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{
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{
"id": "mp-5396",
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"structure_string": "Mn1 Co2 Sb1\n1.0\n0.000000 3.011613 3.011613\n3.011613 0.000000 3.011613\n3.011613 3.011613 0.000000\nMn Co Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "mp-972249",
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"structure_string": "Sr6 Bi2\n1.0\n3.892973 -6.742828 0.000000\n3.892973 6.742828 0.000000\n0.000000 0.000000 6.296381\nSr Bi\n6 2\ndirect\n0.171171 0.342341 0.250000 Sr\n0.657659 0.828829 0.250000 Sr\n0.171171 0.828829 0.250000 Sr\n0.828829 0.657659 0.750000 Sr\n0.342341 0.171171 0.750000 Sr\n0.828829 0.171171 0.750000 Sr\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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"elements": [
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{
"id": "mp-775414",
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"structure_string": "Mg1 Cr7 S12 O48\n1.0\n8.297586 0.001072 -0.002244\n-4.150500 2.392985 7.441624\n4.145221 -11.985567 7.445358\nMg Cr S O\n1 7 12 48\ndirect\n0.357663 0.392859 0.678160 Mg\n0.152732 0.376292 0.075053 Cr\n0.354222 0.889415 0.178178 Cr\n0.150071 0.878101 0.574775 Cr\n0.643413 0.608464 0.323204 Cr\n0.848724 0.122374 0.424493 Cr\n0.645156 0.110888 0.820264 Cr\n0.848459 0.623326 0.924385 Cr\n0.041229 0.021234 0.231535 S\n0.040720 0.523588 0.729761 S\n0.461709 0.876021 0.374014 S\n0.538226 0.621585 0.126052 S\n0.251769 0.271201 0.478092 S\n0.251478 0.768879 0.979130 S\n0.748939 0.231626 0.019764 S\n0.750210 0.732117 0.520500 S\n0.460874 0.377805 0.875469 S\n0.539390 0.121979 0.625189 S\n0.958356 0.478345 0.268674 S\n0.956829 0.978599 0.769480 S\n0.297417 0.866986 0.054404 O\n0.107440 0.664113 0.257601 O\n0.013451 0.131559 0.163583 O\n0.009366 0.633764 0.663246 O\n0.378443 0.924463 0.307896 O\n0.026574 0.071068 0.326643 O\n0.019413 0.567808 0.827384 O\n0.326145 0.818501 0.476455 O\n0.348110 0.459371 0.141968 O\n0.346448 0.959296 0.640168 O\n0.045645 0.211981 0.489349 O\n0.046142 0.710393 0.991909 O\n0.509971 0.769166 0.149436 O\n0.485116 0.725855 0.350388 O\n0.239459 0.046516 0.189127 O\n0.234690 0.547634 0.689824 O\n0.673147 0.680789 0.023430 O\n0.384146 0.382344 0.377540 O\n0.382322 0.886721 0.880726 O\n0.296618 0.366825 0.552495 O\n0.106456 0.159553 0.757987 O\n0.625529 0.578025 0.190998 O\n0.280998 0.115669 0.487252 O\n0.285000 0.617844 0.987153 O\n0.716204 0.383057 0.011916 O\n0.716871 0.884077 0.509314 O\n0.378960 0.426503 0.811507 O\n0.891701 0.835188 0.244717 O\n0.702380 0.633349 0.444813 O\n0.616928 0.113839 0.118085 O\n0.622875 0.620472 0.618004 O\n0.327211 0.314221 0.979712 O\n0.760087 0.452854 0.309660 O\n0.756475 0.950799 0.810676 O\n0.514222 0.269084 0.647407 O\n0.490233 0.230360 0.851245 O\n0.959905 0.794571 0.503377 O\n0.954058 0.289281 0.007700 O\n0.654493 0.035357 0.357479 O\n0.653433 0.537626 0.860729 O\n0.674311 0.176991 0.522225 O\n0.977732 0.432038 0.172063 O\n0.972224 0.928328 0.673636 O\n0.621184 0.069083 0.691204 O\n0.983474 0.366027 0.336254 O\n0.979547 0.862510 0.836768 O\n0.887710 0.337846 0.742696 O\n0.703564 0.134351 0.944109 O\n",
