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{
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"results": [
{
"id": "mp-1335638",
"created_at": "2022-09-04T14:40:19.654037Z",
"structure_string": "Sr2 Ca2 Sn2 P4 O16\n1.0\n5.718340 0.000000 0.000000\n-0.809092 6.878543 0.000000\n-1.895279 -3.551554 9.557221\nSr Ca Sn P O\n2 2 2 4 16\ndirect\n0.263837 0.743431 0.045252 Sr\n0.736163 0.256569 0.954748 Sr\n0.034861 0.755410 0.666369 Ca\n0.965139 0.244590 0.333631 Ca\n0.634164 0.244981 0.591272 Sn\n0.365836 0.755019 0.408728 Sn\n0.356763 0.194881 0.203411 P\n0.643237 0.805119 0.796589 P\n0.816731 0.752132 0.274179 P\n0.183269 0.247868 0.725821 P\n0.861877 0.663912 0.882547 O\n0.596975 0.288778 0.163827 O\n0.693154 0.024561 0.810900 O\n0.977656 0.400473 0.702148 O\n0.403025 0.711222 0.836173 O\n0.088493 0.132099 0.614557 O\n0.911507 0.867901 0.385443 O\n0.239128 0.103655 0.877237 O\n0.306846 0.975439 0.189100 O\n0.760872 0.896345 0.122763 O\n0.138123 0.336088 0.117453 O\n0.365657 0.155459 0.360936 O\n0.634343 0.844541 0.639064 O\n0.585003 0.619278 0.305798 O\n0.022344 0.599527 0.297852 O\n0.414997 0.380722 0.694202 O\n",
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"formula_full": "Sr2 Ca2 Sn2 P4 O16",
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"spacegroup": 2
},
{
"id": "mp-7260",
"created_at": "2022-09-04T14:40:19.654975Z",
"structure_string": "P8 S10\n1.0\n12.257145 0.000000 0.000000\n0.000000 6.792241 0.000000\n0.000000 3.271570 6.372273\nP S\n8 10\ndirect\n0.750000 0.289027 0.641219 P\n0.250000 0.710973 0.358781 P\n0.750000 0.855620 0.228118 P\n0.250000 0.144380 0.771882 P\n0.845371 0.427959 0.153286 P\n0.345371 0.572041 0.846714 P\n0.154629 0.572041 0.846714 P\n0.654629 0.427959 0.153286 P\n0.750000 0.634550 0.557678 S\n0.250000 0.365450 0.442322 S\n0.880234 0.758858 0.090933 S\n0.380234 0.241142 0.909067 S\n0.119766 0.241142 0.909067 S\n0.619766 0.758858 0.090933 S\n0.880225 0.230753 0.476049 S\n0.380225 0.769247 0.523951 S\n0.119775 0.769247 0.523951 S\n0.619775 0.230753 0.476049 S\n",
"nsites": 18,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-S",
"density": 1.7792501754197054,
"density_atomic": 0.033929364147463295,
"volume": 530.5139206785211,
"volume_molar": 17.74905280814183,
"formula_full": "P8 S10",
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"energy": -92.38347293,
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"spacegroup": 11
},
{
"id": "mp-759401",
"created_at": "2022-09-04T14:40:19.664601Z",
"structure_string": "Li16 Fe16 Si16 O64\n1.0\n4.986791 8.880736 0.000000\n-4.986791 8.880736 0.000000\n0.000000 2.501935 16.205980\nLi Fe Si O\n16 16 16 64\ndirect\n0.204765 0.806958 0.003009 Li\n0.806958 0.204765 0.503009 Li\n0.702550 0.576669 0.253035 Li\n0.263807 0.075908 0.251124 Li\n0.139855 0.307192 0.001211 Li\n0.576669 0.702550 0.753035 Li\n0.706283 0.805634 0.003873 Li\n0.075908 0.263807 0.751124 Li\n0.307192 0.139855 0.501211 Li\n0.805634 0.706283 0.503873 Li\n0.204252 0.567325 0.252154 Li\n0.764729 0.083541 0.254195 Li\n0.639866 0.306814 0.002115 Li\n0.567325 0.204252 0.752154 Li\n0.083541 0.764729 0.754195 Li\n0.306814 0.639866 0.502115 Li\n0.878755 0.271720 0.128247 Fe\n0.446276 