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{
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{
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"structure_string": "Sr2 H2 Br2\n1.0\n4.225896 0.000000 0.000000\n0.000000 4.225896 0.000000\n0.000000 0.000000 7.533466\nSr H Br\n2 2 2\ndirect\n0.500000 0.000000 0.818218 Sr\n0.000000 0.500000 0.181782 Sr\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.658475 Br\n0.500000 0.000000 0.341525 Br\n",
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},
{
"id": "mp-626778",
"created_at": "2022-09-04T14:46:24.438749Z",
"structure_string": "Na4 H4 O4\n1.0\n3.193965 0.000000 0.000000\n0.000000 5.932886 0.000000\n0.000000 0.000000 6.281235\nNa H O\n4 4 4\ndirect\n0.862158 0.250000 0.000000 Na\n0.137842 0.750000 0.500000 Na\n0.137842 0.750000 0.000000 Na\n0.862158 0.250000 0.500000 Na\n0.552044 0.535225 0.250000 H\n0.447956 0.464775 0.750000 H\n0.552044 0.964775 0.750000 H\n0.447956 0.035225 0.250000 H\n0.294626 0.444330 0.250000 O\n0.705374 0.555670 0.750000 O\n0.294626 0.055670 0.750000 O\n0.705374 0.944330 0.250000 O\n",
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{
"id": "mp-1044245",
"created_at": "2022-09-04T14:46:24.738164Z",
"structure_string": "Mn4 Zn4 Ge8 O24\n1.0\n9.489188 0.000000 0.000000\n0.000000 5.526088 0.000000\n0.000000 2.105373 9.650954\nMn Zn Ge O\n4 4 8 24\ndirect\n0.650339 0.036837 0.244427 Mn\n0.150339 0.463163 0.755573 Mn\n0.349661 0.963163 0.755573 Mn\n0.849661 0.536837 0.244427 Mn\n0.498366 0.544813 0.245669 Zn\n0.998366 0.955187 0.754331 Zn\n0.501634 0.455187 0.754331 Zn\n0.001634 0.044813 0.245669 Zn\n0.335086 0.189784 0.057483 Ge\n0.835086 0.310216 0.942517 Ge\n0.664914 0.810216 0.942517 Ge\n0.164914 0.689784 0.057483 Ge\n0.340350 0.750258 0.455231 Ge\n0.840350 0.749742 0.544769 Ge\n0.659650 0.249742 0.544769 Ge\n0.159650 0.250258 0.455231 Ge\n0.276357 0.497812 0.385758 O\n0.776357 0.002188 0.614242 O\n0.723643 0.502188 0.614242 O\n0.223643 0.997812 0.385758 O\n0.315245 0.855548 0.106103 O\n0.815245 0.644452 0.893897 O\n0.684755 0.144452 0.893897 O\n0.184755 0.355548 0.106103 O\n0.996200 0.285791 0.371282 O\n0.496200 0.214209 0.628718 O\n0.003800 0.714209 0.628718 O\n0.503800 0.785791 0.371282 O\n0.019554 0.776069 0.143701 O\n0.519554 0.723931 0.856299 O\n0.980446 0.223931 0.856299 O\n0.480446 0.276069 0.143701 O\n0.340210 0.253415 0.874139 O\n0.840210 0.246585 0.125861 O\n0.659790 0.746585 0.125861 O\n0.159790 0.753415 0.874139 O\n0.338635 0.681341 0.637415 O\n0.838635 0.818659 0.362585 O\n0.661365 0.318659 0.362585 O\n0.161365 0.181341 0.637415 O\n",
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{
"id": "mp-734885",
"created_at": "2022-09-04T14:46:24.439296Z",
