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"results": [
{
"id": "mp-1047462",
"created_at": "2022-09-04T14:42:01.410811Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n-2.967507 2.967507 4.066399\n2.967507 -2.967507 4.066399\n2.967507 2.967507 -4.066399\nZn Ni O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.875000 0.625000 0.250000 Ni\n0.375000 0.625000 0.750000 Ni\n0.375000 0.125000 0.750000 Ni\n0.375000 0.625000 0.250000 Ni\n0.133851 0.881556 0.293426 O\n0.118444 0.411870 0.252295 O\n0.159575 0.866149 0.747705 O\n0.161870 0.409575 0.793426 O\n0.590425 0.383851 0.752295 O\n0.631556 0.838130 0.247705 O\n0.588130 0.840425 0.706574 O\n0.616149 0.368444 0.206574 O\n",
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{
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"formula_full": "Tl6 Ir2",
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},
{
"id": "mp-1206089",
"created_at": "2022-09-04T14:42:01.432381Z",
"structure_string": "Tb2 Si3 Ir3\n1.0\n2.785336 -0.238807 0.916455\n-0.039644 3.313816 0.983882\n5.696751 8.721655 19.453722\nTb Si Ir\n2 3 3\ndirect\n0.538543 0.490242 0.752482 Tb\n0.452496 0.507087 0.248413 Tb\n0.356357 0.384365 0.404222 Si\n0.637820 0.616147 0.595658 Si\n0.484410 0.497366 0.000807 Si\n0.497663 0.609620 0.097914 Ir\n0.512656 0.395903 0.900693 Ir\n0.520055 0.499270 0.499813 Ir\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ir-Si-Tb",
"density": 11.905136555232893,
"density_atomic": 0.0586003024055666,
"volume": 136.51806682895307,
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"formula_full": "Tb2 Si3 Ir3",
"formula_reduced": "Tb2(SiIr)3",
"formula_anonymous": "A2B3C3",
"energy": -55.86777057,
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"updated_at": "2021-11-28T01:35:38.930000Z",
"spacegroup": 6
},
{
"id": "mp-863436",
"created_at": "2022-09-04T14:42:01.437508Z",
"structure_string": "Co8 Te16 O40\n1.0\n8.727002 0.000000 0.000000\n0.000000 8.727002 0.000000\n0.000000 0.000000 12.985891\nCo Te O\n8 16 40\ndirect\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.750000 Co\n0.500000 0.000000 0.250000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.750000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.250000 Co\n0.000000 0.500000 0.500000 Co\n0.289436 0.317657 0.133027 Te\n0.289436 0.682343 0.366973 Te\n0.317657 0.710564 0.866973 Te\n0.317657 0.289436 0.633027 Te\n0.682343 0.289436 0.866973 Te\n0.682343 0.710564 0.633027 Te\n0.710564 0.317657 0.366973 Te\n0.710564 0.682343 0.133027 Te\n0.789436 0.182343 0.133027 Te\n0.789436 0.817657 0.366973 Te\n0.817657 0.789436 0.866973 Te\n0.817657 0.210564 0.633027 Te\n0.182343 0.789436 0.633027 Te\n0.182343 0.210564 0.866973 Te\n0.210564 0.182343 0.366973 Te\n0.210564 0.817657 0.133027 Te\n0.273701 0.876340 0.296880 O\n0.273701 0.123660 0.203120 O\n0.305033 0.194967 0.000000 O\n0.305033 0.805033 0.500000 O\n0.355853 0.924713 0.885824 O\n0.355853 0.075287 0.614176 O\n0.376340 0.226299 0.796880 O\n0.376340 0.773701 0.703120 O\n0.424713 0.855853 0.114176 O\n0.424713 0.144147 0.385824 O\n0.575287 0.855853 0.385824 O\n0.575287 0.144147 0.114176 O\n0.623660 0.773701 0.796880 O\n0.623660 0.226299 0.703120 O\n0.644147 0.075287 0.885824 O\n0.644147 0.924713 0.614176 O\n0.694967 0.805033 0.000000 O\n0.694967 0.194967 