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{
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{
"id": "mp-1209601",
"created_at": "2022-09-04T14:40:58.710811Z",
"structure_string": "Pt2 C4 N4 O8\n1.0\n10.613198 0.000000 0.000000\n0.000000 3.792092 0.000000\n0.000000 0.290267 6.580572\nPt C N O\n2 4 4 8\ndirect\n0.250000 0.630793 0.862406 Pt\n0.750000 0.369207 0.137594 Pt\n0.323282 0.897646 0.256458 C\n0.676718 0.102354 0.743542 C\n0.823282 0.102354 0.743542 C\n0.176718 0.897646 0.256458 C\n0.886063 0.470522 0.283353 N\n0.113937 0.529478 0.716647 N\n0.386063 0.529478 0.716647 N\n0.613937 0.470522 0.283353 N\n0.374207 0.786130 0.089196 O\n0.625793 0.213870 0.910804 O\n0.874207 0.213870 0.910804 O\n0.125793 0.786130 0.089196 O\n0.383795 0.005094 0.399740 O\n0.616205 0.994906 0.600260 O\n0.883795 0.994906 0.600260 O\n0.116205 0.005094 0.399740 O\n",
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{
"id": "mp-1194202",
"created_at": "2022-09-04T14:40:34.035053Z",
"structure_string": "Ba2 Ho2 Fe8 O14\n1.0\n9.349995 0.000000 0.000000\n0.000000 6.289088 0.000000\n0.000000 0.184548 6.405792\nBa Ho Fe O\n2 2 8 14\ndirect\n0.002562 0.760208 0.732540 Ba\n0.502562 0.239792 0.267460 Ba\n0.752597 0.254600 0.749337 Ho\n0.252597 0.745400 0.250663 Ho\n0.368447 0.004496 0.732405 Fe\n0.868447 0.995504 0.267595 Fe\n0.126142 0.271323 0.500648 Fe\n0.626142 0.728677 0.499352 Fe\n0.121422 0.230734 0.993696 Fe\n0.621422 0.769266 0.006304 Fe\n0.357867 0.477935 0.782097 Fe\n0.857867 0.522065 0.217903 Fe\n0.991092 0.236075 0.749222 O\n0.491092 0.763925 0.250778 O\n0.501513 0.238765 0.741351 O\n0.001513 0.761235 0.258649 O\n0.226872 0.545267 0.545790 O\n0.726872 0.454733 0.454210 O\n0.231822 0.950208 0.950604 O\n0.731822 0.049792 0.049396 O\n0.276303 0.443776 0.063687 O\n0.776303 0.556224 0.936313 O\n0.274741 0.032630 0.464536 O\n0.774741 0.967370 0.535464 O\n0.489620 0.754481 0.746097 O\n0.989620 0.245519 0.253903 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 5.6218347705724945,
"density_atomic": 0.0690242132159234,
"volume": 376.6794113055096,
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"formula_full": "Ba2 Ho2 Fe8 O14",
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"energy": -208.28889638,
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"spacegroup": 4
},
{
"id": "mp-1205186",
"created_at": "2022-09-04T14:40:20.666577Z",
"structure_string": "Li8 Fe8 P8 O32 F4\n1.0\n5.110995 0.000000 0.000000\n0.000000 10.948794 0.000000\n0.000000 0.000000 13.139093\nLi Fe P O F\n8 8 8 32 4\ndirect\n0.282605 0.331285 0.750802 Li\n0.217395 0.831285 0.749198 Li\n0.782605 0.668715 0.749198 Li\n0.717395 0.168715 0.750802 Li\n0.717395 0.668715 0.249198 Li\n0.782605 0.168715 0.250802 Li\n0.217395 0.331285 0.250802 Li\n0.282605 0.831285 0.249198 Li\n0.185042 0.337645 0.989027 Fe\n0.314958 0.837645 0.510973 Fe\n0.685042 0.662355 0.510973 Fe\n0.814958 0.162355 0.989027 Fe\n0.814958 0.662355 0.010973 Fe\n0.685042 0.162355 0.489027 Fe\n0.314958 0.337645 0.489027 Fe\n0.185042 0.837645 0.010973 Fe\n0.183702 0.091838 0.625594 P\n0.316298 0.591838 0.874406 P\n0.683702 0.908162 0.874406 P\n0.816298 0.408162 0.625594 P\n0.816298 0.908162 0.374406 P\n0.683702 0.408162 0.125594 P\n0.316298 0.091838 0.125594 P\n0.183702 0.591838 0.374406 P\n0.223732 0.951382 0.620133 O\n0.276268 0.451382 0.879867 O\n0.723732 0.048618 0.879867 O\n0.776268 0.548618 0.620133 