"structure_string": "Co2 H34 C2 N16 O16\n1.0\n4.022947 6.847781 0.000000\n-4.022947 6.847781 0.000000\n0.000000 4.178619 11.929620\nCo H C N O\n2 34 2 16 16\ndirect\n0.016926 0.476964 0.495260 Co\n0.476964 0.016926 0.995260 Co\n0.746389 0.526491 0.683290 H\n0.526491 0.746389 0.183290 H\n0.651118 0.586203 0.569217 H\n0.586203 0.651118 0.069217 H\n0.692785 0.747908 0.601925 H\n0.747908 0.692785 0.101925 H\n0.104480 0.177943 0.672088 H\n0.177943 0.104480 0.172088 H\n0.172396 0.089123 0.554467 H\n0.089123 0.172396 0.054467 H\n0.939612 0.184872 0.612594 H\n0.184872 0.939612 0.112594 H\n0.335314 0.449987 0.339967 H\n0.449987 0.335314 0.839967 H\n0.407019 0.270821 0.450354 H\n0.270821 0.407019 0.950354 H\n0.296234 0.254185 0.362062 H\n0.254185 0.296234 0.862062 H\n0.880190 0.798397 0.347178 H\n0.798397 0.880190 0.847178 H\n0.094130 0.773012 0.362217 H\n0.773012 0.094130 0.862217 H\n0.893664 0.864014 0.456430 H\n0.864014 0.893664 0.956430 H\n0.276740 0.406420 0.622239 H\n0.406420 0.276740 0.122239 H\n0.055584 0.563779 0.674384 H\n0.563779 0.055584 0.174384 H\n0.192496 0.638437 0.563287 H\n0.638437 0.192496 0.063287 H\n0.648168 0.445864 0.318129 H\n0.445864 0.648168 0.818129 H\n0.809921 0.277005 0.231856 H\n0.277005 0.809921 0.731856 H\n0.932612 0.317827 0.338643 C\n0.317827 0.932612 0.838643 C\n0.746104 0.601174 0.601880 N\n0.601174 0.746104 0.101880 N\n0.065968 0.200832 0.595781 N\n0.200832 0.065968 0.095781 N\n0.301108 0.349631 0.400624 N\n0.349631 0.301108 0.900624 N\n0.966989 0.763044 0.403939 N\n0.763044 0.966989 0.903939 N\n0.151490 0.527414 0.601252 N\n0.527414 0.151490 0.101252 N\n0.780028 0.327710 0.303344 N\n0.327710 0.780028 0.803344 N\n0.814111 0.421663 0.896532 N\n0.421663 0.814111 0.396532 N\n0.101359 0.657153 0.117822 N\n0.657153 0.101359 0.617822 N\n0.878874 0.442822 0.405723 O\n0.442822 0.878874 0.905723 O\n0.106235 0.196571 0.310877 O\n0.196571 0.106235 0.810877 O\n0.722119 0.393452 0.839961 O\n0.393452 0.722119 0.339961 O\n0.813655 0.342749 0.999339 O\n0.342749 0.813655 0.499339 O\n0.902275 0.526309 0.850671 O\n0.526309 0.902275 0.350671 O\n0.969335 0.827410 0.132756 O\n0.827410 0.969334 0.632756 O\n0.266056 0.590642 0.146594 O\n0.590642 0.266056 0.646594 O\n0.067394 0.554636 0.073228 O\n0.554636 0.067394 0.573228 O\n",
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{
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"structure_string": "P4 H12 O16\n1.0\n5.196898 0.000000 0.000000\n0.000000 5.810237 0.000000\n0.000000 0.861902 10.817954\nP H O\n4 12 16\ndirect\n0.803562 0.792087 0.657565 P\n0.303562 0.207913 0.842435 P\n0.196438 0.207913 0.342435 P\n0.696438 0.792087 0.157565 P\n0.646119 0.744675 0.469871 H\n0.146119 0.255325 0.030129 H\n0.353881 0.255325 0.530129 H\n0.853881 0.744675 0.969871 H\n0.940225 0.151424 0.667505 H\n0.440225 0.848576 0.832495 H\n0.059775 0.848576 0.332495 H\n0.559775 0.151424 0.167505 H\n0.139129 0.555077 0.673533 H\n0.639129 0.444923 0.826467 H\n0.860871 0.444923 0.326467 H\n0.360871 0.555077 0.173533 H\n0.627048 0.690521 0.557094 O\n0.127048 0.309479 0.942906 O\n0.372952 0.309479 0.442906 O\n0.872952 0.690521 0.057094 O\n0.796839 0.060322 0.630120 O\n0.296839 0.939678 0.869880 O\n0.203161 0.939678 0.369880 O\n0.703161 0.060322 0.130120 O\n0.689474 0.709078 0.782420 O\n0.189474 0.290922 0.717580 O\n0.310526 0.290922 0.217580 O\n0.810526 0.709078 0.282420 O\n0.089982 0.719036 0.641865 O\n0.589982 0.280964 0.858135 O\n0.910018 0.280964 0.358135 O\n0.410018 0.719036 0.141865 O\n",
