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{
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"results": [
{
"id": "mp-1193069",
"created_at": "2022-09-04T14:39:37.162076Z",
"structure_string": "Ho6 Mn6 O18\n1.0\n2.806169 -5.435808 0.000000\n2.806169 5.435808 0.000000\n0.000000 0.000000 12.543845\nHo Mn O\n6 6 18\ndirect\n0.027540 0.027540 0.339053 Ho\n0.972460 0.972460 0.839053 Ho\n0.700551 0.366904 0.286858 Ho\n0.366904 0.700551 0.286858 Ho\n0.299449 0.633096 0.786858 Ho\n0.633096 0.299449 0.786858 Ho\n0.400507 0.400507 0.041999 Mn\n0.042483 0.683897 0.021719 Mn\n0.683897 0.042483 0.021719 Mn\n0.599493 0.599493 0.541999 Mn\n0.957517 0.316103 0.521719 Mn\n0.316103 0.957517 0.521719 Mn\n0.412588 0.412588 0.417525 O\n0.059133 0.651693 0.424186 O\n0.651693 0.059133 0.424186 O\n0.587412 0.587412 0.917525 O\n0.940867 0.348307 0.924186 O\n0.348307 0.940867 0.924186 O\n0.712602 0.712602 0.249598 O\n0.016818 0.318142 0.247526 O\n0.318142 0.016818 0.247526 O\n0.287398 0.287398 0.749598 O\n0.983182 0.681858 0.747526 O\n0.681858 0.983182 0.747526 O\n0.981206 0.981206 0.528878 O\n0.018794 0.018794 0.028878 O\n0.705492 0.382827 0.090796 O\n0.382827 0.705492 0.090796 O\n0.294508 0.617173 0.590796 O\n0.617173 0.294508 0.590796 O\n",
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{
"id": "mp-1213145",
"created_at": "2022-09-04T14:39:37.150096Z",
"structure_string": "H64 Pd4 C16 N40 O8\n1.0\n7.298446 0.000000 0.000000\n0.000000 7.302902 0.000000\n0.000000 0.000000 22.837584\nH Pd C N O\n64 4 16 40 8\ndirect\n0.143587 0.188119 0.087569 H\n0.856413 0.811881 0.912431 H\n0.356413 0.811881 0.587569 H\n0.856413 0.688119 0.412431 H\n0.643587 0.188119 0.412431 H\n0.143587 0.311881 0.587569 H\n0.643587 0.311881 0.912431 H\n0.356413 0.688119 0.087569 H\n0.125991 0.161101 0.496758 H\n0.874009 0.838899 0.503242 H\n0.374009 0.838899 0.996758 H\n0.874009 0.661101 0.003242 H\n0.625991 0.161101 0.003242 H\n0.125991 0.338899 0.996758 H\n0.625991 0.338899 0.503242 H\n0.374009 0.661101 0.496758 H\n0.368727 0.453148 0.216260 H\n0.631273 0.546852 0.783740 H\n0.131273 0.546852 0.716260 H\n0.631273 0.953148 0.283740 H\n0.868727 0.453148 0.283740 H\n0.368727 0.046852 0.716260 H\n0.868727 0.046852 0.783740 H\n0.131273 0.953148 0.216260 H\n0.198045 0.281114 0.308583 H\n0.801955 0.718886 0.691417 H\n0.301955 0.718886 0.808583 H\n0.801955 0.781114 0.191417 H\n0.698045 0.281114 0.191417 H\n0.198045 0.218886 0.808583 H\n0.698045 0.218886 0.691417 H\n0.301955 0.781114 0.308583 H\n0.346502 0.438097 0.432504 H\n0.653498 0.561903 0.567496 H\n0.153498 0.561903 0.932504 H\n0.653498 0.938097 0.067496 H\n0.846502 0.438097 0.067496 H\n0.346502 0.061903 0.932504 H\n0.846502 0.061903 0.567496 H\n0.153498 0.938097 0.432504 H\n0.413060 0.472683 0.360922 H\n0.586940 0.527317 0.639078 H\n0.086940 0.527317 0.860922 H\n0.586940 0.972683 0.139078 H\n0.913060 0.472683 0.139078 H\n0.413060 0.027317 0.860922 