0.500000 O\n0.726299 0.876340 0.203120 O\n0.726299 0.123660 0.296880 O\n0.773701 0.376340 0.203120 O\n0.773701 0.623660 0.296880 O\n0.805033 0.305033 0.000000 O\n0.805033 0.694967 0.500000 O\n0.855853 0.424713 0.614176 O\n0.855853 0.575287 0.885824 O\n0.876340 0.273701 0.796880 O\n0.876340 0.726299 0.703120 O\n0.924713 0.355853 0.385824 O\n0.924713 0.644147 0.114176 O\n0.075287 0.355853 0.114176 O\n0.075287 0.644147 0.385824 O\n0.123660 0.273701 0.703120 O\n0.123660 0.726299 0.796880 O\n0.144147 0.424713 0.885824 O\n0.144147 0.575287 0.614176 O\n0.194967 0.305033 0.500000 O\n0.194967 0.694967 0.000000 O\n0.226299 0.376340 0.296880 O\n0.226299 0.623660 0.203120 O\n",
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"elements": [
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],
"chemical_system": "Co-O-Te",
"density": 5.293914080200504,
"density_atomic": 0.06471099383457418,
"volume": 989.0127814078741,
"volume_molar": 9.306209661058327,
"formula_full": "Co8 Te16 O40",
"formula_reduced": "CoTe2O5",
"formula_anonymous": "AB2C5",
"energy": -397.27712803,
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"updated_at": "2021-11-28T01:35:43.194000Z",
"spacegroup": 133
},
{
"id": "mp-568151",
"created_at": "2022-09-04T14:42:01.450872Z",
"structure_string": "Ti10 Ge6\n1.0\n3.795359 -6.573755 0.000000\n3.795359 6.573755 0.000000\n0.000000 0.000000 5.226720\nTi Ge\n10 6\ndirect\n0.000000 0.749066 0.750000 Ti\n0.250934 0.250934 0.750000 Ti\n0.000000 0.250934 0.250000 Ti\n0.333333 0.666667 0.500000 Ti\n0.749066 0.000000 0.750000 Ti\n0.749066 0.749066 0.250000 Ti\n0.333333 0.666667 0.000000 Ti\n0.250934 0.000000 0.250000 Ti\n0.666667 0.333333 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.610443 0.610443 0.750000 Ge\n0.389557 0.000000 0.750000 Ge\n0.000000 0.610443 0.250000 Ge\n0.610443 0.000000 0.250000 Ge\n0.000000 0.389557 0.750000 Ge\n0.389557 0.389557 0.250000 Ge\n",
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"elements": [
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"chemical_system": "Ge-Ti",
"density": 5.822532877451226,
"density_atomic": 0.06134714779255605,
"volume": 260.81082129691873,
"volume_molar": 9.816496734882815,
"formula_full": "Ti10 Ge6",
"formula_reduced": "Ti5Ge3",
"formula_anonymous": "A3B5",
"energy": -117.82597191,
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},
{
"id": "mp-759323",
"created_at": "2022-09-04T14:42:01.456735Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n6.644183 0.000000 0.000000\n0.000000 10.390821 0.000000\n0.000000 5.149031 9.104637\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.258424 0.093261 0.819047 Na\n0.249627 0.589911 0.334935 Na\n0.000304 0.751692 0.987982 Na\n0.497227 0.754030 0.985725 Na\n0.018837 0.235003 0.497058 Na\n0.997227 0.245970 0.014275 Na\n0.500304 0.248308 0.012018 Na\n0.518837 0.764997 0.502942 Na\n0.758424 0.906739 0.180953 Na\n0.749627 0.410089 0.665065 Na\n0.744666 0.461310 0.186487 Fe\n0.742043 0.972357 0.676206 Fe\n0.244666 0.538690 0.813513 Fe\n0.242043 0.027643 0.323794 Fe\n0.247591 0.397694 0.182559 P\n0.250123 0.890823 0.689847 P\n0.747591 0.602306 0.817441 P\n0.750123 0.109177 0.310153 P\n0.756290 0.083966 0.860240 C\n0.745878 0.581681 0.346603 C\n0.256290 0.916034 0.139760 C\n0.245878 0.418319 0.653397 