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"results": [
{
"id": "mp-767091",
"created_at": "2022-09-04T14:48:19.771367Z",
"structure_string": "Li1 Nb1 Sn3 P6 O24\n1.0\n7.858792 -4.386222 0.000000\n7.858792 4.386222 0.000000\n5.410714 0.000000 7.191921\nLi Nb Sn P O\n1 1 3 6 24\ndirect\n0.006712 0.006712 0.006712 Li\n0.855689 0.855689 0.855689 Nb\n0.146194 0.146194 0.146194 Sn\n0.358533 0.358533 0.358533 Sn\n0.643145 0.643145 0.643145 Sn\n0.037914 0.454614 0.752239 P\n0.454614 0.752239 0.037914 P\n0.752239 0.037914 0.454614 P\n0.251628 0.962106 0.540050 P\n0.540050 0.251628 0.962106 P\n0.962106 0.540050 0.251628 P\n0.132191 0.518054 0.272104 O\n0.272104 0.132191 0.518054 O\n0.061316 0.271103 0.920747 O\n0.518054 0.272104 0.132191 O\n0.215686 0.445173 0.581925 O\n0.995163 0.621226 0.798891 O\n0.271103 0.920747 0.061316 O\n0.445173 0.581925 0.215686 O\n0.581925 0.215686 0.445173 O\n0.213897 0.988211 0.378605 O\n0.078764 0.933519 0.722893 O\n0.378605 0.213897 0.988211 O\n0.621226 0.798891 0.995163 O\n0.920747 0.061316 0.271103 O\n0.798891 0.995163 0.621226 O\n0.417046 0.783685 0.565172 O\n0.565172 0.417046 0.783685 O\n0.722893 0.078764 0.933519 O\n0.988211 0.378605 0.213897 O\n0.783685 0.565172 0.417046 O\n0.481943 0.721680 0.872184 O\n0.933519 0.722893 0.078764 O\n0.721680 0.872184 0.481943 O\n0.872184 0.481943 0.721680 O\n",
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{
"id": "mp-1094275",
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"structure_string": "Mg2 Ti4\n1.0\n1.454183 -7.957711 0.000000\n1.454183 7.957711 0.000000\n0.000000 0.000000 4.871784\nMg Ti\n2 4\ndirect\n0.447161 0.552839 0.250000 Mg\n0.552839 0.447161 0.750000 Mg\n0.126941 0.873059 0.250000 Ti\n0.774805 0.225195 0.250000 Ti\n0.225195 0.774805 0.750000 Ti\n0.873059 0.126941 0.750000 Ti\n",
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},
{
"id": "mp-29696",
"created_at": "2022-09-04T14:48:15.805912Z",
"structure_string": "K8 Sb4 O6\n1.0\n3.184852 -5.516325 0.000000\n3.184852 5.516325 0.000000\n0.000000 0.000000 14.584734\nK Sb O\n8 4 6\ndirect\n0.000000 0.000000 0.266876 K\n0.333333 0.666667 0.393545 K\n0.333333 0.666667 0.055141 K\n0.666667 0.333333 0.555141 K\n0.000000 0.000000 0.502822 K\n0.000000 0.000000 0.002822 K\n0.666667 0.333333 0.893545 K\n0.000000 0.000000 0.766876 K\n0.333333 0.666667 0.640080 Sb\n0.666667 0.333333 0.140080 Sb\n0.666667 0.333333 0.329679 Sb\n0.333333 0.666667 0.829679 Sb\n0.821998 0.643996 0.390085 O\n0.178002 0.821998 0.890085 O\n0.643996 0.821998 0.890085 O\n0.356004 0.178002 0.390085 O\n0.821998 0.178002 0.390085 O\n0.178002 0.356004 0.890085 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.9027096723033754,
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"volume": 512.4690114015398,
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"formula_full": "K8 Sb4 O6",
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"spacegroup": 186
},
{
"id": "mp-1190916",
"created_at": "2022-09-04T14:48:22.646056Z",
