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{
"id": "jvasp-107884",
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{
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{
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"structure_string": "Zn1 Ga1 As1\n1.0\n0.000000 3.144961 3.144961\n3.144961 0.000000 3.144961\n3.144961 3.144961 0.000000\nZn Ga As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 As\n",
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{
"id": "jvasp-91444",
"created_at": "2022-09-04T14:35:58.581054Z",
"updated_at": "2022-09-04T14:35:58.581084Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.458251 -0.000233 -0.001605\n-3.229324 5.593434 0.005504\n-0.002600 0.008822 10.512830\nZn Ga N O\n4 12 12 4\ndirect\n0.837609 0.660923 0.746428 Zn\n0.659985 0.322276 0.996123 Zn\n0.666166 0.832387 0.495103 Zn\n0.322893 0.161752 0.243261 Zn\n0.175034 0.839953 0.001843 Ga\n0.841633 0.165722 0.252014 Ga\n0.330332 0.664168 0.250392 Ga\n0.678315 0.337914 0.502186 Ga\n0.840736 0.675149 0.252157 Ga\n0.162178 0.820922 0.501990 Ga\n0.664305 0.840190 0.000631 Ga\n0.165424 0.331356 0.000334 Ga\n0.332705 0.164690 0.750203 Ga\n0.325292 0.664857 0.750518 Ga\n0.835041 0.173807 0.752214 Ga\n0.161307 0.340154 0.500307 Ga\n0.163350 0.339120 0.185798 N\n0.666270 0.832962 0.187443 N\n0.333292 0.666243 0.936686 N\n0.323111 0.162765 0.936311 N\n0.166998 0.333193 0.686587 N\n0.163058 0.823692 0.185791 N\n0.327444 0.663360 0.436152 N\n0.836708 0.172737 0.436282 N\n0.838562 0.163045 0.936149 N\n0.175520 0.838553 0.685949 N\n0.660162 0.322881 0.686560 N\n0.836947 0.662635 0.436842 N\n0.677885 0.339322 0.195254 O\n0.333578 0.167329 0.445823 O\n0.660618 0.837888 0.697120 O\n0.837541 0.678051 0.945531 O\n",
"nsites": 32,
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"formula_full": "Zn4 Ga12 N12 O4",
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{
"id": "jvasp-39538",
"created_at": "2022-09-04T14:37:49.068136Z",
"updated_at": "2022-09-04T14:37:49.068168Z",
"structure_string": "Zn1 Ga3\n1.0\n4.179594 -0.000000 0.000000\n-0.000000 4.179594 -0.000000\n0.000000 -0.000000 4.179594\nZn Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499999 0.499999 Ga\n0.499999 0.000000 0.499999 Ga\n0.499999 0.499999 0.000000 Ga\n",
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{
"id": "jvasp-17828",
"created_at": "2022-09-04T14:38:13.708753Z",
"updated_at": "2022-09-04T14:38:13.708772Z",
"structure_string": "Zn1 Fe1 Sb1\n1.0\n3.809327 -0.000000 2.199316\n1.269775 3.591467 2.199316\n0.000000 0.000000 4.398631\nZn Fe Sb\n1 1 1\ndirect\n0.750001 0.750001 0.750000 Zn\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-11093",
"created_at": "2022-09-04T14:38:16.496681Z",
"updated_at": "2022-09-04T14:38:16.496705Z",
"structure_string": "Zn1 Fe4 S8\n1.0\n6.698498 0.052866 0.037381\n3.395031 5.880366 0.000000\n3.395031 1.960122 5.544063\nZn Fe S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500001 -0.000000 Fe\n0.500000 0.500001 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.261888 0.257896 0.257895 S\n0.261888 0.257896 0.722321 S\n0.261887 0.722322 0.257895 S\n0.728076 0.257309 0.257307 S\n0.271924 0.742693 0.742692 S\n0.738112 0.742106 0.277678 S\n0.738112 0.277679 0.742104 S\n0.738112 0.742106 0.742104 S\n",
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"volume": 216.88595950761436,
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"formula_full": "Zn1 Fe4 S8",
"formula_reduced": "Zn(FeS2)4",
"formula_anonymous": "AB4C8",
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"spacegroup": 166
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{
"id": "jvasp-58503",
"created_at": "2022-09-04T14:36:32.917156Z",
"updated_at": "2022-09-04T14:36:32.917170Z",
"structure_string": "Zn1 Fe4 S8\n1.0\n5.727460 -0.094263 4.219156\n2.080288 5.337143 4.219156\n-0.140376 -0.094263 7.112340\nZn Fe S\n1 4 8\ndirect\n0.500000 0.500001 0.500000 Zn\n0.500001 0.999999 0.500002 Fe\n0.999999 0.500001 0.500002 Fe\n0.500000 0.500000 0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.758132 0.267286 0.758133 S\n0.241866 0.241868 0.732715 S\n0.241867 0.732715 0.241867 S\n0.732713 0.241868 0.241868 S\n0.261165 0.261167 0.261166 S\n0.738834 0.738835 0.738835 S\n0.267286 0.758134 0.758133 S\n0.758133 0.758134 0.267287 S\n",
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"volume": 223.47400682123373,
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"formula_full": "Zn1 Fe4 S8",
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{
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"created_at": "2022-09-04T14:36:59.519674Z",
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"structure_string": "Zn2 Fe4 S8\n1.0\n6.056659 -0.000000 -3.179823\n-1.669447 5.822034 -3.179823\n-0.279618 -0.371066 6.825425\nZn Fe S\n2 4 8\ndirect\n0.374999 0.624999 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.763810 0.791350 0.527620 S\n0.763730 0.236189 0.972381 S\n0.208649 0.236189 0.972381 S\n0.236189 0.208649 0.472381 S\n0.236189 0.763730 0.472380 S\n0.236268 0.763810 0.027620 S\n0.763810 0.236269 0.527620 S\n0.791350 0.763810 0.027620 S\n",
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{
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"structure_string": "Zn1 Fe1 Rh2\n1.0\n0.000008 3.005307 3.005308\n3.005315 0.000004 3.005313\n3.005317 3.005312 0.000002\nZn Fe Rh\n1 1 2\ndirect\n0.749997 0.750000 0.750000 Zn\n0.249998 0.250000 0.249999 Fe\n0.499999 0.500001 0.500000 Rh\n-0.000002 1.000000 0.000001 Rh\n",
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{
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"structure_string": "Zn2 Fe2 P2 O10\n1.0\n5.148941 -0.239037 -0.151130\n-0.907486 5.501986 0.131297\n-2.047597 -2.154808 6.287172\nZn Fe P O\n2 2 2 10\ndirect\n0.274505 0.164772 0.785523 Zn\n0.733990 0.825066 0.243622 Zn\n0.004259 0.494905 0.514549 Fe\n0.004244 0.494931 0.014549 Fe\n0.669418 0.846638 0.748590 P\n0.339079 0.143207 0.280515 P\n0.742659 0.720458 0.926216 O\n0.906207 0.864188 0.651088 O\n0.265833 0.269410 0.102902 O\n0.102282 0.125660 0.378013 O\n0.627841 0.290396 0.463865 O\n0.353953 0.865196 0.179562 O\n0.380661 0.699434 0.565239 O\n0.654541 0.124652 0.849532 O\n0.885470 0.536058 0.251994 O\n0.123031 0.453777 0.777110 O\n",
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{
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"structure_string": "Zn1 Fe1 Pb1\n1.0\n-0.000000 3.196208 3.196208\n3.196208 0.000000 3.196208\n3.196208 3.196208 0.000000\nZn Fe Pb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Pb\n",
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