C\n0.248318 0.851761 0.060422 O\n0.229914 0.362858 0.570020 O\n0.744892 0.663701 0.202591 O\n0.766622 0.162059 0.718067 O\n0.752510 0.940613 0.921541 O\n0.762421 0.438794 0.397121 O\n0.435475 0.484473 0.190771 O\n0.059930 0.485148 0.190434 O\n0.434630 0.958806 0.725135 O\n0.063942 0.971721 0.705258 O\n0.748869 0.602094 0.967500 O\n0.763257 0.111276 0.454587 O\n0.240105 0.722437 0.819894 O\n0.240567 0.237841 0.306655 O\n0.740105 0.277563 0.180106 O\n0.740567 0.762159 0.693345 O\n0.248869 0.397906 0.032500 O\n0.263257 0.888724 0.545413 O\n0.935475 0.515527 0.809229 O\n0.559930 0.514852 0.809566 O\n0.563942 0.028279 0.294742 O\n0.934630 0.041194 0.274865 O\n0.252510 0.059387 0.078459 O\n0.262421 0.561206 0.602879 O\n0.244892 0.336299 0.797409 O\n0.266622 0.837941 0.281933 O\n0.748318 0.148239 0.939578 O\n0.729914 0.637142 0.429980 O\n",
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"formula_full": "Na10 Fe4 P4 C4 O28",
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{
"id": "mp-1046115",
"created_at": "2022-09-04T14:42:01.462333Z",
"structure_string": "Ta8 Zn8 Fe4 O32\n1.0\n-0.006983 5.685872 -1.751339\n-10.624990 -0.023957 -0.009871\n-5.257613 5.684196 8.439281\nTa Zn Fe O\n8 8 4 32\ndirect\n0.041866 0.017840 0.230478 Ta\n0.040830 0.517832 0.230838 Ta\n0.271898 0.732309 0.768655 Ta\n0.272262 0.232349 0.768670 Ta\n0.958252 0.982342 0.768619 Ta\n0.957652 0.481849 0.769029 Ta\n0.728269 0.267671 0.230650 Ta\n0.728048 0.767612 0.231224 Ta\n0.870418 0.832960 0.563167 Zn\n0.870339 0.332947 0.563309 Zn\n0.436024 0.917826 0.434899 Zn\n0.435774 0.417675 0.434966 Zn\n0.128962 0.167277 0.435927 Zn\n0.128681 0.667163 0.436289 Zn\n0.564277 0.082797 0.563781 Zn\n0.564098 0.582625 0.564072 Zn\n0.646669 0.626428 0.000600 Fe\n0.352790 0.875940 0.000496 Fe\n0.647069 0.125607 0.000457 Fe\n0.352067 0.376228 0.000562 Fe\n0.045246 0.395602 0.138810 O\n0.046069 0.894354 0.139699 O\n0.180894 0.854642 0.858766 O\n0.180827 0.354278 0.859043 O\n0.959558 0.604264 0.858931 O\n0.960038 0.104636 0.858676 O\n0.814442 0.144420 0.139471 O\n0.814265 0.645057 0.139224 O\n0.311762 0.144316 0.118994 O\n0.310992 0.644235 0.119845 O\n0.437164 0.610332 0.881392 O\n0.439203 0.110527 0.880043 O\n0.680329 0.860931 0.880363 O\n0.680232 0.359556 0.880728 O\n0.568679 0.393712 0.119208 O\n0.569667 0.894269 0.119207 O\n0.926956 0.106895 0.354068 O\n0.926012 0.606664 0.354569 O\n0.281312 0.143354 0.644411 O\n0.281250 0.643174 0.644637 O\n0.719734 0.856738 0.354506 O\n0.719497 0.356686 0.354220 O\n0.072076 0.893081 0.644733 O\n0.072143 0.393285 0.644659 O\n0.456049 0.126988 0.386638 O\n0.455677 0.626972 0.386701 O\n0.843726 0.123997 0.611296 O\n0.843428 0.623752 0.611762 O\n0.543137 0.873747 0.611685 O\n0.543131 0.373930 0.611363 O\n0.157621 0.876844 0.386705 O\n0.157264 0.376864 0.386699 O\n",
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"formula_full": "Ta8 Zn8 Fe4 O32",
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{
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"structure_string": "Ba1 Hf1 S3\n1.0\n2.893154 -5.011090 0.000000\n2.893154 5.011090 0.000000\n0.000000 0.000000 4.091538\nBa Hf S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n",
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{
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