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{
"id": "mp-1209461",
"created_at": "2022-09-04T14:40:16.130635Z",
"structure_string": "Rb4 W6 Se2 O24\n1.0\n3.686369 -6.384978 0.000000\n3.686369 6.384978 0.000000\n0.000000 0.000000 12.512031\nRb W Se O\n4 6 2 24\ndirect\n0.666667 0.333333 0.546967 Rb\n0.333333 0.666667 0.046967 Rb\n0.666667 0.333333 0.932455 Rb\n0.333333 0.666667 0.432455 Rb\n0.661295 0.827370 0.763863 W\n0.166074 0.338705 0.763863 W\n0.338705 0.172630 0.263863 W\n0.172630 0.833926 0.763863 W\n0.833926 0.661295 0.263863 W\n0.827370 0.166074 0.263863 W\n0.000000 0.000000 0.991541 Se\n0.000000 0.000000 0.491541 Se\n0.751924 0.872628 0.932834 O\n0.120704 0.248076 0.932834 O\n0.248076 0.127372 0.432834 O\n0.127372 0.879296 0.932834 O\n0.879296 0.751924 0.432834 O\n0.872628 0.120704 0.432834 O\n0.454267 0.542221 0.808492 O\n0.087954 0.545733 0.808492 O\n0.545733 0.457779 0.308492 O\n0.457779 0.912046 0.808492 O\n0.912046 0.454267 0.308492 O\n0.542221 0.087954 0.308492 O\n0.598447 0.791873 0.626370 O\n0.193426 0.401553 0.626370 O\n0.401553 0.208127 0.126370 O\n0.208127 0.806574 0.626370 O\n0.806574 0.598447 0.126370 O\n0.791873 0.193426 0.126370 O\n0.872620 0.123091 0.752754 O\n0.250472 0.127380 0.752754 O\n0.127380 0.876909 0.252754 O\n0.876909 0.749528 0.752754 O\n0.749528 0.872620 0.252754 O\n0.123091 0.250472 0.252754 O\n",
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{
"id": "mp-1204608",
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"structure_string": "Tb22 In12 Si8\n1.0\n-5.781712 5.781712 8.136129\n5.781712 -5.781712 8.136129\n5.781712 5.781712 -8.136129\nTb In Si\n22 12 8\ndirect\n0.684621 0.934760 0.250138 Tb\n0.684621 0.434483 0.749862 Tb\n0.934760 0.684621 0.250138 Tb\n0.434483 0.684621 0.749862 Tb\n0.315379 0.065240 0.749862 Tb\n0.315379 0.565517 0.250138 Tb\n0.065240 0.315379 0.749862 Tb\n0.565517 0.315379 0.250138 Tb\n0.899234 0.246526 0.347292 Tb\n0.899234 0.551941 0.652708 Tb\n0.246526 0.899234 0.347292 Tb\n0.551941 0.899234 0.652708 Tb\n0.100766 0.753474 0.652708 Tb\n0.100766 0.448059 0.347292 Tb\n0.753474 0.100766 0.652708 Tb\n0.448059 0.100766 0.347292 Tb\n0.332743 0.332743 0.665485 Tb\n0.667257 0.667257 0.334515 Tb\n0.332743 0.667257 0.000000 Tb\n0.667257 0.332743 0.000000 Tb\n0.832008 0.832008 0.000000 Tb\n0.167992 0.167992 0.000000 Tb\n0.033773 0.033773 0.410593 In\n0.623180 0.623180 0.589407 In\n0.033773 0.623180 0.000000 In\n0.623180 0.033773 0.000000 In\n0.966227 0.966227 0.589407 In\n0.376820 0.376820 0.410593 In\n0.966227 0.376820 0.000000 In\n0.376820 0.966227 0.000000 In\n0.129290 0.129290 0.258580 In\n0.870710 0.870710 0.741420 In\n0.129290 0.870710 0.000000 In\n0.870710 0.129290 0.000000 In\n0.153610 0.500000 0.653610 Si\n0.846390 0.500000 0.346390 Si\n0.500000 0.846390 0.346390 Si\n0.500000 0.153610 0.653610 Si\n0.617054 0.617054 0.000000 Si\n0.382946 0.382946 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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"volume": 1087.9043831242454,
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"formula_full": "Tb22 In12 Si8",
"formula_reduced": "Tb11(In3Si2)2",
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{
"id": "mp-31326",
"created_at": "2022-09-04T14:40:16.146356Z",