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{
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"structure_string": "Mg14 Cr1 Cd1 O16\n1.0\n8.698115 0.000000 0.000000\n0.000000 8.587299 0.000000\n0.000000 0.000000 4.311650\nMg Cr Cd O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.245610 0.500000 Mg\n0.000000 0.754390 0.500000 Mg\n0.500000 0.248740 0.500000 Mg\n0.500000 0.751260 0.500000 Mg\n0.252910 0.000000 0.500000 Mg\n0.255816 0.500000 0.500000 Mg\n0.747090 0.000000 0.500000 Mg\n0.744184 0.500000 0.500000 Mg\n0.254742 0.246837 0.000000 Mg\n0.254742 0.753163 0.000000 Mg\n0.745258 0.246837 0.000000 Mg\n0.745258 0.753163 0.000000 Mg\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cd\n0.264795 0.000000 0.000000 O\n0.264697 0.500000 0.000000 O\n0.735205 0.000000 0.000000 O\n0.735303 0.500000 0.000000 O\n0.248458 0.250284 0.500000 O\n0.248458 0.749716 0.500000 O\n0.751542 0.250284 0.500000 O\n0.751542 0.749716 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.236504 0.000000 O\n0.000000 0.763496 0.000000 O\n0.500000 0.250046 0.000000 O\n0.500000 0.749954 0.000000 O\n",
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{
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"structure_string": "Te2 Mo2 W2 Se6\n1.0\n1.691504 -2.929771 0.000000\n1.691504 2.929771 0.000000\n0.000000 0.000000 38.473924\nTe Mo W Se\n2 2 2 6\ndirect\n0.333333 0.666667 0.706653 Te\n0.333333 0.666667 0.608428 Te\n0.333333 0.666667 0.469648 Mo\n0.666667 0.333333 0.281800 Mo\n0.333333 0.666667 0.093916 W\n0.666667 0.333333 0.657560 W\n0.333333 0.666667 0.324786 Se\n0.666667 0.333333 0.050758 Se\n0.666667 0.333333 0.426677 Se\n0.666667 0.333333 0.137082 Se\n0.666667 0.333333 0.512639 Se\n0.333333 0.666667 0.238802 Se\n",
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{
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"elements": [
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{
"id": "mp-1202031",
"created_at": "2022-09-04T14:46:24.494191Z",
"structure_string": "Cs4 Mn4 H16 Cl12 O8\n1.0\n7.383778 0.000000 0.000000\n0.000000 9.138663 0.000000\n0.000000 0.000000 11.599852\nCs Mn H Cl O\n4 4 16 12 8\ndirect\n0.000000 0.750000 0.646182 Cs\n0.000000 0.250000 0.853818 Cs\n0.000000 0.250000 0.353818 Cs\n0.000000 0.750000 0.146182 Cs\n0.532151 0.500000 0.750000 Mn\n0.467849 0.000000 0.750000 Mn\n0.467849 0.500000 0.250000 Mn\n0.532151 0.000000 0.250000 Mn\n0.307766 0.522387 0.947882 H\n0.692234 0.977613 0.947882 H\n0.692234 0.022387 0.552118 H\n0.307766 0.477613 0.552118 H\n0.692234 0.477613 0.052118 H\n0.307766 0.022387 0.052118 H\n0.307766 0.977613 0.447882 H\n0.692234 0.522387 0.447882 H\n0.299846 0.676441 0.884600 H\n0.700154 0.823559 0.884600 H\n0.700154 0.176441 0.615400 H\n0.299846 0.323559 0.615400 H\n0.700154 0.323559 0.115400 H\n0.299846 0.176441 0.115400 H\n0.299846 0.823559 0.384600 H\n0.700154 0.676441 0.384600 H\n0.500000 0.750000 0.650510 Cl\n0.500000 0.250000 0.849490 Cl\n0.500000 0.250000 0.349490 Cl\n0.500000 0.750000 0.150510 Cl\n0.777634 0.589436 0.890818 Cl\n0.222366 0.910564 0.890818 Cl\n0.222366 0.089436 0.609182 Cl\n0.777634 0.410564 0.609182 Cl\n0.222366 0.410564 0.109182 Cl\n0.777634 0.089436 0.109182 Cl\n0.777634 0.910564 0.390818 Cl\n0.222366 0.589436 0.390818 Cl\n0.314736 0.569842 0.871199 O\n0.685264 0.930158 0.871199 O\n0.685264 0.069842 0.628801 O\n0.314736 0.430158 0.628801 O\n0.685264 0.430158 0.128801 O\n0.314736 0.069842 0.128801 O\n0.314736 0.930158 0.371199 O\n0.685264 0.569842 0.371199 O\n",
