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{
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"results": [
{
"id": "mp-755819",
"created_at": "2022-09-04T14:45:02.491473Z",
"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n0.493276 5.087032 6.469380\n-0.492324 -5.088341 6.470341\n7.847718 -4.948579 0.001073\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.566214 0.678308 0.098304 Li\n0.066201 0.178315 0.098292 Li\n0.928240 0.816231 0.901676 Li\n0.428244 0.316224 0.901670 Li\n0.504117 0.960185 0.272973 Li\n0.004096 0.460211 0.272966 Li\n0.210167 0.754147 0.727008 Li\n0.710170 0.254150 0.727010 Li\n0.442376 0.315242 0.329831 Fe\n0.065223 0.192312 0.670176 Fe\n0.942392 0.815232 0.329859 Fe\n0.565221 0.692317 0.670172 Fe\n0.703148 0.549012 0.416907 P\n0.203149 0.049019 0.416904 P\n0.799042 0.953170 0.583076 P\n0.299044 0.453163 0.583070 P\n0.735233 0.013248 0.047540 C\n0.235221 0.513259 0.047522 C\n0.763299 0.485257 0.952483 C\n0.263306 0.985248 0.952485 C\n0.880014 0.882850 0.074745 O\n0.380004 0.382862 0.074726 O\n0.632814 0.629967 0.925258 O\n0.132818 0.129962 0.925258 O\n0.384360 0.891016 0.089597 O\n0.884352 0.391023 0.089598 O\n0.140990 0.634367 0.910434 O\n0.641008 0.134350 0.910452 O\n0.699381 0.010686 0.177240 O\n0.199373 0.510692 0.177226 O\n0.760892 0.449476 0.822794 O\n0.260893 0.949471 0.822792 O\n0.579620 0.484001 0.303136 O\n0.079626 0.984001 0.303136 O\n0.733640 0.829971 0.696748 O\n0.233644 0.329958 0.696748 O\n0.796875 0.639308 0.309219 O\n0.296880 0.139312 0.309209 O\n0.889641 0.046581 0.690886 O\n0.389641 0.546580 0.690876 O\n0.644194 0.085869 0.427562 O\n0.144198 0.585862 0.427562 O\n0.835595 0.393967 0.572392 O\n0.335593 0.893982 0.572387 O\n0.589605 0.693354 0.461117 O\n0.089600 0.193363 0.461108 O\n0.943338 0.839474 0.538939 O\n0.443333 0.339469 0.538931 O\n",
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],
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"formula_full": "Li8 Fe4 P4 C4 O28",
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"updated_at": "2021-11-28T01:36:53.741000Z",
"spacegroup": 4
},
{
"id": "mp-653554",
"created_at": "2022-09-04T14:45:01.753887Z",
"structure_string": "Sb16 Te16 O72\n1.0\n5.102776 0.000000 0.000000\n0.000000 14.738632 0.000000\n0.000000 6.812070 21.300015\nSb Te O\n16 16 72\ndirect\n0.187835 0.660070 0.347617 Sb\n0.631379 0.974689 0.177347 Sb\n0.310732 0.282310 0.551152 Sb\n0.868621 0.474689 0.177347 Sb\n0.279923 0.637532 0.055309 Sb\n0.812165 0.339930 0.652383 Sb\n0.131379 0.525311 0.822653 Sb\n0.368621 0.025311 0.822653 Sb\n0.779923 0.862468 0.944691 Sb\n0.720077 0.362468 0.944691 Sb\n0.312165 0.160070 0.347617 Sb\n0.689268 0.717690 0.448848 Sb\n0.687835 0.839930 0.652383 Sb\n0.189268 0.782310 0.551152 Sb\n0.810732 0.217690 0.448848 Sb\n0.220077 0.137532 0.055309 Sb\n0.176594 0.345131 0.078348 Te\n0.898125 0.100205 0.709461 Te\n0.857147 0.444120 0.444521 Te\n0.676594 0.154869 0.921652 Te\n0.159193 0.825919 0.766217 Te\n0.101875 0.899795 0.290539 Te\n0.840807 0.174081 0.233783 Te\n0.601875 