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"formula_full": "Mg1 Cr7 S12 O48",
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"energy": -493.699941,
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"spacegroup": 1
},
{
"id": "mp-1073224",
"created_at": "2022-09-04T14:46:58.029998Z",
"structure_string": "Mg8 Si12\n1.0\n2.064116 5.136380 0.000000\n-2.064116 5.136380 0.000000\n0.000000 0.953892 17.313912\nMg Si\n8 12\ndirect\n0.138963 0.138963 0.976983 Mg\n0.345819 0.345819 0.539528 Mg\n0.973012 0.973012 0.811955 Mg\n0.610879 0.610879 0.673447 Mg\n0.654181 0.654181 0.460472 Mg\n0.861037 0.861037 0.023017 Mg\n0.389121 0.389121 0.326553 Mg\n0.026988 0.026988 0.188045 Mg\n0.277320 0.277320 0.835153 Si\n0.910951 0.910951 0.661276 Si\n0.650469 0.650469 0.840887 Si\n0.300286 0.300286 0.697087 Si\n0.927576 0.927576 0.444850 Si\n0.545617 0.545617 0.073691 Si\n0.699714 0.699714 0.302913 Si\n0.722680 0.722680 0.164847 Si\n0.089049 0.089049 0.338724 Si\n0.349531 0.349531 0.159113 Si\n0.454383 0.454383 0.926309 Si\n0.072424 0.072424 0.555150 Si\n",
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{
"id": "mp-1188395",
"created_at": "2022-09-04T14:46:58.031040Z",
"structure_string": "K2 Li4 H6 O6\n1.0\n0.000000 -5.164591 0.000000\n-5.622994 0.000000 1.346048\n-0.035391 0.000000 -6.322274\nK Li H O\n2 4 6 6\ndirect\n0.750000 0.843682 0.744420 K\n0.250000 0.156318 0.255580 K\n0.495220 0.346507 0.822667 Li\n0.995220 0.653493 0.177333 Li\n0.504780 0.653493 0.177333 Li\n0.004780 0.346507 0.822667 Li\n0.750000 0.229867 0.113558 H\n0.250000 0.770133 0.886442 H\n0.750000 0.018979 0.337620 H\n0.250000 0.981021 0.662380 H\n0.750000 0.379275 0.465617 H\n0.250000 0.620725 0.534383 H\n0.750000 0.384810 0.073881 O\n0.250000 0.615190 0.926119 O\n0.750000 0.916711 0.191240 O\n0.250000 0.083289 0.808760 O\n0.750000 0.318903 0.596442 O\n0.250000 0.681097 0.403558 O\n",
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"formula_full": "K2 Li4 H6 O6",
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{
"id": "mp-684675",
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"structure_string": "V12 P7\n1.0\n4.656492 -8.065281 0.000000\n4.656492 8.065281 0.000000\n0.000000 0.000000 3.224060\nV P\n12 7\ndirect\n0.198728 0.993351 0.000000 V\n0.132349 0.621507 0.000000 V\n0.006649 0.205377 0.000000 V\n0.489158 0.867651 0.000000 V\n0.265106 0.251724 0.500000 V\n0.378493 0.510842 0.000000 V\n0.794623 0.801272 0.000000 V\n0.626360 0.497349 0.500000 V\n0.502651 0.129011 0.500000 V\n0.986617 0.734894 0.500000 V\n0.870989 0.373640 0.500000 V\n0.748276 0.013383 0.500000 V\n0.283949 0.841267 0.500000 P\n0.158733 0.442683 0.500000 P\n0.557317 0.716051 0.500000 P\n0.462486 0.291217 0.000000 P\n0.000000 0.000000 0.500000 P\n0.828731 0.537514 0.000000 P\n0.708783 0.171269 0.000000 P\n",
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{