0.773190 0.128226 Fe\n0.271720 0.878755 0.628247 Fe\n0.773190 0.446276 0.628226 Fe\n0.004291 0.321031 0.377918 Fe\n0.508426 0.881384 0.379296 Fe\n0.321031 0.004291 0.877918 Fe\n0.881384 0.508426 0.879296 Fe\n0.376636 0.275164 0.127250 Fe\n0.947274 0.770822 0.129741 Fe\n0.275164 0.376636 0.627250 Fe\n0.770822 0.947274 0.629741 Fe\n0.008432 0.820909 0.378891 Fe\n0.503706 0.382693 0.379327 Fe\n0.820909 0.008432 0.878891 Fe\n0.382693 0.503706 0.879327 Fe\n0.102057 0.916658 0.190723 Si\n0.916658 0.102057 0.690723 Si\n0.166516 0.980729 0.439923 Si\n0.664518 0.538235 0.441521 Si\n0.980729 0.166516 0.939923 Si\n0.538235 0.664518 0.941521 Si\n0.040774 0.419278 0.188557 Si\n0.603207 0.921011 0.190352 Si\n0.419278 0.040774 0.688557 Si\n0.921011 0.603207 0.690352 Si\n0.164088 0.479804 0.439997 Si\n0.665761 0.039808 0.442102 Si\n0.479804 0.164088 0.939997 Si\n0.039808 0.665761 0.942102 Si\n0.542451 0.421777 0.188664 Si\n0.421777 0.542451 0.688664 Si\n0.671562 0.335228 0.112415 O\n0.950718 0.090058 0.201434 O\n0.522549 0.589539 0.198866 O\n0.418550 0.742533 0.022163 O\n0.335228 0.671562 0.612415 O\n0.505446 0.546245 0.423215 O\n0.985618 0.237965 0.023242 O\n0.258421 0.928101 0.178639 O\n0.090058 0.950718 0.701434 O\n0.001432 0.141105 0.424482 O\n0.589539 0.522549 0.698866 O\n0.742533 0.418550 0.522163 O\n0.546245 0.505446 0.923215 O\n0.793366 0.471013 0.362199 O\n0.295261 0.967775 0.363857 O\n0.876309 0.437796 0.171866 O\n0.237965 0.985618 0.523242 O\n0.928101 0.258421 0.678639 O\n0.141105 0.001432 0.924482 O\n0.625708 0.711901 0.455498 O\n0.592831 0.839154 0.112740 O\n0.108169 0.299240 0.270966 O\n0.605254 0.810545 0.273992 O\n0.471013 0.793366 0.862199 O\n0.967775 0.295261 0.863857 O\n0.437796 0.876309 0.671866 O\n0.169646 0.339196 0.110892 O\n0.448811 0.092880 0.199475 O\n0.131182 0.336978 0.448702 O\n0.711901 0.625708 0.955498 O\n0.839154 0.592831 0.612740 O\n0.299240 0.108169 0.770966 O\n0.810545 0.605254 0.773992 O\n0.021633 0.585961 0.201028 O\n0.920369 0.740027 0.023461 O\n0.339196 0.169646 0.610892 O\n0.508644 0.045830 0.422258 O\n0.482754 0.240207 0.021945 O\n0.759539 0.932346 0.177154 O\n0.092880 0.448811 0.699475 O\n0.336978 0.131182 0.948702 O\n0.001055 0.643022 0.425320 O\n0.585961 0.021633 0.701028 O\n0.740027 0.920369 0.523461 O\n0.045830 0.508644 0.922258 O\n0.291335 0.464213 0.362266 O\n0.799142 0.973987 0.364748 O\n0.240207 0.482754 0.521945 O\n0.379161 0.437341 0.172211 O\n0.932346 0.759539 0.677154 O\n0.643022 0.001055 0.925320 O\n0.623742 0.214625 0.455804 O\n0.090431 0.841082 0.110624 O\n0.103689 0.798059 0.270152 O\n0.608512 0.312822 0.274575 O\n0.464213 0.291335 0.862266 O\n0.973987 0.799142 0.864748 O\n0.437341 0.379161 0.672211 O\n0.214625 0.623742 0.955804 O\n0.137723 0.835179 0.447987 O\n0.841082 0.090431 0.610624 O\n0.798059 0.103689 0.770152 O\n0.312822 0.608512 0.774575 O\n0.835179 0.137723 0.947987 O\n",
"nsites": 112,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.866542819423644,
"density_atomic": 0.07802658536384244,
"volume": 1435.4081942422263,
"volume_molar": 7.718062673021525,
"formula_full": "Li16 Fe16 Si16 O64",
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"energy": -852.31669999,
