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{
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"results": [
{
"id": "mp-1234385",
"created_at": "2022-09-04T14:43:03.234049Z",
"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n4.481720 0.164834 -0.195133\n0.679606 9.905328 1.489181\n-0.741548 -0.197016 11.290828\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.955719 0.389296 0.552358 Mg\n0.041602 0.575981 0.184047 Au\n0.964150 0.003173 0.012147 Au\n0.986925 0.429786 0.808697 Au\n0.973853 0.989896 0.509741 Au\n0.743717 0.855865 0.265747 Se\n0.160132 0.712535 0.912286 Se\n0.768852 0.295872 0.096921 Se\n0.256602 0.115506 0.747978 Se\n0.435108 0.480877 0.569327 Cl\n0.754232 0.497790 0.332901 Cl\n0.201895 0.188344 0.462887 Cl\n0.739537 0.798775 0.548721 Cl\n0.654770 0.945739 0.122759 O\n0.636913 0.325726 0.951623 O\n0.075827 0.754214 0.255855 O\n0.053053 0.155749 0.106110 O\n0.072964 0.401793 0.113867 O\n0.876120 0.840653 0.928147 O\n0.310575 0.647234 0.060781 O\n0.993176 0.262891 0.712474 O\n0.919502 0.983660 0.331164 O\n0.894057 0.609466 0.872545 O\n0.269283 0.063489 0.898417 O\n0.025326 0.000693 0.690120 O\n",
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"formula_full": "Mg1 Au4 Se4 Cl4 O12",
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"spacegroup": 1
},
{
"id": "mp-1234153",
"created_at": "2022-09-04T14:43:00.262892Z",
"structure_string": "Mg1 Al2 Si6 O16\n1.0\n0.026859 -0.013333 5.062281\n8.439592 0.076022 0.049860\n0.079050 8.833354 -0.029839\nMg Al Si O\n1 2 6 16\ndirect\n0.556622 0.122712 0.019947 Mg\n0.622201 0.309279 0.334271 Al\n0.871955 0.184955 0.808914 Al\n0.918015 0.803773 0.827666 Si\n0.618784 0.686645 0.325482 Si\n0.419066 0.687132 0.658608 Si\n0.109108 0.806126 0.151548 Si\n0.365027 0.312142 0.660924 Si\n0.096697 0.178272 0.160429 Si\n0.941575 0.232039 0.003685 O\n0.511340 0.256946 0.510827 O\n0.361935 0.708021 0.213221 O\n0.167723 0.800001 0.709713 O\n0.215503 0.992857 0.121434 O\n0.324268 0.505284 0.663383 O\n0.803000 0.983020 0.856444 O\n0.717627 0.506310 0.321623 O\n0.853934 0.807204 0.263878 O\n0.669868 0.698077 0.774884 O\n0.521063 0.745927 0.492043 O\n0.024693 0.731756 0.990245 O\n0.075556 0.236379 0.668530 O\n0.386723 0.260950 0.181375 O\n0.536056 0.249586 0.813469 O\n0.886661 0.180319 0.292712 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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"Al",
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"O"
],
"chemical_system": "Al-Mg-O-Si",
"density": 2.212478266333039,
"density_atomic": 0.06625204569631248,
"volume": 377.3468386862426,
"volume_molar": 9.089743111638267,
"formula_full": "Mg1 Al2 Si6 O16",
"formula_reduced": "MgAl2(Si3O8)2",
"formula_anonymous": "AB2C6D16",
"energy": -200.92386822,
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"updated_at": "2021-11-28T01:35:57.633000Z",
"spacegroup": 1
},
{
"id": "mp-1110692",
"created_at": "2022-09-04T14:43:11.101507Z",
