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{
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"results": [
{
"id": "mp-777638",
"created_at": "2022-09-04T14:42:56.813626Z",
"structure_string": "Fe10 O11 F9\n1.0\n15.374159 0.000000 0.000000\n0.000000 4.735550 0.000000\n0.000000 0.194545 4.746614\nFe O F\n10 11 9\ndirect\n0.397011 0.999214 0.985279 Fe\n0.602989 0.999214 0.985279 Fe\n0.799414 0.957168 0.998288 Fe\n0.000000 0.955488 0.989275 Fe\n0.200586 0.957168 0.998288 Fe\n0.500000 0.497957 0.490511 Fe\n0.897128 0.537948 0.497552 Fe\n0.691258 0.535151 0.511426 Fe\n0.102872 0.537948 0.497552 Fe\n0.308742 0.535151 0.511426 Fe\n0.696936 0.810134 0.810523 O\n0.898576 0.798456 0.809017 O\n0.101424 0.798456 0.809017 O\n0.303064 0.810134 0.810523 O\n0.408116 0.698723 0.297580 O\n0.591884 0.698723 0.297580 O\n0.794601 0.690357 0.316171 O\n0.000000 0.691095 0.311595 O\n0.205399 0.690357 0.316171 O\n0.406675 0.309578 0.687591 O\n0.593325 0.309578 0.687591 O\n0.500000 0.813392 0.799001 F\n0.796610 0.299675 0.705500 F\n0.000000 0.297896 0.701682 F\n0.203390 0.299675 0.705500 F\n0.500000 0.190567 0.179778 F\n0.897670 0.192233 0.198828 F\n0.698630 0.198164 0.196322 F\n0.301370 0.198164 0.196322 F\n0.102330 0.192233 0.198828 F\n",
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"formula_full": "Fe10 O11 F9",
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"updated_at": "2021-11-28T01:36:01.699000Z",
"spacegroup": 6
},
{
"id": "mp-735600",
"created_at": "2022-09-04T14:42:56.141827Z",
"structure_string": "Sr4 Co8 H8 Se16 O48\n1.0\n5.380261 0.000000 0.000000\n0.000000 14.053170 0.000000\n0.000000 12.904159 15.073504\nSr Co H Se O\n4 8 8 16 48\ndirect\n0.459154 0.500000 0.750000 Sr\n0.540846 0.500000 0.250000 Sr\n0.671481 0.000000 0.750000 Sr\n0.328519 0.000000 0.250000 Sr\n0.047057 0.247680 0.254855 Co\n0.952943 0.752320 0.745145 Co\n0.047057 0.752320 0.245145 Co\n0.952943 0.247680 0.754855 Co\n0.405560 0.749754 0.496583 Co\n0.594440 0.250246 0.503417 Co\n0.405560 0.250246 0.003417 Co\n0.594440 0.749754 0.996583 Co\n0.776037 0.748331 0.618034 H\n0.223963 0.251669 0.381966 H\n0.776037 0.251669 0.881966 H\n0.223963 0.748331 0.118034 H\n0.115209 0.243197 0.629328 H\n0.884791 0.756803 0.370672 H\n0.115209 0.756803 0.870672 H\n0.884791 0.243197 0.129328 H\n0.918794 0.566298 0.591894 Se\n0.081206 0.433702 0.408106 Se\n0.918794 0.433702 0.908106 Se\n0.081206 0.566298 0.091894 Se\n0.104842 0.075179 0.589728 Se\n0.895158 0.924821 0.410272 Se\n0.104842 0.924821 0.910272 Se\n0.895158 0.075179 0.089728 Se\n0.425543 0.853291 0.615356 Se\n0.574457 0.146709 0.384644 Se\n0.425543 0.146709 0.884644 Se\n0.574457 0.853291 0.115356 Se\n0.479372 0.352772 0.621512 Se\n0.520628 0.647228 0.378488 Se\n0.479372 0.647228 0.878488 Se\n0.520628 0.352772 0.121512 Se\n0.205223 0.602460 0.609207 O\n0.794777 0.397540 0.390793 O\n0.205223 0.397540 0.890793 O\n0.794777 0.602460 0.109207 O\n0.842456 0.430337 0.697896 O\n0.157544 0.569663 0.302104 O\n0.842456 0.569663 0.802104 O\n0.157544 0.430337 0.197896 