0.600205 0.709461 Te\n0.357147 0.055880 0.555479 Te\n0.642853 0.944120 0.444521 Te\n0.823406 0.654869 0.921652 Te\n0.142853 0.555880 0.555479 Te\n0.398125 0.399795 0.290539 Te\n0.340807 0.325919 0.766217 Te\n0.659193 0.674081 0.233783 Te\n0.323406 0.845131 0.078348 Te\n0.358120 0.450520 0.779836 O\n0.593814 0.887922 0.020504 O\n0.977609 0.794130 0.473430 O\n0.901167 0.057380 0.921481 O\n0.633385 0.022797 0.759558 O\n0.133385 0.477203 0.240442 O\n0.419303 0.024378 0.382412 O\n0.967671 0.368005 0.149327 O\n0.093814 0.612078 0.979496 O\n0.043685 0.650901 0.594278 O\n0.641880 0.549480 0.220164 O\n0.622567 0.723356 0.971525 O\n0.992435 0.339619 0.733645 O\n0.115069 0.271258 0.630399 O\n0.598833 0.557380 0.921481 O\n0.877433 0.223356 0.971525 O\n0.998131 0.891291 0.686578 O\n0.615069 0.228742 0.369601 O\n0.001869 0.108709 0.313422 O\n0.507565 0.839619 0.733645 O\n0.492435 0.160381 0.266355 O\n0.498131 0.608709 0.313422 O\n0.604707 0.283138 0.872399 O\n0.892259 0.875120 0.225457 O\n0.956315 0.349099 0.405722 O\n0.104707 0.216862 0.127601 O\n0.866615 0.522797 0.759558 O\n0.401167 0.442620 0.078519 O\n0.456315 0.150901 0.594278 O\n0.866102 0.588102 0.492392 O\n0.543685 0.849099 0.405722 O\n0.892618 0.852762 0.574208 O\n0.919303 0.475622 0.617588 O\n0.366615 0.977203 0.240442 O\n0.384931 0.771258 0.630399 O\n0.141880 0.950520 0.779836 O\n0.107741 0.124880 0.774543 O\n0.501869 0.391291 0.686578 O\n0.180052 0.290278 0.298844 O\n0.055469 0.412072 0.889484 O\n0.895293 0.783138 0.872399 O\n0.884931 0.728742 0.369601 O\n0.444531 0.912072 0.889484 O\n0.122567 0.776644 0.028475 O\n0.580697 0.975622 0.617588 O\n0.522391 0.294130 0.473430 O\n0.319948 0.790278 0.298844 O\n0.467671 0.131995 0.850673 O\n0.395293 0.716862 0.127601 O\n0.906186 0.387922 0.020504 O\n0.607741 0.375120 0.225457 O\n0.607382 0.352762 0.574208 O\n0.133898 0.411898 0.507608 O\n0.080697 0.524378 0.382412 O\n0.377433 0.276644 0.028475 O\n0.392618 0.647238 0.425792 O\n0.633898 0.088102 0.492392 O\n0.944531 0.587928 0.110516 O\n0.406186 0.112078 0.979496 O\n0.022391 0.205870 0.526570 O\n0.858120 0.049480 0.220164 O\n0.680052 0.209722 0.701156 O\n0.555469 0.087928 0.110516 O\n0.107382 0.147238 0.425792 O\n0.477609 0.705870 0.526570 O\n0.819948 0.709722 0.701156 O\n0.392259 0.624880 0.774543 O\n0.032329 0.631995 0.850673 O\n0.532329 0.868005 0.149327 O\n0.098833 0.942620 0.078519 O\n0.366102 0.911898 0.507608 O\n0.007565 0.660381 0.266355 O\n",
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"elements": [
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"volume": 1601.9301999028664,
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"formula_full": "Sb16 Te16 O72",
"formula_reduced": "Sb2Te2O9",
"formula_anonymous": "A2B2C9",
"energy": -635.8322666900001,
"energy_per_atom": -6.113771795096155,
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"spacegroup": 14
},
{
"id": "mp-1074405",
"created_at": "2022-09-04T14:45:01.848329Z",