"structure_string": "Rb3 Sc1 Cl6\n1.0\n0.000000 5.600999 5.600999\n5.600999 0.000000 5.600999\n5.600999 5.600999 0.000000\nRb Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.777071 0.222929 0.222929 Cl\n0.222929 0.222929 0.777071 Cl\n0.222929 0.777071 0.777071 Cl\n0.222929 0.777071 0.222929 Cl\n0.777071 0.222929 0.777071 Cl\n0.777071 0.777071 0.222929 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.4291316566289716,
"density_atomic": 0.02845597816588135,
"volume": 351.42000537482755,
"volume_molar": 21.16300738247168,
"formula_full": "Rb3 Sc1 Cl6",
"formula_reduced": "Rb3ScCl6",
"formula_anonymous": "AB3C6",
"energy": -44.27126328,
"energy_per_atom": -4.427126328,
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"updated_at": "2021-11-28T01:35:56.006000Z",
"spacegroup": 225
},
{
"id": "mp-1516644",
"created_at": "2022-09-04T14:43:01.188875Z",
"structure_string": "Sr2 Tb1 Nb1 O6\n1.0\n0.000000 -4.232794 -4.232794\n4.232794 0.000000 -4.232794\n4.232794 -4.232794 0.000000\nSr Tb Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Nb\n0.762687 0.237313 0.237313 O\n0.237313 0.762687 0.762687 O\n0.762687 0.237313 0.762687 O\n0.237313 0.762687 0.237313 O\n0.762687 0.762687 0.237313 O\n0.237313 0.237313 0.762687 O\n",
"nsites": 10,
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"elements": [
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"Nb",
"O"
],
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"density": 5.726588315356275,
"density_atomic": 0.06593083949038243,
"volume": 151.67408874656806,
"volume_molar": 9.134027120765646,
"formula_full": "Sr2 Tb1 Nb1 O6",
"formula_reduced": "Sr2TbNbO6",
"formula_anonymous": "ABC2D6",
"energy": -81.73567813,
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"updated_at": "2021-11-28T01:36:03.677000Z",
"spacegroup": 225
},
{
"id": "mp-6803",
"created_at": "2022-09-04T14:43:09.781261Z",
"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.403187 0.000000 0.000000\n0.000000 8.903286 0.000000\n0.000000 0.000000 16.796004\nSr Pr B O\n12 8 16 48\ndirect\n0.320672 0.349560 0.927300 Sr\n0.679328 0.650440 0.427300 Sr\n0.179328 0.849560 0.427300 Sr\n0.820672 0.150440 0.927300 Sr\n0.036849 0.327560 0.722127 Sr\n0.963151 0.672440 0.222127 Sr\n0.463151 0.827560 0.222127 Sr\n0.536849 0.172440 0.722127 Sr\n0.306866 0.351810 0.175546 Sr\n0.693134 0.648190 0.675546 Sr\n0.806866 0.148190 0.175546 Sr\n0.193134 0.851810 0.675546 Sr\n0.031163 0.329255 0.383646 Pr\n0.968837 0.670745 0.883646 Pr\n0.468837 0.829255 0.883646 Pr\n0.531163 0.170745 0.383646 Pr\n0.315520 0.465710 0.554672 Pr\n0.684480 0.534290 0.054672 Pr\n0.184480 0.965710 0.054672 Pr\n0.815520 0.034290 0.554672 Pr\n0.162237 0.061963 0.261439 B\n0.014985 0.370805 0.048933 B\n0.985015 0.629195 0.548933 B\n0.485015 0.870805 0.548933 B\n0.514985 0.129195 0.048933 B\n0.721692 0.355764 0.552440 B\n0.278308 0.644236 0.052440 B\n0.778308 0.855764 0.052440 B\n0.221692 0.144236 0.552440 B\n0.673478 0.451728 0.845602 B\n0.326522 0.548272 0.345602 B\n0.826522 0.951728 0.345602 B\n0.173478 0.048272 0.845602 B\n0.662237 