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{
"id": "mp-571445",
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{
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"structure_string": "K2 Ca1 Ni1 N6 O12\n1.0\n0.000000 5.234974 5.234974\n5.234974 0.000000 5.234974\n5.234974 5.234974 0.000000\nK Ca Ni N O\n2 1 1 6 12\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ni\n0.799628 0.200372 0.200372 N\n0.200372 0.799628 0.200372 N\n0.200372 0.200372 0.799628 N\n0.799628 0.799628 0.200372 N\n0.799628 0.200372 0.799628 N\n0.200372 0.799628 0.799628 N\n0.366288 0.633712 0.161355 O\n0.366288 0.838645 0.633712 O\n0.633712 0.161355 0.366288 O\n0.838645 0.366288 0.161355 O\n0.161355 0.633712 0.838645 O\n0.633712 0.838645 0.161355 O\n0.838645 0.161355 0.633712 O\n0.633712 0.366288 0.838645 O\n0.366288 0.161355 0.838645 O\n0.161355 0.366288 0.633712 O\n0.161355 0.838645 0.366288 O\n0.838645 0.633712 0.366288 O\n",
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"formula_full": "K2 Ca1 Ni1 N6 O12",
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},
{
"id": "mp-28544",
"created_at": "2022-09-04T14:46:19.360391Z",
"structure_string": "Sm8 Cl12 O2\n1.0\n4.353634 -7.540716 0.000000\n4.353634 7.540716 0.000000\n0.000000 0.000000 8.283428\nSm Cl O\n8 12 2\ndirect\n0.815301 0.184699 0.546195 Sm\n0.630602 0.815301 0.046195 Sm\n0.184699 0.369398 0.046195 Sm\n0.815301 0.630602 0.546195 Sm\n0.369398 0.184699 0.546195 Sm\n0.184699 0.815301 0.046195 Sm\n0.666667 0.333333 0.846374 Sm\n0.333333 0.666667 0.346374 Sm\n0.482519 0.965038 0.712895 Cl\n0.517481 0.034962 0.212895 Cl\n0.965038 0.482519 0.212895 Cl\n0.482519 0.517481 0.712895 Cl\n0.862773 0.137227 0.889757 Cl\n0.725545 0.862773 0.389757 Cl\n0.517481 0.482519 0.212895 Cl\n0.034962 0.517481 0.712895 Cl\n0.137227 0.862773 0.389757 Cl\n0.274455 0.137227 0.889757 Cl\n0.862773 0.725545 0.889757 Cl\n0.137227 0.274455 0.389757 Cl\n0.333333 0.666667 0.063384 O\n0.666667 0.333333 0.563384 O\n",
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"formula_full": "Sm8 Cl12 O2",
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},
{
"id": "mp-20107",
"created_at": "2022-09-04T14:46:16.529044Z",
"structure_string": "Mn4 Cu4 As4\n1.0\n3.693325 0.000000 0.000000\n0.000000 6.256894 0.000000\n0.000000 0.000000 7.604642\nMn Cu As\n4 4 4\ndirect\n0.750000 0.956365 0.836386 Mn\n0.250000 0.043635 0.163614 Mn\n0.750000 0.456365 0.663614 Mn\n0.250000 0.543635 0.336386 Mn\n0.750000 0.863968 0.440425 Cu\n0.250000 0.136032 0.559575 Cu\n0.750000 0.363968 0.059575 Cu\n0.250000 0.636032 0.940425 Cu\n0.750000 0.252252 0.363316 As\n0.250000 0.747748 0.636684 As\n0.750000 0.752252 0.136684 As\n0.250000 0.247748 0.863316 As\n",
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"formula_full": "Mn4 Cu4 As4",
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{
"id": "mp-1199228",
"created_at": "2022-09-04T14:46:11.547216Z",
"structure_string": "Fe6 P4 H4 O20\n1.0\n-6.497689 0.000000 3.506081\n-0.027689 0.000000 -7.505499\n0.000000 -7.638169 0.000000\nFe P H O\n6 4 4 20\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.772643 0.506716 0.767133 Fe\n0.272643 0.006716 0.732867 Fe\n0.227357 0.493284 0.232867 Fe\n0.727357 0.993284 0.267133 Fe\n0.497233 0.745025 0.888655 P\n0.997233 0.245025 0.611345 P\n0.502767 0.254975 0.111345 P\n0.002767 0.754975 0.388655 P\n0.089665 0.705102 0.942091 H\n0.589665 0.205102 0.557909 H\n0.910335 0.294898 0.057909 H\n0.410335 0.794898 0.442091 H\n0.304372 0.611462 0.998587 O\n0.804372 0.111462 0.501413 O\n0.695628 0.388538 0.001413 O\n0.195628 0.888538 0.498587 O\n0.449022 0.880917 0.768036 O\n0.949022 0.380917 0.731964 O\n0.550978 0.119083 0.231964 O\n0.050978 0.619083 0.268036 O\n0.679866 0.874138 0.014068 O\n0.179866 0.374138 0.485932 O\n0.320134 0.125862 0.985932 O\n0.820134 0.625862 0.514068 O\n0.563865 0.616080 0.770583 O\n0.063865 0.116080 0.729417 O\n0.436135 0.383920 0.229417 O\n0.936135 0.883920 0.270583 O\n0.021816 0.761701 0.865844 O\n0.521816 0.261701 0.634156 O\n0.978184 0.238299 0.134156 O\n0.478184 0.738299 0.365844 O\n",
