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{
"id": "jvasp-11053",
"created_at": "2022-09-04T14:37:33.923078Z",
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"structure_string": "Ca2 Ni2 W2 O12\n1.0\n0.000000 5.233687 0.004043\n5.312172 0.000000 0.000000\n0.000000 -5.213652 -7.457449\nCa Ni W O\n2 2 2 12\ndirect\n0.762174 0.700651 0.251101 Ca\n0.762174 0.299348 0.751102 Ca\n0.001790 0.747849 0.999806 Ni\n0.001789 0.252151 0.499806 Ni\n0.502082 0.235642 0.000568 W\n0.502082 0.764358 0.500568 W\n0.166096 0.962828 0.461826 O\n0.832202 0.457960 0.036933 O\n0.251603 0.460083 0.461175 O\n0.752044 0.953583 0.040358 O\n0.752045 0.046416 0.540358 O\n0.322862 0.759631 0.248192 O\n0.674757 0.258766 0.252811 O\n0.166096 0.037172 0.961826 O\n0.322862 0.240368 0.748192 O\n0.674757 0.741234 0.752811 O\n0.251603 0.539917 0.961175 O\n0.832203 0.542040 0.536933 O\n",
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{
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"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
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{
"id": "jvasp-8227",
"created_at": "2022-09-04T14:36:35.166902Z",
"updated_at": "2022-09-04T14:36:35.166923Z",
"structure_string": "La1 V1 Cr1 O6\n1.0\n5.310875 0.011556 0.001467\n-0.011147 5.311133 -0.009122\n-2.651145 -2.655105 3.761021\nLa V Cr O\n1 1 1 6\ndirect\n0.260418 0.760446 0.011323 La\n0.010169 0.010288 0.511313 V\n0.510172 0.510194 0.511272 Cr\n0.258968 0.757493 0.518835 O\n0.267563 0.256342 0.513386 O\n0.752536 0.763881 0.508994 O\n0.764237 0.756812 0.009806 O\n0.256060 0.263533 0.012777 O\n0.761284 0.262836 0.503946 O\n",
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],
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"formula_full": "La1 V1 Cr1 O6",
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{
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"created_at": "2022-09-04T14:36:35.869879Z",
"updated_at": "2022-09-04T14:36:35.869909Z",
"structure_string": "Na1 Ca1 H6 Ir1\n1.0\n4.397936 0.000000 2.539149\n1.465979 4.146414 2.539149\n0.000000 0.000000 5.078299\nNa Ca H Ir\n1 1 6 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.749999 0.750000 Ca\n0.764830 0.235170 0.235170 H\n0.235171 0.764829 0.235171 H\n0.764831 0.764829 0.235171 H\n0.235171 0.764829 0.764830 H\n0.764830 0.235170 0.764829 H\n0.235171 0.235170 0.764829 H\n0.000000 0.000000 0.000000 Ir\n",
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],
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"volume": 92.60615121619436,
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{
"id": "jvasp-29516",
"created_at": "2022-09-04T14:36:50.786235Z",
"updated_at": "2022-09-04T14:36:50.786259Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.316959 0.000000 0.000000\n0.000000 5.316959 -0.000000\n0.000000 0.000000 9.105014\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.762831 Te\n0.000000 0.500000 0.237169 Te\n0.500000 0.000000 0.183130 Mo\n0.000000 0.500000 0.816870 Mo\n0.818296 0.681704 0.932690 O\n0.306112 0.193889 0.625967 O\n0.283116 0.216884 0.284193 O\n0.693889 0.806112 0.625967 O\n0.216884 0.716884 0.715806 O\n0.193889 0.693889 0.374032 O\n0.806112 0.306112 0.374032 O\n0.181704 0.318296 0.932690 O\n0.318296 0.818296 0.067310 O\n0.681704 0.181704 0.067310 O\n0.783116 0.283116 0.715806 O\n0.716884 0.783116 0.284193 O\n",