H\n0.913060 0.027317 0.639078 H\n0.086940 0.972683 0.360922 H\n0.396476 0.201102 0.295620 H\n0.603524 0.798898 0.704380 H\n0.103524 0.798898 0.795620 H\n0.603524 0.701102 0.204380 H\n0.896476 0.201102 0.204380 H\n0.396476 0.298898 0.795620 H\n0.896476 0.298898 0.704380 H\n0.103524 0.701102 0.295620 H\n0.206102 0.145898 0.180788 H\n0.793898 0.854102 0.819212 H\n0.293898 0.854102 0.680788 H\n0.793898 0.645898 0.319212 H\n0.706102 0.145898 0.319212 H\n0.206102 0.354102 0.680788 H\n0.706102 0.354102 0.819212 H\n0.293898 0.645898 0.180788 H\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.047164 0.191692 0.414648 C\n0.952836 0.808308 0.585352 C\n0.452836 0.808308 0.914648 C\n0.952836 0.691692 0.085352 C\n0.547164 0.191692 0.085352 C\n0.047164 0.308308 0.914648 C\n0.547164 0.308308 0.585352 C\n0.452836 0.691692 0.414648 C\n0.429092 0.462658 0.128744 C\n0.570908 0.537342 0.871256 C\n0.070908 0.537342 0.628744 C\n0.570908 0.962658 0.371256 C\n0.929092 0.462658 0.371256 C\n0.429092 0.037342 0.628744 C\n0.929092 0.037342 0.871256 C\n0.070908 0.962658 0.128744 C\n0.489823 0.288101 0.132898 N\n0.510177 0.711899 0.867102 N\n0.010177 0.711899 0.632898 N\n0.510177 0.788101 0.367102 N\n0.989823 0.288101 0.367102 N\n0.489823 0.211899 0.632898 N\n0.989823 0.211899 0.867102 N\n0.010177 0.788101 0.132898 N\n0.072968 0.008870 0.403872 N\n0.927032 0.991130 0.596128 N\n0.427032 0.991130 0.903872 N\n0.927032 0.508870 0.096128 N\n0.572968 0.008870 0.096128 N\n0.072968 0.491130 0.903872 N\n0.572968 0.491130 0.596128 N\n0.427032 0.508870 0.403872 N\n0.110758 0.043901 0.182372 N\n0.889242 0.956099 0.817628 N\n0.389242 0.956099 0.682372 N\n0.889242 0.543901 0.317628 N\n0.610758 0.043901 0.317628 N\n0.110758 0.456099 0.682372 N\n0.610758 0.456099 0.817628 N\n0.389242 0.543901 0.182372 N\n0.092110 0.060025 0.080477 N\n0.907890 0.939975 0.919523 N\n0.407890 0.939975 0.580477 N\n0.907890 0.560025 0.419523 N\n0.592110 0.060025 0.419523 N\n0.092110 0.439975 0.580477 N\n0.592110 0.439975 0.919523 N\n0.407890 0.560025 0.080477 N\n0.078507 0.257062 0.467852 N\n0.921493 0.742938 0.532148 N\n0.421493 0.742938 0.967852 N\n0.921493 0.757062 0.032148 N\n0.578507 0.257062 0.032148 N\n0.078507 0.242938 0.967852 N\n0.578507 0.242938 0.532148 N\n0.421493 0.757062 0.467852 N\n0.315437 0.307402 0.288555 O\n0.684563 0.692598 0.711445 O\n0.184563 0.692598 0.788555 O\n0.684563 0.807402 0.211445 O\n0.815437 0.307402 0.211445 O\n0.315437 0.192598 0.788555 O\n0.815437 0.192598 0.711445 O\n0.184563 0.807402 0.288555 O\n",
"nsites": 132,
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"elements": [
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"Pd",
"C",
"N",
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],
"chemical_system": "C-H-N-O-Pd",
"density": 1.8697818671594832,
"density_atomic": 0.10844209561176407,
"volume": 1217.2394793307583,
"volume_molar": 5.553323850877982,
"formula_full": "H64 Pd4 C16 N40 O8",