0.438037 0.261439 B\n0.337763 0.561963 0.761439 B\n0.837763 0.938037 0.761439 B\n0.809497 0.491419 0.792758 O\n0.247596 0.719856 0.980798 O\n0.747596 0.780144 0.980798 O\n0.252404 0.219856 0.480798 O\n0.616663 0.259780 0.045585 O\n0.267870 0.218928 0.621302 O\n0.732130 0.781072 0.121302 O\n0.232130 0.718928 0.121302 O\n0.767870 0.281072 0.621302 O\n0.460948 0.055006 0.978858 O\n0.539052 0.944994 0.478858 O\n0.039052 0.555006 0.478858 O\n0.960948 0.444994 0.978858 O\n0.452560 0.073488 0.121280 O\n0.547440 0.926512 0.621280 O\n0.047440 0.573488 0.621280 O\n0.952560 0.426512 0.121280 O\n0.116663 0.240220 0.045585 O\n0.883337 0.759780 0.545585 O\n0.383337 0.740220 0.545585 O\n0.882815 0.060856 0.400570 O\n0.117185 0.939144 0.900570 O\n0.617185 0.560856 0.900570 O\n0.382815 0.439144 0.400570 O\n0.103559 0.191459 0.847828 O\n0.896441 0.808541 0.347828 O\n0.396441 0.691459 0.347828 O\n0.603559 0.308541 0.847828 O\n0.690503 0.991419 0.292758 O\n0.309497 0.008581 0.792758 O\n0.752404 0.280144 0.480798 O\n0.190503 0.508581 0.292758 O\n0.884163 0.038602 0.702362 O\n0.115837 0.961398 0.202362 O\n0.615837 0.538602 0.202362 O\n0.384163 0.461398 0.702362 O\n0.082611 0.204171 0.261059 O\n0.917389 0.795829 0.761059 O\n0.417389 0.704171 0.761059 O\n0.582611 0.295829 0.261059 O\n0.708819 0.971143 0.819220 O\n0.291181 0.028857 0.319220 O\n0.791181 0.471143 0.319220 O\n0.208819 0.528857 0.819220 O\n0.863327 0.992806 0.052675 O\n0.136673 0.007194 0.552675 O\n0.636673 0.492806 0.552675 O\n0.363327 0.507194 0.052675 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-O-Pr-Sr",
"density": 4.679287545574492,
"density_atomic": 0.07587597289229854,
"volume": 1107.0698245837723,
"volume_molar": 7.936821803323793,
"formula_full": "Sr12 Pr8 B16 O48",
"formula_reduced": "Sr3Pr2(BO3)4",
"formula_anonymous": "A2B3C4D12",
"energy": -683.6060138,
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"updated_at": "2021-11-28T01:36:09.535000Z",
"spacegroup": 33
},
{
"id": "mp-772063",
"created_at": "2022-09-04T14:43:13.857018Z",
"structure_string": "Ba8 La8 Cl40\n1.0\n9.775870 0.000000 0.000000\n0.000000 9.621242 0.000000\n0.000000 1.487912 19.596055\nBa La Cl\n8 8 40\ndirect\n0.156477 0.000136 0.638464 Ba\n0.343523 0.000136 0.138464 Ba\n0.155895 0.683458 0.914012 Ba\n0.344105 0.683458 0.414012 Ba\n0.655895 0.316542 0.585988 Ba\n0.844105 0.316542 0.085988 Ba\n0.656477 0.999864 0.861536 Ba\n0.843523 0.999864 0.361536 Ba\n0.679866 0.820076 0.621801 La\n0.820134 0.820076 0.121801 La\n0.628923 0.506155 0.839260 La\n0.128923 0.493845 0.660740 La\n0.871077 0.506155 0.339260 La\n0.371077 0.493845 0.160740 La\n0.179866 0.179924 0.878199 La\n0.320134 0.179924 0.378199 La\n0.477871 0.021665 0.603451 Cl\n0.823211 0.975241 0.712591 Cl\n0.833968 0.967470 0.526056 Cl\n0.022129 0.021665 0.103451 Cl\n0.676789 0.975241 0.212591 Cl\n0.666032 0.967470 0.026056 Cl\n0.495470 0.718672 0.905852 Cl\n0.533443 0.687789 0.729575 Cl\n0.161477 0.708714 0.747123 Cl\n0.852846 0.665983 0.851698 Cl\n0.203214 0.705851 