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{
"id": "jvasp-54553",
"created_at": "2022-09-04T14:38:33.601582Z",
"updated_at": "2022-09-04T14:38:33.601600Z",
"structure_string": "Li2 Nb2 W2 O12\n1.0\n4.734553 -0.000000 -0.000000\n0.000000 4.734553 -0.000000\n-0.000000 0.000000 9.334051\nLi Nb W O\n2 2 2 12\ndirect\n0.500000 0.000000 0.421480 Li\n0.000000 0.500000 0.578519 Li\n0.500000 0.000000 0.091010 Nb\n0.000000 0.500000 0.908989 Nb\n0.000000 0.500000 0.272662 W\n0.500000 0.000000 0.727338 W\n0.304878 0.804877 0.918216 O\n0.804877 0.695122 0.081784 O\n0.195122 0.304878 0.081784 O\n0.714482 0.214483 0.230555 O\n0.285517 0.785517 0.230555 O\n0.701286 0.201287 0.604404 O\n0.298713 0.798713 0.604404 O\n0.695122 0.195122 0.918216 O\n0.798713 0.701286 0.395596 O\n0.214483 0.285517 0.769445 O\n0.785517 0.714482 0.769445 O\n0.201287 0.298713 0.395596 O\n",
"nsites": 18,
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"density": 6.026608824254163,
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"volume": 209.23201356855483,
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"formula_full": "Li2 Nb2 W2 O12",
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},
{
"id": "jvasp-116565",
"created_at": "2022-09-04T14:38:42.158129Z",
"updated_at": "2022-09-04T14:38:42.158162Z",
"structure_string": "Li3 Mg3 Al3 F18\n1.0\n8.355380 0.000000 0.000000\n-4.177691 7.235971 0.000000\n-0.000000 -0.000000 4.525287\nLi Mg Al F\n3 3 3 18\ndirect\n0.297321 0.297321 0.500000 Li\n0.000000 0.702679 0.500000 Li\n0.702679 -0.000000 0.500000 Li\n0.640081 0.640081 -0.000000 Mg\n0.000000 0.359919 -0.000000 Mg\n0.359919 -0.000000 -0.000000 Mg\n0.333333 0.666667 0.495330 Al\n0.666667 0.333333 0.504670 Al\n0.000000 0.000000 0.000000 Al\n0.575453 0.126268 0.734167 F\n0.760057 0.541194 0.277354 F\n0.541194 0.760057 0.722647 F\n0.239943 0.781138 0.722647 F\n0.218862 0.458806 0.722647 F\n0.873732 0.449185 0.734167 F\n0.550815 0.424547 0.734167 F\n0.126268 0.575453 0.265833 F\n0.904085 0.114344 0.778921 F\n0.449185 0.873731 0.265833 F\n0.210259 0.095915 0.778921 F\n0.781138 0.239943 0.277354 F\n0.885656 0.789741 0.778921 F\n0.789741 0.885655 0.221080 F\n0.114345 0.904085 0.221080 F\n0.095915 0.210259 0.221080 F\n0.424547 0.550815 0.265833 F\n0.458806 0.218862 0.277354 F\n",
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{
"id": "jvasp-116590",
"created_at": "2022-09-04T14:38:42.293935Z",
"updated_at": "2022-09-04T14:38:42.293961Z",
"structure_string": "Sr2 Li2 Cr2 F12\n1.0\n5.182048 -0.000000 0.000000\n-2.591024 4.487785 0.000000\n-0.000000 -0.000000 10.421408\nSr Li Cr F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.750000 Li\n0.666667 0.333334 0.250000 Li\n0.666667 0.333334 0.750000 Cr\n0.333334 0.666667 0.250000 Cr\n0.015061 0.639870 0.145092 F\n0.624810 0.639870 0.354908 F\n0.984941 0.360132 0.854908 F\n0.375192 0.360132 0.645092 F\n0.360132 0.375192 0.145092 F\n0.984941 0.624809 0.645092 F\n0.639870 0.624809 0.854908 F\n0.375192 0.015060 0.854908 F\n0.360133 0.984941 0.354908 F\n0.639869 0.015060 0.645092 F\n0.015061 0.375192 0.354908 F\n0.624810 0.984941 0.145092 F\n",