"formula_reduced": "H16PdC4(N5O)2",
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"energy": -821.80750485,
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"updated_at": "2021-11-28T01:34:31.529000Z",
"spacegroup": 61
},
{
"id": "mp-6607",
"created_at": "2022-09-04T14:39:37.151847Z",
"structure_string": "Ca20 Si8 S4 O48\n1.0\n6.933444 0.000000 0.000000\n0.000000 10.276104 0.000000\n0.000000 0.000000 15.527265\nCa Si S O\n20 8 4 48\ndirect\n0.637871 0.933717 0.413909 Ca\n0.137871 0.566283 0.086091 Ca\n0.862129 0.433717 0.586091 Ca\n0.362129 0.066283 0.913909 Ca\n0.362129 0.066283 0.586091 Ca\n0.862129 0.433717 0.913909 Ca\n0.137871 0.566283 0.413909 Ca\n0.637871 0.933717 0.086091 Ca\n0.859309 0.841900 0.595974 Ca\n0.359309 0.658100 0.904026 Ca\n0.640691 0.341900 0.404026 Ca\n0.140691 0.158100 0.095974 Ca\n0.140691 0.158100 0.404026 Ca\n0.640691 0.341900 0.095974 Ca\n0.359309 0.658100 0.595974 Ca\n0.859309 0.841900 0.904026 Ca\n0.050524 0.193567 0.750000 Ca\n0.550524 0.306433 0.750000 Ca\n0.449476 0.693567 0.250000 Ca\n0.949476 0.806433 0.250000 Ca\n0.653437 0.633934 0.074696 Si\n0.153437 0.866066 0.425304 Si\n0.846563 0.133934 0.925304 Si\n0.346563 0.366066 0.574696 Si\n0.653437 0.633934 0.425304 Si\n0.153437 0.866066 0.074696 Si\n0.846563 0.133934 0.574696 Si\n0.346563 0.366066 0.925304 Si\n0.985416 0.410805 0.250000 S\n0.485416 0.089195 0.250000 S\n0.514584 0.910805 0.750000 S\n0.014584 0.589195 0.750000 S\n0.468002 0.545700 0.390961 O\n0.968002 0.954300 0.109039 O\n0.031998 0.045700 0.609039 O\n0.531998 0.454300 0.890961 O\n0.531998 0.454300 0.609039 O\n0.031998 0.045700 0.890961 O\n0.968002 0.954300 0.390961 O\n0.468002 0.545700 0.109039 O\n0.710277 0.732659 0.345656 O\n0.210277 0.767341 0.154344 O\n0.789723 0.232659 0.654344 O\n0.289723 0.267341 0.845656 O\n0.289723 0.267341 0.654344 O\n0.789723 0.232659 0.845656 O\n0.210277 0.767341 0.345656 O\n0.710277 0.732659 0.154344 O\n0.819152 0.524149 0.448651 O\n0.319152 0.975851 0.051349 O\n0.680848 0.024149 0.551349 O\n0.068222 0.351239 0.329353 O\n0.180848 0.475851 0.948651 O\n0.680848 0.024149 0.948651 O\n0.319152 0.975851 0.448651 O\n0.819152 0.524149 0.051349 O\n0.613837 0.730531 0.509132 O\n0.113837 0.769469 0.990868 O\n0.886163 0.230531 0.490868 O\n0.386163 0.269469 0.009132 O\n0.386163 0.269469 0.490868 O\n0.886163 0.230531 0.009132 O\n0.113837 0.769469 0.509132 O\n0.613837 0.730531 0.990868 O\n0.772539 0.393278 0.250000 O\n0.272539 0.106722 0.250000 O\n0.727461 0.893278 0.750000 O\n0.227461 0.606722 0.750000 O\n0.043083 0.551034 0.250000 O\n0.543083 0.948966 0.250000 O\n0.456917 0.051034 0.750000 O\n0.956917 0.448966 0.750000 O\n0.068222 0.351239 0.170647 O\n0.568222 0.148761 0.329353 O\n0.431778 0.851239 0.829353 O\n0.931778 0.648761 0.670647 O\n0.931778 0.648761 0.829353 O\n0.431778 0.851239 0.670647 O\n0.568222 0.148761 0.170647 O\n0.180848 0.475851 0.551349 O\n",