O\n0.717693 0.667889 0.588655 O\n0.282307 0.332111 0.411345 O\n0.717693 0.332111 0.911345 O\n0.282307 0.667889 0.088655 O\n0.382584 0.109955 0.614404 O\n0.617416 0.890045 0.385596 O\n0.382584 0.890045 0.885596 O\n0.617416 0.109955 0.114404 O\n0.020631 0.935439 0.692469 O\n0.979369 0.064561 0.307531 O\n0.020631 0.064561 0.807531 O\n0.979369 0.935439 0.192469 O\n0.909884 0.174768 0.588964 O\n0.090116 0.825232 0.411036 O\n0.909884 0.825232 0.911036 O\n0.090116 0.174768 0.088964 O\n0.362811 0.869851 0.524635 O\n0.637189 0.130149 0.475365 O\n0.362811 0.130149 0.975365 O\n0.637189 0.869851 0.024635 O\n0.286813 0.715233 0.702673 O\n0.713187 0.284767 0.297327 O\n0.286813 0.284767 0.797327 O\n0.713187 0.715233 0.202673 O\n0.759226 0.805581 0.633017 O\n0.240774 0.194419 0.366983 O\n0.759226 0.194419 0.866983 O\n0.240774 0.805581 0.133017 O\n0.538996 0.369389 0.530867 O\n0.461004 0.630611 0.469133 O\n0.538996 0.630611 0.969133 O\n0.461004 0.369389 0.030867 O\n0.624131 0.217007 0.708123 O\n0.375869 0.782993 0.291877 O\n0.624131 0.782993 0.791877 O\n0.375869 0.217007 0.208123 O\n0.144977 0.301136 0.641535 O\n0.855023 0.698864 0.358465 O\n0.144977 0.698864 0.858465 O\n0.855023 0.301136 0.141535 O\n",
"nsites": 84,
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"elements": [
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"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-O-Se-Sr",
"density": 4.168950528543391,
"density_atomic": 0.07370338283202818,
"volume": 1139.7034542015265,
"volume_molar": 8.170779316499768,
"formula_full": "Sr4 Co8 H8 Se16 O48",
"formula_reduced": "SrCo2H2(SeO3)4",
"formula_anonymous": "AB2C2D4E12",
"energy": -500.27365636,
"energy_per_atom": -5.955638766190477,
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"updated_at": "2021-11-28T01:35:55.276000Z",
"spacegroup": 13
},
{
"id": "mp-634802",
"created_at": "2022-09-04T14:42:56.174195Z",
"structure_string": "Np1 O2 F2\n1.0\n2.194634 4.241853 0.000000\n-2.194634 4.241853 0.000000\n0.000000 0.481548 3.749830\nNp O F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.565048 0.565048 0.112387 O\n0.434952 0.434952 0.887613 O\n0.844867 0.844867 0.522149 F\n0.155133 0.155133 0.477851 F\n",
"nsites": 5,
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"elements": [
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"F"
],
"chemical_system": "F-Np-O",
"density": 7.301666037036343,
"density_atomic": 0.07161610745569923,
"volume": 69.81669595897729,
"volume_molar": 8.40891940926169,
"formula_full": "Np1 O2 F2",
"formula_reduced": "Np(OF)2",
"formula_anonymous": "AB2C2",
"energy": -40.05330755,
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"updated_at": "2021-11-28T01:35:58.429000Z",
"spacegroup": 12
},
{
"id": "mp-667292",
"created_at": "2022-09-04T14:42:56.189098Z",