"nsites": 18,
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"formula_full": "Sr2 Li2 Cr2 F12",
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},
{
"id": "jvasp-34490",
"created_at": "2022-09-04T14:37:19.866707Z",
"updated_at": "2022-09-04T14:37:19.866733Z",
"structure_string": "Li2 Ca2 Co2 F12\n1.0\n2.518320 -4.361858 -0.000000\n2.518320 4.361858 -0.000000\n0.000000 -0.000000 9.754874\nLi Ca Co F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.371084 0.021583 0.641292 F\n0.978417 0.349501 0.641292 F\n0.371084 0.349501 0.858707 F\n0.628916 0.978417 0.358707 F\n0.978417 0.628916 0.858707 F\n0.628916 0.650499 0.141292 F\n0.021583 0.371084 0.141292 F\n0.349501 0.371084 0.358707 F\n0.021583 0.650499 0.358707 F\n0.650499 0.628916 0.641292 F\n0.349501 0.978417 0.141292 F\n0.650499 0.021583 0.858707 F\n",
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{
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"structure_string": "Li2 Ca2 Cr2 F12\n1.0\n2.558332 -4.431162 0.000000\n2.558332 4.431162 0.000000\n0.000000 0.000000 9.811685\nLi Ca Cr F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n0.363786 0.014030 0.139798 F\n0.014030 0.363786 0.639798 F\n0.650244 0.014030 0.360202 F\n0.636213 0.985969 0.860202 F\n0.985969 0.636213 0.360202 F\n0.349756 0.985969 0.639798 F\n0.014030 0.650244 0.860202 F\n0.636213 0.650243 0.639798 F\n0.985969 0.349756 0.139798 F\n0.650243 0.636213 0.139798 F\n0.363786 0.349756 0.360202 F\n0.349756 0.363786 0.860202 F\n",
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{
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"created_at": "2022-09-04T14:37:07.937548Z",
"updated_at": "2022-09-04T14:37:07.937576Z",
"structure_string": "H6 C1 N1 F1\n1.0\n3.979804 -0.017716 3.237012\n1.529381 3.674254 3.237012\n-0.026692 -0.017716 5.129948\nH C N F\n6 1 1 1\ndirect\n0.225813 0.615187 0.225813 H\n0.615188 0.225811 0.225813 H\n0.656634 0.656632 0.253236 H\n0.225813 0.225811 0.615189 H\n0.253236 0.656632 0.656635 H\n0.656634 0.253233 0.656635 H\n0.493964 0.493962 0.493965 C\n0.382532 0.382530 0.382532 N\n0.991654 0.991650 0.991654 F\n",
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},
{
"id": "jvasp-119065",
"created_at": "2022-09-04T14:38:50.943247Z",
"updated_at": "2022-09-04T14:38:50.943278Z",
"structure_string": "K2 Mn2 I2 O12\n1.0\n5.083506 -0.000000 0.000000\n-2.541753 4.402446 0.000000\n-0.000000 -0.000000 11.838412\nK Mn I O\n2 2 2 12\ndirect\n0.666668 0.333334 0.250000 K\n0.666668 0.333334 0.750000 K\n0.333334 0.666667 0.500000 Mn\n0.333334 0.666667 -0.000000 Mn\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.664979 0.952148 0.590897 O\n0.664979 0.952148 0.090897 O\n0.664979 0.712831 0.909103 O\n0.664979 0.712831 0.409103 O\n0.287171 0.335023 0.590897 O\n0.287171 0.952148 0.409103 O\n0.287171 0.952148 0.909103 O\n0.047853 0.712831 0.090897 O\n0.047853 0.335023 0.909103 O\n0.047853 0.335023 0.409103 O\n0.287171 0.335023 0.090897 O\n0.047853 0.712831 0.590897 O\n",
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]
}