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"formula_full": "Fe6 P4 H4 O20",
"formula_reduced": "Fe3P2(HO5)2",
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{
"id": "mp-1194756",
"created_at": "2022-09-04T14:46:19.362061Z",
"structure_string": "Na16 Lu4 C12 O36 F4\n1.0\n8.046720 4.034320 0.000000\n-8.046720 4.034320 0.000000\n0.000000 2.813357 13.847392\nNa Lu C O F\n16 4 12 36 4\ndirect\n0.587419 0.585262 0.194629 Na\n0.585262 0.587419 0.694629 Na\n0.149157 0.510798 0.611504 Na\n0.510798 0.149157 0.111504 Na\n0.176124 0.526392 0.089970 Na\n0.526392 0.176124 0.589970 Na\n0.074230 0.856828 0.527722 Na\n0.856828 0.074230 0.027722 Na\n0.060680 0.864224 0.274113 Na\n0.864224 0.060680 0.774113 Na\n0.842663 0.069108 0.275815 Na\n0.069108 0.842663 0.775815 Na\n0.834565 0.077559 0.533231 Na\n0.077559 0.834565 0.033231 Na\n0.502828 0.172023 0.350063 Na\n0.172023 0.502828 0.850063 Na\n0.132151 0.543118 0.339845 Lu\n0.543118 0.132151 0.839845 Lu\n0.572773 0.611538 0.449081 Lu\n0.611538 0.572773 0.949081 Lu\n0.223310 0.249711 0.370185 C\n0.249711 0.223310 0.870185 C\n0.452340 0.836022 0.216629 C\n0.836022 0.452340 0.716629 C\n0.842940 0.481722 0.456123 C\n0.481722 0.842940 0.956123 C\n0.221476 0.231195 0.613715 C\n0.231195 0.221476 0.113715 C\n0.449383 0.852309 0.723352 C\n0.852309 0.449383 0.223352 C\n0.444990 0.832791 0.458457 C\n0.832791 0.444990 0.958457 C\n0.398217 0.401025 0.358739 O\n0.401025 0.398217 0.858739 O\n0.378471 0.403087 0.581001 O\n0.403087 0.378471 0.081001 O\n0.089829 0.269083 0.372474 O\n0.269083 0.089829 0.872474 O\n0.326147 0.649128 0.451918 O\n0.649128 0.326147 0.951918 O\n0.372341 0.655819 0.217785 O\n0.655819 0.372341 0.717785 O\n0.185229 0.087187 0.377907 O\n0.087187 0.185229 0.877907 O\n0.879741 0.370963 0.489657 O\n0.370963 0.879741 0.989657 O\n0.386019 0.920630 0.488360 O\n0.920630 0.386019 0.988360 O\n0.620711 0.904912 0.434744 O\n0.904912 0.620711 0.934744 O\n0.355240 0.870208 0.272688 O\n0.870208 0.355240 0.772688 O\n0.401205 0.700512 0.695725 O\n0.700512 0.401205 0.195725 O\n0.985285 0.648429 0.407200 O\n0.648429 0.985285 0.907200 O\n0.064502 0.207948 0.628198 O\n0.207948 0.064502 0.128198 O\n0.334501 0.851938 0.788770 O\n0.851938 0.334501 0.288770 O\n0.227025 0.091540 0.631319 O\n0.091540 0.227025 0.131319 O\n0.674038 0.430987 0.465440 O\n0.430987 0.674038 0.965440 O\n0.613109 0.967171 0.165819 O\n0.967171 0.613109 0.665819 O\n0.613567 0.016332 0.692801 O\n0.016332 0.613567 0.192800 O\n0.765519 0.766716 0.542353 F\n0.766716 0.765519 0.042353 F\n0.752883 0.759458 0.311744 F\n0.759458 0.752883 0.811744 F\n",
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{
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{
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{
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"structure_string": "Er2 Co12 P7\n1.0\n4.495792 -7.786939 0.000000\n4.495792 7.786939 0.000000\n0.000000 0.000000 3.576747\nEr Co P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.119094 0.846006 0.000000 Co\n0.382689 0.435591 0.500000 Co\n0.726912 0.880906 0.000000 Co\n0.564409 0.947098 0.500000 Co\n0.234104 0.102393 0.500000 Co\n0.868289 0.765896 0.500000 Co\n0.897607 0.131711 0.500000 Co\n0.939698 0.374385 0.000000 Co\n0.625615 0.565313 0.000000 Co\n0.434687 0.060302 0.000000 Co\n0.052902 0.617311 0.500000 Co\n0.153994 0.273088 0.000000 Co\n0.000000 0.000000 0.000000 P\n0.596836 0.708821 0.500000 P\n0.706378 0.113410 0.000000 P\n0.886590 0.592968 0.000000 P\n0.407032 0.293622 0.000000 P\n0.291179 0.888015 0.500000 P\n0.111985 0.403164 0.500000 P\n",
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}