"structure_string": "K16 Mg8 Si40 O96\n1.0\n13.835580 0.000000 0.000000\n0.000000 13.239934 0.000000\n0.000000 0.414549 13.350313\nK Mg Si O\n16 8 40 96\ndirect\n0.389150 0.405377 0.114646 K\n0.889150 0.094623 0.885354 K\n0.140387 0.124833 0.367931 K\n0.131648 0.353957 0.853557 K\n0.640387 0.375167 0.632069 K\n0.110850 0.905377 0.114646 K\n0.395835 0.148287 0.629129 K\n0.359613 0.624833 0.367931 K\n0.631648 0.146043 0.146443 K\n0.604165 0.851713 0.370871 K\n0.895835 0.351713 0.370871 K\n0.868352 0.646043 0.146443 K\n0.368352 0.853957 0.853557 K\n0.104165 0.648287 0.629129 K\n0.610850 0.594623 0.885354 K\n0.859613 0.875167 0.632069 K\n0.570478 0.889451 0.642917 Mg\n0.065151 0.869002 0.814527 Mg\n0.929522 0.389451 0.642917 Mg\n0.565151 0.630998 0.185473 Mg\n0.934849 0.130998 0.185473 Mg\n0.429522 0.110549 0.357083 Mg\n0.070478 0.610549 0.357083 Mg\n0.434849 0.369002 0.814527 Mg\n0.319818 0.568422 0.890751 Si\n0.861592 0.375782 0.869163 Si\n0.889085 0.162732 0.607432 Si\n0.815355 0.596531 0.643553 Si\n0.901728 0.850279 0.323268 Si\n0.150876 0.186635 0.094171 Si\n0.857414 0.630844 0.423720 Si\n0.403861 0.902955 0.149941 Si\n0.401728 0.649721 0.676732 Si\n0.184645 0.403469 0.356447 Si\n0.389085 0.337268 0.392568 Si\n0.903861 0.597045 0.850059 Si\n0.096139 0.402955 0.149941 Si\n0.680182 0.431578 0.109249 Si\n0.315355 0.903469 0.356447 Si\n0.349124 0.686635 0.094171 Si\n0.110953 0.636411 0.900703 Si\n0.684645 0.096531 0.643553 Si\n0.142586 0.369156 0.576280 Si\n0.849124 0.813365 0.905829 Si\n0.357414 0.869156 0.576280 Si\n0.138408 0.624218 0.130837 Si\n0.610915 0.662732 0.607432 Si\n0.650876 0.313365 0.905829 Si\n0.642586 0.130844 0.423720 Si\n0.859893 0.052475 0.408651 Si\n0.640107 0.552475 0.408651 Si\n0.889047 0.363589 0.099297 Si\n0.180182 0.068422 0.890751 Si\n0.110915 0.837268 0.392568 Si\n0.140107 0.947525 0.591349 Si\n0.361592 0.124218 0.130837 Si\n0.359893 0.447525 0.591349 Si\n0.819818 0.931578 0.109249 Si\n0.610953 0.863589 0.099297 Si\n0.389047 0.136411 0.900703 Si\n0.638408 0.875782 0.869163 Si\n0.598272 0.350279 0.323268 Si\n0.596139 0.097045 0.850059 Si\n0.098272 0.149721 0.676732 Si\n0.142434 0.073402 0.594652 O\n0.068295 0.895823 0.670094 O\n0.207802 0.860913 0.322255 O\n0.142304 0.129004 0.788294 O\n0.390467 0.427667 0.474561 O\n0.608484 0.133646 0.732133 O\n0.335905 0.001022 0.122885 O\n0.128985 0.961506 0.907880 O\n0.519313 0.637275 0.685057 O\n0.426463 0.622542 0.156888 O\n0.357696 0.629004 0.788294 O\n0.926463 0.877458 0.843112 O\n0.851182 0.663686 0.542914 O\n0.890467 0.072333 0.525439 O\n0.292198 0.360913 0.322255 O\n0.664095 0.998978 0.877115 O\n0.618494 0.766456 0.171044 O\n0.648818 0.163686 0.542914 O\n0.105289 0.725768 0.440034 O\n0.129572 0.310399 0.078965 O\n0.252783 0.914323 0.610698 O\n0.133231 0.262549 0.643835 O\n0.629572 0.189601 0.921035 O\n0.984081 0.434870 0.126604 O\n0.609533 0.572333 0.525439 O\n0.633231 0.237451 0.356165 O\n0.515919 0.934870 0.126604 O\n0.118494 0.733544 0.828956 O\n0.015919 0.565130 0.873396 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O\n0.073537 0.122542 0.156888 O\n0.817000 0.478129 0.628968 O\n0.370428 0.810399 0.078965 O\n0.943179 0.556152 0.396816 O\n0.891516 0.633646 0.732133 O\n0.391516 0.866354 0.267867 O\n0.560402 0.849550 0.786470 O\n0.743212 