O\n0.776268 0.048618 0.379867 O\n0.723732 0.548618 0.120133 O\n0.276268 0.951382 0.120133 O\n0.223732 0.451382 0.379867 O\n0.313492 0.147143 0.718082 O\n0.186508 0.647143 0.781918 O\n0.813492 0.852857 0.781918 O\n0.686508 0.352857 0.718082 O\n0.686508 0.852857 0.281918 O\n0.813492 0.352857 0.218082 O\n0.186508 0.147143 0.218082 O\n0.313492 0.647143 0.281918 O\n0.884213 0.120019 0.615964 O\n0.615787 0.620019 0.884036 O\n0.384213 0.879981 0.884036 O\n0.115787 0.379981 0.615964 O\n0.115787 0.879981 0.384036 O\n0.384213 0.379981 0.115964 O\n0.615787 0.120019 0.115964 O\n0.884213 0.620019 0.384036 O\n0.304556 0.149569 0.524524 O\n0.195444 0.649569 0.975476 O\n0.804556 0.850431 0.975476 O\n0.695444 0.350431 0.524524 O\n0.695444 0.850431 0.475476 O\n0.804556 0.350431 0.024524 O\n0.195444 0.149569 0.024524 O\n0.304556 0.649569 0.475476 O\n0.000000 0.250000 0.867887 F\n0.500000 0.750000 0.632113 F\n0.000000 0.750000 0.132113 F\n0.500000 0.250000 0.367887 F\n",
"nsites": 60,
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"density_atomic": 0.08160450278947072,
"volume": 735.2535454421235,
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"formula_full": "Li8 Fe8 P8 O32 F4",
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"energy": -437.30016952,
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"updated_at": "2021-11-28T01:34:57.926000Z",
"spacegroup": 60
},
{
"id": "mp-1218209",
"created_at": "2022-09-04T14:40:53.605897Z",
"structure_string": "Sr1 Mn1 Fe1 Bi1 O6\n1.0\n4.679921 -2.747807 0.000000\n4.679921 2.747807 0.000000\n3.066551 0.000000 4.477540\nSr Mn Fe Bi O\n1 1 1 1 6\ndirect\n0.249455 0.249455 0.249455 Sr\n0.999237 0.999237 0.999237 Mn\n0.499876 0.499876 0.499876 Fe\n0.751231 0.751231 0.751231 Bi\n0.801681 0.704822 0.245346 O\n0.245346 0.801681 0.704822 O\n0.704822 0.245346 0.801681 O\n0.754635 0.180453 0.313264 O\n0.313264 0.754635 0.180453 O\n0.180453 0.313264 0.754635 O\n",
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"density": 7.258563870240954,
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"volume": 115.15802752505157,
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"formula_full": "Sr1 Mn1 Fe1 Bi1 O6",
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"formula_anonymous": "ABCDE6",
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{
"id": "mp-1193931",
"created_at": "2022-09-04T14:40:54.558358Z",
"structure_string": "K12 Fe4 S12\n1.0\n12.597096 0.000000 0.000000\n0.000000 7.760845 0.000000\n0.000000 6.115306 7.955685\nK Fe S\n12 4 12\ndirect\n0.919539 0.651674 0.605530 K\n0.419539 0.348326 0.894470 K\n0.080461 0.348326 0.394470 K\n0.580461 0.651674 0.105530 K\n0.631132 0.612046 0.523649 K\n0.131132 0.387954 0.976351 K\n0.368868 0.387954 0.476351 K\n0.868868 0.612046 0.023649 K\n0.810395 0.133604 0.577375 K\n0.310395 0.866396 0.922625 K\n0.189605 0.866396 0.422625 K\n0.689605 0.133604 0.077375 K\n0.555509 0.939986 0.651224 Fe\n0.055509 0.060014 0.848776 Fe\n0.444491 0.060014 0.348776 Fe\n0.944491 0.939986 0.151224 Fe\n0.109462 0.850334 0.121570 S\n0.609462 0.149666 0.378430 S\n0.890538 0.149666 0.878430 S\n0.390538 0.850334 0.621570 S\n0.045337 0.876630 0.742511 S\n0.545337 0.123370 0.757489 S\n0.954663 0.123370 0.257489 S\n0.454663 0.876630 0.242511 S\n0.669534 0.657115 0.805029 S\n0.169534 0.342885 0.694971 S\n0.330466 0.342885 0.194971 S\n0.830466 0.657115 0.305029 S\n",