"structure_string": "Mg6 In3\n1.0\n4.205042 -7.283347 0.000000\n4.205042 7.283347 0.000000\n0.000000 0.000000 3.431591\nMg In\n6 3\ndirect\n0.290937 0.000000 0.000000 Mg\n0.709063 0.709063 0.000000 Mg\n0.000000 0.290937 0.000000 Mg\n0.629021 0.000000 0.500000 Mg\n0.370979 0.370979 0.500000 Mg\n0.000000 0.629021 0.500000 Mg\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
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"volume": 210.19716545811082,
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"formula_full": "Mg6 In3",
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{
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"created_at": "2022-09-04T14:40:16.153723Z",
"structure_string": "Nd5 Zr3 Ni16 As12\n1.0\n6.418699 -11.117512 0.000000\n6.418699 11.117512 0.000000\n0.000000 0.000000 4.002262\nNd Zr Ni As\n5 3 16 12\ndirect\n0.000000 0.187147 0.500000 Nd\n0.812853 0.812853 0.500000 Nd\n0.187147 0.000000 0.500000 Nd\n0.666667 0.333333 0.000000 Nd\n0.333333 0.666667 0.000000 Nd\n0.000000 0.566267 0.000000 Zr\n0.433733 0.433733 0.000000 Zr\n0.566267 0.000000 0.000000 Zr\n0.000000 0.722291 0.500000 Ni\n0.277709 0.277709 0.500000 Ni\n0.722291 0.000000 0.500000 Ni\n0.804575 0.183358 0.000000 Ni\n0.816642 0.621217 0.000000 Ni\n0.378783 0.195425 0.000000 Ni\n0.183358 0.804575 0.000000 Ni\n0.621217 0.816642 0.000000 Ni\n0.195425 0.378783 0.000000 Ni\n0.881127 0.363863 0.500000 Ni\n0.636137 0.517264 0.500000 Ni\n0.482736 0.118873 0.500000 Ni\n0.363863 0.881127 0.500000 Ni\n0.517264 0.636137 0.500000 Ni\n0.118873 0.482736 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.819225 0.000000 As\n0.180775 0.180775 0.000000 As\n0.819225 0.000000 0.000000 As\n0.695783 0.172084 0.500000 As\n0.827916 0.523699 0.500000 As\n0.476301 0.304217 0.500000 As\n0.172084 0.695783 0.500000 As\n0.523699 0.827916 0.500000 As\n0.304217 0.476301 0.500000 As\n0.000000 0.359582 0.000000 As\n0.640418 0.640418 0.000000 As\n0.359582 0.000000 0.000000 As\n",
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"elements": [
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"volume": 571.2025377284258,
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"formula_full": "Nd5 Zr3 Ni16 As12",
"formula_reduced": "Nd5Zr3(Ni4As3)4",
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"spacegroup": 189
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{
"id": "mp-1692",
"created_at": "2022-09-04T14:40:16.155199Z",
"structure_string": "Cu2 O2\n1.0\n2.933110 0.000000 0.000000\n0.000000 2.933110 0.000000\n0.000000 0.000000 5.133987\nCu O\n2 2\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.750000 O\n0.500000 0.500000 0.250000 O\n",
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"volume": 44.168379512215864,
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"formula_full": "Cu2 O2",
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"energy": -21.86551512,
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},
{
"id": "mp-1009555",
"created_at": "2022-09-04T14:40:16.161239Z",
"structure_string": "Cr1 O2\n1.0\n-2.383065 -2.383065 0.000000\n-2.383065 0.000000 -2.383065\n0.000000 -2.383065 -2.383065\nCr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
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"spacegroup": 225
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{