0.563805 Cl\n0.004530 0.718672 0.405852 Cl\n0.573009 0.633843 0.535131 Cl\n0.966557 0.687789 0.229575 Cl\n0.338523 0.708714 0.247123 Cl\n0.855205 0.589141 0.646159 Cl\n0.647154 0.665983 0.351698 Cl\n0.296786 0.705851 0.063805 Cl\n0.926991 0.633843 0.035131 Cl\n0.644795 0.589141 0.146159 Cl\n0.355205 0.410859 0.853841 Cl\n0.073009 0.366157 0.964869 Cl\n0.703214 0.294149 0.936195 Cl\n0.352846 0.334017 0.648302 Cl\n0.144795 0.410859 0.353841 Cl\n0.661477 0.291286 0.752877 Cl\n0.033443 0.312211 0.770425 Cl\n0.426991 0.366157 0.464869 Cl\n0.995470 0.281328 0.594148 Cl\n0.796786 0.294149 0.436195 Cl\n0.147154 0.334017 0.148302 Cl\n0.838523 0.291286 0.252877 Cl\n0.466557 0.312211 0.270425 Cl\n0.504530 0.281328 0.094148 Cl\n0.333968 0.032530 0.973944 Cl\n0.323211 0.024759 0.787409 Cl\n0.977871 0.978335 0.896549 Cl\n0.166032 0.032530 0.473944 Cl\n0.176789 0.024759 0.287409 Cl\n0.522129 0.978335 0.396549 Cl\n",
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"volume": 1843.1267652350687,
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"formula_full": "Ba8 La8 Cl40",
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"energy": -287.45255629,
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"spacegroup": 14
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{
"id": "mp-1516962",
"created_at": "2022-09-04T14:43:51.974511Z",
"structure_string": "K4 Sr4 Sm4 W4 O24\n1.0\n8.442447 0.000000 0.000000\n0.000000 8.442408 0.000000\n0.000000 0.000000 8.462310\nK Sr Sm W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.750000 0.250000 Sm\n0.750000 0.250000 0.250000 Sm\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.021471 0.222911 0.266500 O\n0.978529 0.777089 0.266500 O\n0.978529 0.222911 0.733500 O\n0.021471 0.777089 0.733500 O\n0.271881 0.021304 0.224397 O\n0.271881 0.978696 0.775603 O\n0.728119 0.978696 0.224397 O\n0.728119 0.021304 0.775603 O\n0.213872 0.273787 0.020397 O\n0.786128 0.273787 0.979603 O\n0.213872 0.726213 0.979603 O\n0.786128 0.726213 0.020397 O\n0.478529 0.277089 0.233500 O\n0.521471 0.722911 0.233500 O\n0.521471 0.277089 0.766500 O\n0.478529 0.722911 0.766500 O\n0.228119 0.478696 0.275603 O\n0.228119 0.521304 0.724397 O\n0.771881 0.521304 0.275603 O\n0.771881 0.478696 0.724397 O\n0.286128 0.226213 0.479603 O\n0.713872 0.226213 0.520397 O\n0.286128 0.773787 0.520397 O\n0.713872 0.773787 0.479603 O\n",
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},
{
"id": "mp-1521716",
"created_at": "2022-09-04T14:43:20.113243Z",
"structure_string": "Ba1 Ca1 Nd1 Sb1 O6\n1.0\n0.000000 -4.294268 -4.294268\n4.294268 0.000000 -4.294268\n4.294268 -4.294268 -0.000000\nBa Ca Nd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n0.732743 0.267257 0.267257 O\n0.267257 0.732743 0.732743 O\n0.732743 0.267257 0.732743 O\n0.267257 0.732743 0.267257 O\n0.732743 0.732743 0.267257 O\n0.267257 0.267257 0.732743 O\n",
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"density": 5.655426300666863,
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