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"updated_at": "2021-11-28T01:34:51.159000Z",
"spacegroup": 9
},
{
"id": "mp-1200228",
"created_at": "2022-09-04T14:40:19.670005Z",
"structure_string": "Ho12 Mn12 Sn24\n1.0\n9.002406 0.000000 0.000000\n0.000000 10.414849 0.000000\n0.000000 0.000000 11.402562\nHo Mn Sn\n12 12 24\ndirect\n0.242244 0.828593 0.452326 Ho\n0.242244 0.171407 0.547674 Ho\n0.757756 0.328593 0.047674 Ho\n0.757756 0.671407 0.952326 Ho\n0.757756 0.171407 0.547674 Ho\n0.757756 0.828593 0.452326 Ho\n0.242244 0.671407 0.952326 Ho\n0.242244 0.328593 0.047674 Ho\n0.000000 0.836062 0.179247 Ho\n0.000000 0.163938 0.820753 Ho\n0.000000 0.336062 0.320753 Ho\n0.000000 0.663938 0.679247 Ho\n0.248337 0.588645 0.252260 Mn\n0.248337 0.411355 0.747740 Mn\n0.751663 0.088645 0.247740 Mn\n0.751663 0.911355 0.752260 Mn\n0.751663 0.411355 0.747740 Mn\n0.751663 0.588645 0.252260 Mn\n0.248337 0.911355 0.752260 Mn\n0.248337 0.088645 0.247740 Mn\n0.243261 0.500000 0.500000 Mn\n0.756739 0.000000 0.000000 Mn\n0.756739 0.500000 0.500000 Mn\n0.243261 0.000000 0.000000 Mn\n0.338005 0.838086 0.181022 Sn\n0.338005 0.161914 0.818978 Sn\n0.661995 0.338086 0.318978 Sn\n0.661995 0.661914 0.681022 Sn\n0.661995 0.161914 0.818978 Sn\n0.661995 0.838086 0.181022 Sn\n0.338005 0.661914 0.681022 Sn\n0.338005 0.338086 0.318978 Sn\n0.500000 0.543245 0.123795 Sn\n0.500000 0.456755 0.876205 Sn\n0.500000 0.043245 0.376205 Sn\n0.500000 0.956755 0.623795 Sn\n0.000000 0.541669 0.122267 Sn\n0.000000 0.458331 0.877733 Sn\n0.000000 0.041669 0.377733 Sn\n0.000000 0.958331 0.622267 Sn\n0.500000 0.626007 0.405275 Sn\n0.500000 0.373993 0.594725 Sn\n0.500000 0.126007 0.094725 Sn\n0.500000 0.873993 0.905275 Sn\n0.000000 0.628997 0.397956 Sn\n0.000000 0.371003 0.602044 Sn\n0.000000 0.128997 0.102044 Sn\n0.000000 0.871003 0.897956 Sn\n",
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{
"id": "mp-641101",
"created_at": "2022-09-04T14:40:19.671775Z",
"structure_string": "K34 Zn20 In85\n1.0\n15.893616 -0.023083 7.296424\n4.669724 15.192144 7.296424\n-0.031291 -0.023083 17.488392\nK Zn In\n34 20 85\ndirect\n0.499518 0.107893 0.107893 K\n0.361875 0.361875 0.361875 K\n0.112598 0.742384 0.112598 K\n0.499775 0.153839 0.713156 K\n0.887402 0.257616 0.887402 K\n0.892107 0.500482 0.892107 K\n0.257616 0.887402 0.887402 K\n0.500225 0.846161 0.286845 K\n0.742928 0.742928 0.742928 K\n0.500482 0.892107 0.892107 K\n0.370163 0.717972 0.717972 K\n0.742384 0.112598 0.112598 K\n0.846161 0.500225 0.286845 K\n0.107893 0.499518 0.107893 K\n0.717972 0.717972 0.370163 K\n0.713156 0.499775 0.153839 K\n0.629837 0.282028 0.282028 K\n0.257072 0.257072 0.257072 K\n0.500225 0.286845 0.846161 K\n0.887402 0.887402 0.257616 K\n0.286845 0.500225 0.846161 K\n0.112598 0.112598 0.742384 K\n0.282028 0.282028 0.629837 K\n0.153839 0.499775 0.713156 K\n0.846161 0.286845 0.500225 K\n0.286845 0.846161 0.500225 K\n0.638125 0.638125 0.638125 K\n0.499775 0.713156 0.153839 K\n0.717972 0.370163 0.717972 K\n0.153839 0.713156 0.499775 K\n0.107893 0.107893 0.499518 K\n0.892107 0.892107 0.500482 K\n0.282028 0.629837 0.282028 K\n0.713156 0.153839 0.499775 K\n0.881917 0.881917 0.739015 Zn\n0.881917 0.739015 0.881917 Zn\n0.108594 0.960546 0.108594 Zn\n0.113688 