"structure_string": "Mg8 Si6\n1.0\n4.087814 -5.399244 0.000000\n4.087814 5.399244 0.000000\n-3.043586 0.000000 6.049682\nMg Si\n8 6\ndirect\n0.843323 0.253770 0.386018 Mg\n0.253770 0.386018 0.843323 Mg\n0.500000 0.500000 0.500000 Mg\n0.386018 0.843323 0.253770 Mg\n0.746230 0.613982 0.156677 Mg\n0.000000 0.000000 0.000000 Mg\n0.613982 0.156677 0.746230 Mg\n0.156677 0.746230 0.613982 Mg\n0.451192 0.163742 0.076917 Si\n0.163742 0.076917 0.451192 Si\n0.836258 0.923083 0.548808 Si\n0.548808 0.836258 0.923083 Si\n0.076917 0.451192 0.163742 Si\n0.923083 0.548808 0.836258 Si\n",
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"elements": [
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],
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"density": 2.256902847672082,
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"formula_full": "Mg8 Si6",
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{
"id": "mp-556154",
"created_at": "2022-09-04T14:45:01.903158Z",
"structure_string": "As4 Se4 S12 N20 F24\n1.0\n6.851991 0.000000 0.000000\n0.000000 12.169957 0.000000\n0.000000 1.227111 13.089218\nAs Se S N F\n4 4 12 20 24\ndirect\n0.074317 0.996252 0.398149 As\n0.148879 0.494595 0.904591 As\n0.851121 0.494595 0.404591 As\n0.925683 0.996252 0.898149 As\n0.660334 0.866069 0.224876 Se\n0.657490 0.126135 0.579868 Se\n0.342510 0.126135 0.079868 Se\n0.339666 0.866069 0.724876 Se\n0.184014 0.687303 0.603268 S\n0.339131 0.290017 0.519895 S\n0.660869 0.290017 0.019895 S\n0.657513 0.702070 0.787933 S\n0.184832 0.303745 0.203084 S\n0.422120 0.761347 0.077234 S\n0.342487 0.702070 0.287933 S\n0.422814 0.228755 0.730115 S\n0.577186 0.228755 0.230115 S\n0.815168 0.303745 0.703084 S\n0.815986 0.687303 0.103268 S\n0.577880 0.761347 0.577234 S\n0.489029 0.777770 0.819823 N\n0.497362 0.212051 0.985966 N\n0.609890 0.316283 0.752315 N\n0.503597 0.875725 0.613238 N\n0.148378 0.767683 0.686872 N\n0.684997 0.311710 0.134575 N\n0.496403 0.875725 0.113238 N\n0.503945 0.114977 0.192503 N\n0.688527 0.680710 0.673573 N\n0.390110 0.316283 0.252315 N\n0.510971 0.777770 0.319823 N\n0.153524 0.226768 0.116263 N\n0.608361 0.672617 0.057358 N\n0.391639 0.672617 0.557358 N\n0.311473 0.680710 0.173573 N\n0.502638 0.212051 0.485966 N\n0.315003 0.311710 0.634575 N\n0.496055 0.114977 0.692503 N\n0.846476 0.226768 0.616263 N\n0.851622 0.767683 0.186872 N\n0.937705 0.849956 0.917697 F\n0.065877 0.988382 0.263488 F\n0.648150 0.470135 0.488045 F\n0.919463 0.142642 0.878069 F\n0.850074 0.636105 0.426704 F\n0.351850 0.470135 0.988045 F\n0.062295 0.849956 0.417697 F\n0.934123 0.988382 0.763488 F\n0.331457 0.990826 0.396001 F\n0.668543 0.990826 0.896001 F\n0.690327 0.523818 0.299206 F\n0.080537 0.142642 0.378069 F\n0.012505 0.467043 0.510160 F\n0.309673 0.523818 0.799206 F\n0.923121 0.004633 0.032559 F\n0.944967 0.517331 0.821329 F\n0.853443 0.353053 0.382577 F\n0.149926 0.636105 0.926704 F\n0.076879 0.004633 0.532559 F\n0.987495 0.467043 0.010160 F\n0.186303 0.001595 0.900165 F\n0.055033 0.517331 0.321329 F\n0.146557 0.353053 0.882577 F\n0.813697 0.001595 0.400165 F\n",
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"formula_full": "As4 Se4 S12 N20 F24",
