.179253 -0.004868 0.091283\n0.682957 5.488951 -0.097670\n0.044482 -2.205989 -6.071411\nSi O\n4 8\ndirect\n0.684892 0.769790 0.748565 Si\n0.947018 0.301885 0.797792 Si\n0.842450 0.900592 0.351753 Si\n0.312921 0.735862 0.045275 Si\n0.952851 0.182756 0.530471 O\n0.830156 0.063196 0.879915 O\n0.758822 0.704342 0.492976 O\n0.571822 0.872396 0.208058 O\n0.075344 0.845315 0.188599 O\n0.221700 0.420607 0.949551 O\n0.377850 0.791833 0.811784 O\n0.771546 0.538900 0.831643 O\n",
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},
{
"id": "jvasp-34636",
"created_at": "2022-09-04T14:37:12.475583Z",
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"structure_string": "Si4 O8\n1.0\n5.129491 -0.017871 0.033309\n-2.537366 4.889320 0.010052\n-0.963379 -1.212749 5.673608\nSi O\n4 8\ndirect\n0.828242 0.503240 0.397060 Si\n-0.004522 0.064971 0.472916 Si\n0.529165 0.270243 0.911000 Si\n0.131000 0.768539 0.082959 Si\n0.402743 0.941653 0.950831 O\n0.028969 0.993924 0.200220 O\n0.775917 0.206522 0.465748 O\n0.550168 0.432440 0.170271 O\n0.160288 0.631761 0.318075 O\n0.310721 0.268324 0.675139 O\n0.841509 0.767960 0.565614 O\n0.879272 0.476522 0.889007 O\n",
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},
{
"id": "jvasp-91448",
"created_at": "2022-09-04T14:36:06.115912Z",
"updated_at": "2022-09-04T14:36:06.115940Z",
"structure_string": "Si4 O8\n1.0\n5.006967 0.087485 -0.092202\n-0.157617 5.425444 -0.306347\n-0.103594 -0.270499 6.210018\nSi O\n4 8\ndirect\n0.495054 0.728790 0.130604 Si\n0.203859 0.227193 0.100085 Si\n0.853932 0.496628 0.825507 Si\n0.335905 0.510401 0.528339 Si\n0.790955 0.717851 0.022410 O\n0.603257 0.419621 0.654656 O\n0.931944 0.248974 0.948805 O\n0.382221 0.457164 0.033103 O\n0.451306 0.733506 0.391442 O\n0.191562 0.285441 0.364159 O\n0.342607 0.962875 0.042820 O\n0.098722 0.602269 0.689490 O\n",
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}
]
}