"structure_string": "Ag2 Te3 Mo3 O16\n1.0\n5.775109 5.253162 0.000000\n-5.775109 5.253162 0.000000\n0.000000 4.611362 5.973648\nAg Te Mo O\n2 3 3 16\ndirect\n0.096037 0.903963 0.500000 Ag\n0.532189 0.467811 0.000000 Ag\n0.593987 0.406013 0.500000 Te\n0.977463 0.469843 0.998535 Te\n0.530157 0.022537 0.001465 Te\n0.615577 0.937577 0.466966 Mo\n0.062423 0.384423 0.533034 Mo\n0.999498 0.000502 0.000000 Mo\n0.865120 0.457620 0.437878 O\n0.542380 0.134880 0.562122 O\n0.718230 0.489998 0.162083 O\n0.510002 0.281770 0.837917 O\n0.938534 0.521931 0.753546 O\n0.478069 0.061466 0.246454 O\n0.878881 0.183344 0.159330 O\n0.816656 0.121119 0.840670 O\n0.749684 0.865800 0.609153 O\n0.134200 0.250316 0.390847 O\n0.394357 0.738803 0.650266 O\n0.261197 0.605643 0.349734 O\n0.737294 0.832648 0.259664 O\n0.167352 0.262706 0.740336 O\n0.149637 0.961557 0.127306 O\n0.038443 0.850363 0.872694 O\n",
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"elements": [
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],
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"formula_full": "Ag2 Te3 Mo3 O16",
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"energy": -164.36909351999998,
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"spacegroup": 5
},
{
"id": "mp-568400",
"created_at": "2022-09-04T14:48:19.789371Z",
"structure_string": "Sc2 Al6 C6\n1.0\n1.682130 -2.913535 0.000000\n1.682130 2.913535 0.000000\n0.000000 0.000000 16.785589\nSc Al C\n2 6 6\ndirect\n0.000000 0.000000 0.001139 Sc\n0.000000 0.000000 0.501139 Sc\n0.333333 0.666667 0.371786 Al\n0.666667 0.333333 0.629979 Al\n0.666667 0.333333 0.871786 Al\n0.333333 0.666667 0.756681 Al\n0.333333 0.666667 0.129979 Al\n0.666667 0.333333 0.256681 Al\n0.333333 0.666667 0.250109 C\n0.666667 0.333333 0.750109 C\n0.666667 0.333333 0.410440 C\n0.333333 0.666667 0.910440 C\n0.666667 0.333333 0.083866 C\n0.333333 0.666667 0.583866 C\n",
"nsites": 14,
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],
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"density": 3.268639916700071,
"density_atomic": 0.08509061430328657,
"volume": 164.5304845267671,
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"formula_full": "Sc2 Al6 C6",
"formula_reduced": "Sc(AlC)3",
"formula_anonymous": "AB3C3",
"energy": -95.35010058,
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{
"id": "mp-768990",
"created_at": "2022-09-04T14:48:15.757108Z",
"structure_string": "Li28 Nb4 S24\n1.0\n10.181929 0.000000 0.000000\n0.000000 10.181929 0.000000\n0.000000 0.000000 10.181929\nLi Nb S\n28 4 24\ndirect\n0.021699 0.835172 0.677525 Li\n0.010273 0.281062 0.190304 Li\n0.115897 0.615897 0.884103 Li\n0.164828 0.177525 0.478301 Li\n0.177525 0.478301 0.164828 Li\n0.190304 0.010273 0.281062 Li\n0.218938 0.809696 0.510273 Li\n0.281062 0.190304 0.010273 Li\n0.309696 0.989727 0.781062 Li\n0.322475 0.521699 0.664828 Li\n0.335172 0.822475 0.978301 Li\n0.384103 0.384103 0.384103 Li\n0.489727 0.718938 0.690304 Li\n0.478301 0.164828 0.177525 Li\n0.521699 0.664828 0.322475 Li\n0.510273 0.218938 0.809696 Li\n0.615897 0.884103 0.115897 Li\n0.664828 0.322475 0.521699 Li\n0.677525 0.021699 0.835172 Li\n0.690304 0.489727 0.718938 Li\n0.718938 0.690304 0.489727 Li\n0.781062 0.309696 0.989727 Li\n0.809696 0.510273 0.218938 Li\n0.822475 0.978301 0.335172 Li\n0.835172 0.677525 0.021699 Li\n0.884103 0.115897 0.615897 Li\n0.989727 0.781062 0.309696 Li\n0.978301 0.335172 0.822475 Li\n0.008613 0.491387 0.508613 Nb\n0.491387 0.508613 0.008613 Nb\n0.508613 0.008613 0.491387 Nb\n0.991387 0.991387 0.991387 Nb\n0.026349 0.973651 0.473651 S\n0.111465 0.122289 0.853958 S\n0.122289 0.853958 0.111465 S\n0.137605 0.362395 0.637605 S\n0.146042 0.611465 0.377711 S\n0.255486 0.755486 0.744514 S\n0.244514 0.244514 0.244514 S\n0.353958 0.388535 0.877711 S\n0.362395 0.637605 0.137605 S\n0.377711 0.146042 0.611465 S\n0.388535 0.877711 0.353958 S\n0.473651 0.026349 0.973651 S\n0.526349 0.526349 0.526349 S\n0.611465 0.377711 0.146042 S\n0.622289 0.646042 0.888535 S\n0.637605 0.137605 0.362395 S\n0.646042 0.888535 0.622289 S\n0.755486 0.744514 0.255486 S\n0.744514 0.255486 0.755486 S\n0.853958 0.111465 0.122289 S\n0.862395 0.862395 0.862395 S\n0.877711 0.353958 0.388535 S\n0.888535 0.622289 0.646042 S\n0.973651 0.473651 0.026349 S\n",