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{
"id": "mp-637982",
"created_at": "2022-09-04T14:40:32.280922Z",
"structure_string": "As20 Pb12 S40\n1.0\n8.171794 0.000000 0.000000\n0.000000 8.740024 0.000000\n0.000000 6.415860 25.674559\nAs Pb S\n20 12 40\ndirect\n0.337591 0.289646 0.047274 As\n0.662409 0.710354 0.952726 As\n0.162409 0.289646 0.547274 As\n0.805364 0.142041 0.432513 As\n0.156950 0.252934 0.351761 As\n0.991842 0.389013 0.952186 As\n0.508158 0.389013 0.452186 As\n0.491842 0.610987 0.547814 As\n0.649403 0.308416 0.160637 As\n0.850597 0.308416 0.660637 As\n0.843050 0.747066 0.648239 As\n0.694636 0.142041 0.932513 As\n0.194636 0.857959 0.567487 As\n0.343050 0.252934 0.851761 As\n0.305364 0.857959 0.067487 As\n0.008158 0.610987 0.047814 As\n0.837591 0.710354 0.452726 As\n0.149403 0.691584 0.339363 As\n0.350597 0.691584 0.839363 As\n0.656950 0.747066 0.148239 As\n0.726393 0.984481 0.801318 Pb\n0.762821 0.475000 0.290812 Pb\n0.413285 0.902325 0.420820 Pb\n0.913285 0.097675 0.079180 Pb\n0.262821 0.525000 0.209188 Pb\n0.237179 0.525000 0.709188 Pb\n0.086715 0.902325 0.920820 Pb\n0.737179 0.475000 0.790812 Pb\n0.273607 0.015519 0.198682 Pb\n0.226393 0.015519 0.698682 Pb\n0.773607 0.984481 0.301318 Pb\n0.586715 0.097675 0.579180 Pb\n0.315031 0.482846 0.324713 S\n0.019154 0.054382 0.588545 S\n0.497078 0.737702 0.764607 S\n0.829522 0.823012 0.006586 S\n0.012919 0.257768 0.278152 S\n0.329522 0.176988 0.493414 S\n0.655755 0.708337 0.388765 S\n0.029728 0.638058 0.601505 S\n0.683609 0.407408 0.514441 S\n0.824358 0.107585 0.182784 S\n0.624655 0.164361 0.366383 S\n0.170478 0.176988 0.993414 S\n0.184969 0.482846 0.824713 S\n0.002922 0.737702 0.264607 S\n0.324358 0.892415 0.317216 S\n0.815031 0.517154 0.175287 S\n0.480846 0.054382 0.088545 S\n0.183609 0.592592 0.985559 S\n0.675642 0.107585 0.682784 S\n0.980846 0.945618 0.411455 S\n0.175642 0.892415 0.817216 S\n0.512919 0.742232 0.221848 S\n0.316391 0.592592 0.485559 S\n0.844245 0.708337 0.888765 S\n0.470272 0.638058 0.101505 S\n0.997078 0.262298 0.735393 S\n0.344245 0.291663 0.611235 S\n0.529728 0.361942 0.898495 S\n0.875345 0.164361 0.866383 S\n0.670478 0.823012 0.506586 S\n0.502922 0.262298 0.235393 S\n0.375345 0.835639 0.633617 S\n0.124655 0.835639 0.133617 S\n0.155755 0.291663 0.111235 S\n0.970272 0.361942 0.398495 S\n0.987081 0.742232 0.721848 S\n0.684969 0.517154 0.675287 S\n0.519154 0.945618 0.911455 S\n0.816391 0.407408 0.014441 S\n0.487081 0.257768 0.778152 S\n",
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{
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{
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"structure_string": "Fe6 O4 F8\n1.0\n4.811729 0.000000 0.000000\n0.000000 5.749453 0.000000\n0.000000 0.475780 7.903310\nFe O F\n6 4 8\ndirect\n0.485276 0.219765 0.001595 Fe\n0.491434 0.568439 0.645284 Fe\n0.526079 0.905557 0.325188 Fe\n0.985276 0.780235 0.998405 Fe\n0.991434 0.431561 0.354716 Fe\n0.026079 0.094443 0.674812 Fe\n0.202148 0.036292 0.907678 O\n0.199168 0.388871 0.560731 O\n0.702148 0.963708 0.092322 O\n0.699168 0.611129 0.439269 O\n0.186399 0.711283 0.227035 F\n0.306823 0.872380 0.568287 F\n0.307993 0.541972 0.900137 F\n0.294681 0.231639 0.229529 F\n0.686399 0.288717 0.772965 F\n0.806823 0.127620 0.431713 F\n0.807993 0.458028 0.099863 F\n0.794681 0.768361 0.770471 F\n",
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{
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