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"formula_full": "Cs4 Mn4 H16 Cl12 O8",
"formula_reduced": "CsMnH4Cl3O2",
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{
"id": "mp-746071",
"created_at": "2022-09-04T14:46:24.664916Z",
"structure_string": "K4 Fe4 P4 O16\n1.0\n5.404592 0.000000 0.000000\n0.000000 6.763002 0.000000\n0.000000 0.000000 10.430270\nK Fe P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.028059 0.750000 0.297679 Fe\n0.471941 0.750000 0.797679 Fe\n0.971941 0.250000 0.702321 Fe\n0.528059 0.250000 0.202321 Fe\n0.541817 0.750000 0.125942 P\n0.958183 0.750000 0.625942 P\n0.458183 0.250000 0.874058 P\n0.041817 0.250000 0.374058 P\n0.743941 0.250000 0.857527 O\n0.165174 0.434496 0.310905 O\n0.665174 0.565504 0.189095 O\n0.834826 0.934496 0.689095 O\n0.334826 0.065504 0.810905 O\n0.834826 0.565504 0.689095 O\n0.334826 0.434496 0.810905 O\n0.165174 0.065504 0.310905 O\n0.256059 0.750000 0.142473 O\n0.756059 0.250000 0.357527 O\n0.665174 0.934496 0.189095 O\n0.243941 0.750000 0.642473 O\n0.602279 0.750000 0.978802 O\n0.397721 0.250000 0.021198 O\n0.102279 0.250000 0.521198 O\n0.897721 0.750000 0.478802 O\n",
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"elements": [
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"P",
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],
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"density_atomic": 0.07344463056754515,
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"formula_full": "K4 Fe4 P4 O16",
"formula_reduced": "KFePO4",
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},
{
"id": "mp-1228107",
"created_at": "2022-09-04T14:46:26.241931Z",
"structure_string": "Ba6 Mn2 Zn1 Cl6 F12\n1.0\n5.121723 -8.871085 0.000000\n5.121723 8.871085 0.000000\n0.000000 0.000000 5.930763\nBa Mn Zn Cl F\n6 2 1 6 12\ndirect\n0.402727 0.091696 0.749944 Ba\n0.688970 0.597273 0.749944 Ba\n0.908304 0.311030 0.749944 Ba\n0.597273 0.908304 0.250056 Ba\n0.311030 0.402727 0.250056 Ba\n0.091696 0.688970 0.250056 Ba\n0.666667 0.333333 0.249230 Mn\n0.333333 0.666667 0.750770 Mn\n0.000000 0.000000 0.000000 Zn\n0.222279 0.049068 0.235030 Cl\n0.826789 0.777721 0.235030 Cl\n0.950932 0.173211 0.235030 Cl\n0.777721 0.950932 0.764970 Cl\n0.173211 0.222279 0.764970 Cl\n0.049068 0.826789 0.764970 Cl\n0.519493 0.358808 0.013311 F\n0.839315 0.480507 0.013311 F\n0.641192 0.160685 0.013311 F\n0.481796 0.642371 0.513465 F\n0.160575 0.518204 0.513465 F\n0.357629 0.839425 0.513465 F\n0.480507 0.641192 0.986689 F\n0.160685 0.519493 0.986689 F\n0.358808 0.839315 0.986689 F\n0.518204 0.357629 0.486535 F\n0.839425 0.481796 0.486535 F\n0.642371 0.160575 0.486535 F\n",
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"spacegroup": 147
}
]
}