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"formula_full": "Ca20 Si8 S4 O48",
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{
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"created_at": "2022-09-04T14:39:37.156427Z",
"structure_string": "K6 Se6\n1.0\n4.517476 -7.824498 0.000000\n4.517476 7.824498 0.000000\n0.000000 0.000000 6.098357\nK Se\n6 6\ndirect\n0.649940 0.000000 0.000000 K\n0.350060 0.350060 0.000000 K\n0.000000 0.649940 0.000000 K\n0.316367 0.000000 0.500000 K\n0.683633 0.683633 0.500000 K\n0.000000 0.316367 0.500000 K\n0.000000 0.000000 0.199713 Se\n0.000000 0.000000 0.800287 Se\n0.333333 0.666667 0.299240 Se\n0.333333 0.666667 0.700760 Se\n0.666667 0.333333 0.700760 Se\n0.666667 0.333333 0.299240 Se\n",
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"formula_full": "K6 Se6",
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{
"id": "mp-973968",
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"structure_string": "K1 Na1 O3\n1.0\n4.439773 0.000000 0.000000\n0.000000 4.439773 0.000000\n0.000000 0.000000 4.439773\nK Na O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"formula_full": "K1 Na1 O3",
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{
"id": "mp-757731",
"created_at": "2022-09-04T14:39:37.160561Z",
"structure_string": "Li4 Nb2 Fe3 Co3 O16\n1.0\n2.944514 5.087180 0.000000\n-2.944514 5.087180 0.000000\n0.000000 0.214463 9.605237\nLi Nb Fe Co O\n4 2 3 3 16\ndirect\n0.662539 0.662539 0.096610 Li\n0.006152 0.006152 0.005953 Li\n0.007815 0.007815 0.509231 Li\n0.329180 0.329180 0.603220 Li\n0.662913 0.662913 0.507193 Nb\n0.331444 0.331444 0.001747 Nb\n0.829158 0.829158 0.780243 Fe\n0.169527 0.657573 0.281609 Fe\n0.657573 0.169527 0.281609 Fe\n0.341517 0.831109 0.785771 Co\n0.831109 0.341517 0.785771 Co\n0.171316 0.171316 0.285648 Co\n0.334213 0.840385 0.403706 O\n0.520033 0.520033 0.669312 O\n0.662172 0.662172 0.888540 O\n0.006205 0.006205 0.695672 O\n0.006035 0.006035 0.193886 O\n0.840385 0.334213 0.403706 O\n0.508149 0.962362 0.660548 O\n0.962362 0.508149 0.660548 O\n0.166830 0.166830 0.896329 O\n0.835501 0.835501 0.415837 O\n0.035109 0.471491 0.159872 O\n0.471491 0.035109 0.159872 O\n0.330138 0.330138 0.393154 O\n0.169989 0.670435 0.906782 O\n0.480559 0.480559 0.152928 O\n0.670435 0.169989 0.906782 O\n",
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"formula_full": "Li4 Nb2 Fe3 Co3 O16",
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{
"id": "mp-1110759",
"created_at": "2022-09-04T14:39:37.172515Z",
"structure_string": "K2 Rb1 Bi1 Cl6\n1.0\n0.000000 5.811508 5.811508\n5.811508 0.000000 5.811508\n5.811508 5.811508 0.000000\nK Rb Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.766602 0.233398 0.233398 Cl\n0.233398 0.233398 0.766602 Cl\n0.233398 0.766602 0.766602 Cl\n0.233398 0.766602 0.233398 Cl\n0.766602 0.233398 0.766602 Cl\n0.766602 0.766602 0.233398 Cl\n",
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