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{
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"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.593737 0.000000 0.000000\n0.000000 6.942367 0.000000\n0.000000 0.000000 15.597305\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629079 Ba\n0.000000 0.250000 0.870921 Ba\n0.500000 0.250000 0.370921 Ba\n0.000000 0.750000 0.129079 Ba\n0.000000 0.750000 0.390565 Zn\n0.500000 0.250000 0.109435 Zn\n0.000000 0.250000 0.609435 Zn\n0.500000 0.750000 0.890565 Zn\n0.853809 0.473644 0.700128 Cl\n0.353809 0.526356 0.799872 Cl\n0.646191 0.973644 0.799872 Cl\n0.146191 0.026356 0.700128 Cl\n0.146191 0.526356 0.299872 Cl\n0.646191 0.473644 0.200128 Cl\n0.353809 0.026356 0.200128 Cl\n0.853809 0.973644 0.299872 Cl\n0.754132 0.592931 0.962389 Cl\n0.254132 0.407069 0.537611 Cl\n0.745868 0.092931 0.537611 Cl\n0.245868 0.907069 0.962389 Cl\n0.245868 0.407069 0.037611 Cl\n0.745868 0.592931 0.462389 Cl\n0.254132 0.907069 0.462389 Cl\n0.754132 0.092931 0.037611 Cl\n",
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{
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"structure_string": "Ti6 Sn2\n1.0\n2.956091 -5.120100 0.000000\n2.956091 5.120100 0.000000\n0.000000 0.000000 4.756222\nTi Sn\n6 2\ndirect\n0.835749 0.164251 0.250000 Ti\n0.835749 0.671497 0.250000 Ti\n0.328503 0.164251 0.250000 Ti\n0.164251 0.835749 0.750000 Ti\n0.164251 0.328503 0.750000 Ti\n0.671497 0.835749 0.750000 Ti\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
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{
"id": "mp-769364",
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"structure_string": "Dy2 Bi6 O12\n1.0\n4.834387 -5.072564 0.000000\n4.834387 5.072564 0.000000\n-0.488087 0.000000 6.990277\nDy Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.553379 0.068145 0.250573 Bi\n0.068145 0.250573 0.553379 Bi\n0.749427 0.446621 0.931855 Bi\n0.250573 0.553379 0.068145 Bi\n0.931855 0.749427 0.446621 Bi\n0.446621 0.931855 0.749427 Bi\n0.691548 0.072575 0.925033 O\n0.927425 0.074967 0.308452 O\n0.400237 0.187872 0.526193 O\n0.074967 0.308452 0.927425 O\n0.526193 0.400237 0.187872 O\n0.812128 0.473807 0.599763 O\n0.187872 0.526193 0.400237 O\n0.473807 0.599763 0.812128 O\n0.925033 0.691548 0.072575 O\n0.599763 0.812128 0.473807 O\n0.072575 0.925033 0.691548 O\n0.308452 0.927425 0.074967 O\n",
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{
"id": "mp-753541",
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"structure_string": "Li2 Cu2 F8\n1.0\n-2.616937 2.616937 4.886210\n2.616937 -2.616937 4.886210\n2.616937 2.616937 -4.886210\nLi Cu F\n2 2 8\ndirect\n0.750000 0.750000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.453577 0.302410 0.500000 F\n0.953577 0.453577 0.151167 F\n0.197590 0.046423 0.500000 F\n0.302410 0.802410 0.848833 F\n0.697590 0.197590 0.151167 F\n0.802410 0.953577 0.500000 F\n0.046423 0.546423 0.848833 F\n0.546423 0.697590 0.500000 F\n",
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}