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},
{
"id": "mp-1100497",
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"structure_string": "Li9 Mn7 O16\n1.0\n2.870465 9.740010 0.000000\n-2.870465 9.740010 0.000000\n0.000000 0.610762 5.304141\nLi Mn O\n9 7 16\ndirect\n0.620742 0.129494 0.251683 Li\n0.379258 0.870506 0.748317 Li\n0.129494 0.620742 0.251683 Li\n0.380253 0.380253 0.752212 Li\n0.122276 0.122276 0.256086 Li\n0.877724 0.877724 0.743914 Li\n0.870506 0.379258 0.748317 Li\n0.619747 0.619747 0.247788 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.251272 0.748728 0.500000 Mn\n0.749982 0.749982 0.499547 Mn\n0.250018 0.250018 0.500453 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.748728 0.251272 0.500000 Mn\n0.707757 0.189357 0.838137 O\n0.441506 0.941841 0.395031 O\n0.189357 0.707757 0.838137 O\n0.442159 0.442159 0.398074 O\n0.190336 0.190336 0.898896 O\n0.941768 0.941768 0.389856 O\n0.941841 0.441506 0.395031 O\n0.689653 0.689653 0.899194 O\n0.558494 0.058159 0.604969 O\n0.292243 0.810643 0.161863 O\n0.058159 0.558494 0.604969 O\n0.310347 0.310347 0.100806 O\n0.058232 0.058232 0.610144 O\n0.809664 0.809664 0.101104 O\n0.810643 0.292243 0.161863 O\n0.557841 0.557841 0.601926 O\n",
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],
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"formula_full": "Li9 Mn7 O16",
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"energy": -228.99358038,
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"spacegroup": 12
},
{
"id": "mp-1198133",
"created_at": "2022-09-04T14:45:02.271721Z",
"structure_string": "Y20 Si16\n1.0\n7.673581 0.000000 0.000000\n0.000000 7.480398 0.000000\n0.000000 0.856467 14.646877\nY Si\n20 16\ndirect\n0.319863 0.504016 0.598573 Y\n0.819863 0.995984 0.401427 Y\n0.680137 0.495984 0.401427 Y\n0.180137 0.004016 0.598573 Y\n0.682277 0.520281 0.099364 Y\n0.182277 0.979719 0.900636 Y\n0.317723 0.479719 0.900636 Y\n0.817723 0.020281 0.099364 Y\n0.178253 0.672289 0.121944 Y\n0.678253 0.827711 0.878056 Y\n0.821747 0.327711 0.878056 Y\n0.321747 0.172289 0.121944 Y\n0.165274 0.645523 0.380243 Y\n0.665274 0.854477 0.619757 Y\n0.834726 0.354477 0.619757 Y\n0.334726 0.145523 0.380243 Y\n0.506414 0.826603 0.253435 Y\n0.006414 0.673397 0.746565 Y\n0.493586 0.173397 0.746565 Y\n0.993586 0.326603 0.253435 Y\n0.471851 0.852468 0.040745 Si\n0.971851 0.647532 0.959255 Si\n0.528149 0.147532 0.959255 Si\n0.028149 0.352468 0.040745 Si\n0.465336 0.797075 0.457379 Si\n0.965336 0.702925 0.542621 Si\n0.534664 0.202925 0.542621 Si\n0.034664 0.297075 0.457379 Si\n0.107819 0.953578 0.248048 Si\n0.607819 0.546422 0.751952 Si\n0.892181 0.046422 0.751952 Si\n0.392181 0.453578 0.248048 Si\n0.371316 0.787928 0.752002 Si\n0.871316 0.712072 0.247998 Si\n0.628684 0.212072 0.247998 Si\n0.128684 0.287928 0.752002 Si\n",
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"formula_full": "Y20 Si16",
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},
{
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