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{
"id": "mp-766458",
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{
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{
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"structure_string": "Zn4 Ag8 P8 S24\n1.0\n5.476147 3.172379 0.000000\n-5.476147 3.172379 0.000000\n0.000000 2.951844 27.254928\nZn Ag P S\n4 8 8 24\ndirect\n0.817657 0.954050 0.125940 Zn\n0.182343 0.045950 0.874060 Zn\n0.045950 0.182343 0.374060 Zn\n0.954050 0.817657 0.625940 Zn\n0.532449 0.747984 0.812956 Ag\n0.467551 0.252016 0.187044 Ag\n0.252016 0.467551 0.687044 Ag\n0.747984 0.532449 0.312956 Ag\n0.518279 0.697212 0.940025 Ag\n0.481721 0.302788 0.059975 Ag\n0.302788 0.481721 0.559975 Ag\n0.697212 0.518279 0.440025 Ag\n0.590704 0.134101 0.666565 P\n0.409296 0.865899 0.333435 P\n0.865899 0.409296 0.833435 P\n0.134101 0.590704 0.166565 P\n0.624858 0.144628 0.583078 P\n0.375142 0.855372 0.416922 P\n0.855372 0.375142 0.916922 P\n0.144628 0.624858 0.083078 P\n0.514890 0.301470 0.942822 S\n0.485110 0.698530 0.057178 S\n0.698530 0.485110 0.557178 S\n0.301470 0.514890 0.442822 S\n0.908706 0.085234 0.563364 S\n0.091294 0.914766 0.436636 S\n0.914766 0.091294 0.936636 S\n0.085234 0.908706 0.063364 S\n0.642651 0.855551 0.692430 S\n0.357349 0.144449 0.307570 S\n0.144449 0.357349 0.807570 S\n0.855551 0.642651 0.192430 S\n0.246480 0.072471 0.687015 S\n0.753520 0.927529 0.312985 S\n0.927529 0.753520 0.812985 S\n0.072471 0.246480 0.187015 S\n0.296515 0.870286 0.564441 S\n0.703485 0.129714 0.435559 S\n0.129714 0.703485 0.935559 S\n0.870286 0.296515 0.064441 S\n0.533149 0.141931 0.814214 S\n0.466851 0.858069 0.185786 S\n0.858069 0.466851 0.685786 S\n0.141931 0.533149 0.314214 S\n",
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{
"id": "mp-1194914",
"created_at": "2022-09-04T14:44:20.603973Z",
"structure_string": "Ba14 V12 Co2 Cl8 O42\n1.0\n5.382244 -8.516678 0.000000\n5.382244 8.516678 0.000000\n0.000000 0.000000 15.033496\nBa V Co Cl O\n14 12 2 8 42\ndirect\n0.544765 0.846762 0.250000 Ba\n0.153238 0.455235 0.750000 Ba\n0.455235 0.153238 0.750000 Ba\n0.846762 0.544765 0.250000 Ba\n0.545420 0.836822 0.960482 Ba\n0.163178 0.454580 0.039518 Ba\n0.545420 0.836822 0.539518 Ba\n0.163178 0.454580 0.460482 Ba\n0.454580 0.163178 0.039518 Ba\n0.836822 0.545420 0.960482 Ba\n0.454580 0.163178 0.460482 Ba\n0.836822 0.545420 0.539518 Ba\n0.865937 0.865937 0.750000 Ba\n0.134063 0.134063 0.250000 Ba\n0.492639 0.492639 0.137536 V\n0.507361 0.507361 0.862464 V\n0.492639 0.492639 0.362464 V\n0.507361 0.507361 0.637536 V\n0.825737 0.168203 0.868570 V\n0.831797 0.174263 0.131430 V\n0.825737 0.168203 0.631430 V\n0.831797 0.174263 0.368570 V\n0.174263 0.831797 0.131430 V\n0.168203 0.825737 0.868570 V\n0.174263 0.831797 0.368570 V\n0.168203 0.825737 0.631430 V\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.816702 0.816702 0.110810 Cl\n0.183298 0.183298 0.889190 Cl\n0.816702 0.816702 0.389190 Cl\n0.183298 0.183298 0.610810 Cl\n0.509514 0.841148 0.750000 Cl\n0.158852 0.490486 0.250000 Cl\n0.490486 0.158852 0.250000 Cl\n0.841148 0.509514 0.750000 Cl\n0.558156 0.558156 0.250000 O\n0.441844 0.441844 0.750000 O\n0.333281 0.333281 0.126790 O\n0.666719 0.666719 0.873210 O\n0.333281 0.333281 0.373210 O\n0.666719 0.666719 0.626790 O\n0.945694 0.332606 0.911998 O\n0.667394 0.054306 0.088002 O\n0.945694 0.332606 0.588002 O\n0.667394 0.054306 0.411998 O\n0.054306 0.667394 0.088002 O\n0.332606 0.945694 0.911998 O\n0.054306 0.667394 0.411998 O\n0.332606 0.945694 0.588002 