0.113688 0.113688 Zn\n0.108594 0.108594 0.960546 Zn\n0.039454 0.891406 0.891406 Zn\n0.254541 0.021929 0.021929 Zn\n0.745459 0.978071 0.978071 Zn\n0.739015 0.881917 0.881917 Zn\n0.118083 0.260985 0.118083 Zn\n0.886312 0.886312 0.886312 Zn\n0.118083 0.118083 0.260985 Zn\n0.891406 0.891406 0.039454 Zn\n0.978071 0.745459 0.978071 Zn\n0.021929 0.254541 0.021929 Zn\n0.891406 0.039454 0.891406 Zn\n0.960546 0.108594 0.108594 Zn\n0.978071 0.978071 0.745459 Zn\n0.260985 0.118083 0.118083 Zn\n0.021929 0.021929 0.254541 Zn\n0.608795 0.608795 0.982643 In\n0.602504 0.336405 0.602504 In\n0.052170 0.884713 0.606818 In\n0.840994 0.284135 0.109628 In\n0.046537 0.673702 0.391514 In\n0.830758 0.291024 0.291024 In\n0.287109 0.014729 0.287109 In\n0.840994 0.109628 0.284135 In\n0.326298 0.953463 0.608486 In\n0.319820 0.148474 0.497726 In\n0.393182 0.947830 0.115287 In\n0.148474 0.497726 0.319820 In\n0.156145 0.496936 0.496936 In\n0.287109 0.287109 0.014729 In\n0.159006 0.715865 0.890372 In\n0.497155 0.497155 0.331835 In\n0.391514 0.673702 0.046537 In\n0.715865 0.159006 0.890372 In\n0.291024 0.830758 0.291024 In\n0.502845 0.502845 0.668165 In\n0.496936 0.156145 0.496936 In\n0.712891 0.712891 0.985271 In\n0.708976 0.169242 0.708976 In\n0.115287 0.393182 0.947830 In\n0.953463 0.608486 0.326298 In\n0.608486 0.953463 0.326298 In\n0.680180 0.502274 0.851526 In\n0.608486 0.326298 0.953463 In\n0.169242 0.708976 0.708976 In\n0.843855 0.503064 0.503064 In\n0.159006 0.890372 0.715865 In\n0.391514 0.046537 0.673702 In\n0.890372 0.159006 0.715865 In\n0.391205 0.391205 0.017357 In\n0.148474 0.319820 0.497726 In\n0.982643 0.608795 0.608795 In\n0.884713 0.052170 0.606818 In\n0.502845 0.668165 0.502845 In\n0.953463 0.326298 0.608486 In\n0.606818 0.052170 0.884713 In\n0.851526 0.502274 0.680180 In\n0.336405 0.602504 0.602504 In\n0.663595 0.397496 0.397496 In\n0.503064 0.503064 0.843855 In\n0.606818 0.884713 0.052170 In\n0.673702 0.391514 0.046537 In\n0.497155 0.331835 0.497155 In\n0.602504 0.602504 0.336405 In\n0.851526 0.680180 0.502274 In\n0.326298 0.608486 0.953463 In\n0.985271 0.712891 0.712891 In\n0.284135 0.109628 0.840994 In\n0.497726 0.319820 0.148474 In\n0.503064 0.843855 0.503064 In\n0.608795 0.982643 0.608795 In\n0.052170 0.606818 0.884713 In\n0.397496 0.663595 0.397496 In\n0.497726 0.148474 0.319820 In\n0.947830 0.393182 0.115287 In\n0.884713 0.606818 0.052170 In\n0.502274 0.851526 0.680180 In\n0.397496 0.397496 0.663595 In\n0.947830 0.115287 0.393182 In\n0.393182 0.115287 0.947830 In\n0.673702 0.046537 0.391514 In\n0.890372 0.715865 0.159006 In\n0.715865 0.890372 0.159006 In\n0.046537 0.391514 0.673702 In\n0.014729 0.287109 0.287109 In\n0.291024 0.291024 0.830758 In\n0.496936 0.496936 0.156145 In\n0.712891 0.985271 0.712891 In\n0.115287 0.947830 0.393182 In\n0.017357 0.391205 0.391205 In\n0.680180 0.851526 0.502274 In\n0.319820 0.497726 0.148474 In\n0.502274 0.680180 0.851526 In\n0.000000 0.000000 0.000000 In\n0.109628 0.284135 0.840994 In\n0.391205 0.017357 0.391205 In\n0.284135 0.840994 0.109628 In\n0.668165 0.502845 0.502845 In\n0.331835 0.497155 0.497155 In\n0.708976 0.708976 0.169242 In\n0.109628 0.840994 0.284135 In\n",
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