0.820995 0.850080 O\n0.256788 0.179005 0.149920 O\n0.556821 0.056152 0.396816 O\n0.799093 0.444725 0.115637 O\n0.056821 0.443848 0.603184 O\n0.700907 0.944725 0.115637 O\n0.871015 0.038494 0.092120 O\n0.931705 0.104177 0.329906 O\n0.642434 0.426598 0.405348 O\n0.683000 0.978129 0.628968 O\n0.019313 0.862725 0.314943 O\n0.247217 0.414323 0.610698 O\n0.200907 0.555275 0.884363 O\n0.658960 0.348248 0.022863 O\n0.573537 0.377458 0.843112 O\n0.443179 0.943848 0.603184 O\n0.835905 0.498978 0.877115 O\n0.866769 0.737451 0.356165 O\n0.605289 0.774232 0.559966 O\n0.439598 0.150450 0.213530 O\n0.164095 0.501022 0.122885 O\n0.484081 0.065130 0.873396 O\n0.394711 0.225768 0.440034 O\n0.183000 0.521871 0.371032 O\n0.870428 0.689601 0.921035 O\n0.351182 0.836314 0.457086 O\n0.881506 0.266456 0.171044 O\n",
"nsites": 160,
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"elements": [
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],
"chemical_system": "K-Mg-O-Si",
"density": 2.3625212477469737,
"density_atomic": 0.06542524304864761,
"volume": 2445.5392528084362,
"volume_molar": 9.204613509073518,
"formula_full": "K16 Mg8 Si40 O96",
"formula_reduced": "K2MgSi5O12",
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"energy": -1222.05329718,
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"updated_at": "2021-11-28T01:36:00.371000Z",
"spacegroup": 14
},
{
"id": "mp-1192051",
"created_at": "2022-09-04T14:42:56.216809Z",
"structure_string": "Nd5 Ni19\n1.0\n-2.489530 -4.311992 0.000000\n2.489530 -4.311992 0.000000\n0.000000 -2.874661 16.106879\nNd Ni\n5 19\ndirect\n0.000000 0.000000 0.000000 Nd\n0.078111 0.078111 0.765666 Nd\n0.921889 0.921889 0.234334 Nd\n0.151660 0.151660 0.545019 Nd\n0.848340 0.848340 0.454981 Nd\n0.500000 0.500000 0.500000 Ni\n0.251273 0.251273 0.246180 Ni\n0.748727 0.748727 0.753820 Ni\n0.333349 0.333349 0.999952 Ni\n0.666651 0.666651 0.000048 Ni\n0.414993 0.414993 0.755021 Ni\n0.585007 0.585007 0.244979 Ni\n0.123458 0.622173 0.632197 Ni\n0.622173 0.622173 0.632197 Ni\n0.622173 0.123458 0.632197 Ni\n0.876542 0.377827 0.367803 Ni\n0.377827 0.377827 0.367803 Ni\n0.377827 0.876542 0.367803 Ni\n0.040238 0.540828 0.878106 Ni\n0.540828 0.540828 0.878106 Ni\n0.540828 0.040238 0.878106 Ni\n0.959762 0.459172 0.121894 Ni\n0.459172 0.459172 0.121894 Ni\n0.459172 0.959762 0.121894 Ni\n",
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},
{
"id": "mp-1073812",
"created_at": "2022-09-04T14:42:56.294745Z",
"structure_string": "Mg6 Si6\n1.0\n4.750796 0.000000 0.000000\n-1.525690 5.062115 0.000000\n-2.274063 -1.482144 9.687339\nMg Si\n6 6\ndirect\n0.707546 0.323479 0.564668 Mg\n0.174314 0.228217 0.859114 Mg\n0.509017 0.146144 0.248304 Mg\n0.292454 0.676521 0.435332 Mg\n0.825686 0.771783 0.140886 Mg\n0.490983 0.853856 0.751696 Mg\n0.073443 0.126898 0.409468 Si\n0.265514 0.541718 0.163386 Si\n0.226854 0.774227 0.966388 Si\n0.734486 0.458282 0.836614 Si\n0.926557 0.873102 0.590532 Si\n0.773146 0.225773 0.033612 Si\n",
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