O\n0.874806 0.167761 0.750000 O\n0.832239 0.125194 0.250000 O\n0.125194 0.832239 0.250000 O\n0.167761 0.874806 0.750000 O\n0.837623 0.014056 0.914809 O\n0.985944 0.162377 0.085191 O\n0.837623 0.014056 0.585191 O\n0.985944 0.162377 0.414809 O\n0.162377 0.985944 0.085191 O\n0.014056 0.837623 0.914809 O\n0.162377 0.985944 0.414809 O\n0.014056 0.837623 0.585191 O\n0.650204 0.145083 0.884015 O\n0.854917 0.349796 0.115985 O\n0.650204 0.145083 0.615985 O\n0.854917 0.349796 0.384015 O\n0.349796 0.854917 0.115985 O\n0.145083 0.650204 0.884015 O\n0.349796 0.854917 0.384015 O\n0.145083 0.650204 0.615985 O\n0.460196 0.630453 0.091050 O\n0.369547 0.539804 0.908950 O\n0.460196 0.630453 0.408950 O\n0.369547 0.539804 0.591050 O\n0.539804 0.369547 0.908950 O\n0.630453 0.460196 0.091050 O\n0.539804 0.369547 0.591050 O\n0.630453 0.460196 0.408950 O\n",
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{
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"structure_string": "Sn2 S4\n1.0\n-2.996321 2.996321 4.986370\n2.996321 -2.996321 4.986370\n2.996321 2.996321 -4.986370\nSn S\n2 4\ndirect\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.875000 0.882066 0.507066 S\n0.117934 0.625000 0.992934 S\n0.375000 0.367934 0.492934 S\n0.632066 0.125000 0.007066 S\n",
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{
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"structure_string": "La4 Mg2 Se8\n1.0\n-4.412531 4.412531 4.684417\n4.412531 -4.412531 4.684417\n4.412531 4.412531 -4.684417\nLa Mg Se\n4 2 8\ndirect\n0.875000 0.757675 0.382675 La\n0.507675 0.125000 0.882675 La\n0.375000 0.492325 0.617325 La\n0.242325 0.625000 0.117325 La\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.506335 0.375325 0.267676 Se\n0.761341 0.493665 0.868990 Se\n0.107649 0.238659 0.732324 Se\n0.624675 0.892351 0.131010 Se\n0.243665 0.011341 0.368990 Se\n0.988659 0.357649 0.232324 Se\n0.642351 0.874675 0.631010 Se\n0.125325 0.756335 0.767676 Se\n",
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{
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"structure_string": "Fe6 B2 O10\n1.0\n3.104292 0.000000 0.000000\n0.000000 5.587819 0.000000\n0.000000 0.631312 10.778812\nFe B O\n6 2 10\ndirect\n0.500000 0.719922 0.227351 Fe\n0.500000 0.280078 0.772649 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.785494 0.742340 B\n0.000000 0.214506 0.257660 B\n0.000000 0.204805 0.387072 O\n0.500000 0.321464 0.587673 O\n0.000000 0.795195 0.612928 O\n0.500000 0.678536 0.412327 O\n0.000000 0.996493 0.803448 O\n0.000000 0.003507 0.196552 O\n0.500000 0.267135 0.968433 O\n0.000000 0.563704 0.807953 O\n0.000000 0.436296 0.192047 O\n0.500000 0.732865 0.031567 O\n",
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{
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"structure_string": "Mg8 Sn2 N8\n1.0\n5.586503 -0.002537 -0.171005\n2.077730 5.235019 0.076655\n1.292667 2.467468 8.003183\nMg Sn N\n8 2 8\ndirect\n0.723522 0.614688 0.217759 Mg\n0.276477 0.385312 0.782241 Mg\n0.752139 0.244961 0.998924 Mg\n0.247861 0.755039 0.001076 Mg\n0.736193 0.486749 0.573334 Mg\n0.263807 0.513251 0.426666 Mg\n0.259760 0.929126 0.580223 Mg\n0.740240 0.070874 0.419777 Mg\n0.729344 0.833630 0.783712 Sn\n0.270656 0.166370 0.216288 Sn\n0.996270 0.697121 0.602184 N\n0.003730 0.302879 0.397816 N\n0.846422 0.841427 0.999631 N\n0.153578 0.158573 0.000369 N\n0.495696 0.605667 0.804016 N\n0.504304 0.394333 0.195984 N\n0.490020 0.801697 0.384626 N\n0.509980 0.198303 0.615374 N\n",
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}