"id": "mp-757787",
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"structure_string": "Li4 V2 O2 F6\n1.0\n4.896520 2.936921 0.012011\n-4.896598 2.937051 -0.011973\n-0.041220 0.000034 5.225217\nLi V O F\n4 2 2 6\ndirect\n0.346230 0.959316 0.754628 Li\n0.062583 0.652737 0.267821 Li\n0.959316 0.346230 0.745373 Li\n0.652733 0.062580 0.232179 Li\n0.613796 0.613800 0.749999 V\n0.352836 0.352844 0.250011 V\n0.294652 0.512603 0.942724 O\n0.512605 0.294647 0.557268 O\n0.734270 0.995324 0.883986 F\n0.997517 0.271699 0.386929 F\n0.476226 0.730224 0.426532 F\n0.730218 0.476224 0.073471 F\n0.995321 0.734267 0.616015 F\n0.271696 0.997506 0.113066 F\n",
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"formula_full": "Li4 V2 O2 F6",
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{
"id": "mp-1226985",
"created_at": "2022-09-04T14:40:16.163858Z",
"structure_string": "Cd2 In3 Ag3 Te8\n1.0\n6.606447 0.000000 0.000000\n0.000000 6.606447 0.000000\n0.000000 0.000000 12.999350\nCd In Ag Te\n2 3 3 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.249544 In\n0.000000 0.500000 0.750456 In\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.249760 Ag\n0.500000 0.000000 0.750240 Ag\n0.000000 0.000000 0.000000 Ag\n0.752724 0.250923 0.372928 Te\n0.248715 0.754895 0.875272 Te\n0.247276 0.749077 0.372928 Te\n0.751285 0.245105 0.875272 Te\n0.245105 0.248715 0.124728 Te\n0.749077 0.752724 0.627072 Te\n0.754895 0.751285 0.124728 Te\n0.250923 0.247276 0.627072 Te\n",
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"formula_full": "Cd2 In3 Ag3 Te8",
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{
"id": "mp-1143109",
"created_at": "2022-09-04T14:40:16.164436Z",
"structure_string": "Si8 Mo4 O28\n1.0\n3.999356 8.274659 0.000000\n-3.999356 8.274659 0.000000\n0.000000 4.937631 8.820729\nSi Mo O\n8 4 28\ndirect\n0.524236 0.133974 0.652878 Si\n0.133974 0.524236 0.152878 Si\n0.539281 0.186297 0.106691 Si\n0.186297 0.539281 0.606691 Si\n0.866026 0.475764 0.847122 Si\n0.460719 0.813703 0.893309 Si\n0.813703 0.460719 0.393309 Si\n0.475764 0.866026 0.347122 Si\n0.781007 0.218993 0.750000 Mo\n0.218993 0.781007 0.250000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.887221 0.255905 0.371163 O\n0.959353 0.915738 0.390183 O\n0.432292 0.745537 0.082552 O\n0.915738 0.959353 0.890183 O\n0.264829 0.902679 0.352012 O\n0.007883 0.509101 0.683203 O\n0.745537 0.432292 0.582552 O\n0.097321 0.735171 0.147988 O\n0.992117 0.490899 0.316797 O\n0.626460 0.642913 0.328971 O\n0.040647 0.084262 0.609817 O\n0.735171 0.097321 0.647988 O\n0.490899 0.992117 0.816797 O\n0.255905 0.887221 0.871163 O\n0.642913 0.626460 0.828971 O\n0.902679 0.264829 0.852012 O\n0.891890 0.464001 0.998789 O\n0.373540 0.357087 0.671029 O\n0.535999 0.108110 0.501211 O\n0.357087 0.373540 0.171029 O\n0.509101 0.007883 0.183203 O\n0.084262 0.040647 0.109817 O\n0.464001 0.891890 0.498789 O\n0.567708 0.254463 0.917448 O\n0.108110 0.535999 0.001211 O\n0.254463 0.567708 0.417448 O\n0.744095 0.112779 0.128837 O\n0.112779 0.744095 0.628837 O\n",
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{
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{
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{
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}