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"structure_string": "Nd1 Dy1 Co4 O12\n1.0\n0.000000 3.710984 3.742937\n0.000000 -3.710984 3.742937\n7.483191 0.000000 0.000000\nNd Dy Co O\n1 1 4 12\ndirect\n0.025326 0.025326 -0.000000 Nd\n0.473610 0.473610 0.500000 Dy\n0.504536 0.993100 0.748350 Co\n0.504536 0.993100 0.251650 Co\n0.993100 0.504536 0.251650 Co\n0.993100 0.504536 0.748350 Co\n0.779311 0.221430 0.749521 O\n0.221430 0.779311 0.749521 O\n0.221430 0.779311 0.250479 O\n0.779311 0.221430 0.250479 O\n0.707156 0.707156 0.701207 O\n0.277751 0.277751 0.780175 O\n0.277751 0.277751 0.219825 O\n0.707156 0.707156 0.298793 O\n0.551288 0.966599 -0.000000 O\n0.469888 0.048622 0.500000 O\n0.966599 0.551288 -0.000000 O\n0.048622 0.469888 0.500000 O\n",
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{
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"structure_string": "Li6 Re2\n1.0\n2.707558 -4.689629 0.000000\n2.707558 4.689629 0.000000\n0.000000 0.000000 4.517163\nLi Re\n6 2\ndirect\n0.169600 0.339199 0.250000 Li\n0.660801 0.830400 0.250000 Li\n0.169600 0.830400 0.250000 Li\n0.830400 0.660801 0.750000 Li\n0.339199 0.169600 0.750000 Li\n0.830400 0.169600 0.750000 Li\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n",
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{
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{
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{
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"elements": [
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"formula_full": "K16 Y8 Hf8 P24 O96",
"formula_reduced": "K2YHf(PO4)3",
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"updated_at": "2021-11-28T01:37:47.077000Z",
"spacegroup": 1
},
{
"id": "mp-1210913",
"created_at": "2022-09-04T14:46:58.109900Z",
"structure_string": "Li8 Ni4 Ge4 O16\n1.0\n0.000000 0.000000 -5.054775\n0.000000 -6.470747 0.000000\n-11.004249 0.000000 0.000000\nLi Ni Ge O\n8 4 4 16\ndirect\n0.821733 0.001570 0.911657 Li\n0.178267 0.998430 0.088343 Li\n0.321733 0.998430 0.588343 Li\n0.178267 0.501570 0.088343 Li\n0.678267 0.001570 0.411657 Li\n0.821733 0.498430 0.911657 Li\n0.678267 0.498430 0.411657 Li\n0.321733 0.501570 0.588343 Li\n0.819195 0.750000 0.662909 Ni\n0.180805 0.250000 0.337091 Ni\n0.319195 0.250000 0.837091 Ni\n0.680805 0.750000 0.162909 Ni\n0.329130 0.750000 0.835378 Ge\n0.670870 0.250000 0.164622 Ge\n0.829130 0.250000 0.664622 Ge\n0.170870 0.750000 0.335378 Ge\n0.719692 0.478340 0.590515 O\n0.280308 0.521660 0.409484 O\n0.219692 0.521660 0.909485 O\n0.280308 0.978340 0.409484 O\n0.780308 0.478340 0.090515 O\n0.719692 0.021660 0.590515 O\n0.780308 0.021660 0.090515 O\n0.219692 0.978340 0.909485 O\n0.213554 0.750000 0.681823 O\n0.786446 0.250000 0.318177 O\n0.713554 0.250000 0.818177 O\n0.286446 0.750000 0.181823 O\n0.682956 0.750000 0.833442 O\n0.317044 0.250000 0.166558 O\n0.182956 0.250000 0.666558 O\n0.817044 0.750000 0.333442 O\n",
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"formula_full": "Li8 Ni4 Ge4 O16",
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"spacegroup": 62
}
]
}