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{
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"results": [
{
"id": "mp-31135",
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"structure_string": "Si38 Te16\n1.0\n7.487023 -7.440706 0.000000\n7.487023 7.440706 0.000000\n0.092347 0.000000 10.555145\nSi Te\n38 16\ndirect\n0.530158 0.618292 0.168527 Si\n0.618292 0.168527 0.530158 Si\n0.168527 0.530158 0.618292 Si\n0.668527 0.118292 0.030158 Si\n0.856626 0.856626 0.856626 Si\n0.356626 0.356626 0.356626 Si\n0.118292 0.030158 0.668527 Si\n0.030158 0.668527 0.118292 Si\n0.426429 0.417971 0.149870 Si\n0.417971 0.149870 0.426429 Si\n0.149870 0.426429 0.417971 Si\n0.649870 0.917971 0.926429 Si\n0.917971 0.926429 0.649870 Si\n0.926429 0.649870 0.917971 Si\n0.503599 0.388733 0.817906 Si\n0.388733 0.817906 0.503599 Si\n0.817906 0.503599 0.388733 Si\n0.317906 0.888733 0.003599 Si\n0.992057 0.503025 0.758022 Si\n0.758022 0.992057 0.503025 Si\n0.503025 0.758022 0.992057 Si\n0.003025 0.492057 0.258022 Si\n0.258022 0.003025 0.492057 Si\n0.492057 0.258022 0.003025 Si\n0.165259 0.174326 0.830702 Si\n0.830702 0.165259 0.174325 Si\n0.174326 0.830702 0.165259 Si\n0.674326 0.665259 0.330702 Si\n0.330702 0.674326 0.665259 Si\n0.665259 0.330702 0.674325 Si\n0.980223 0.319217 0.113895 Si\n0.113895 0.980223 0.319217 Si\n0.319217 0.113895 0.980223 Si\n0.819217 0.480223 0.613895 Si\n0.613895 0.819217 0.480223 Si\n0.480223 0.613895 0.819217 Si\n0.003599 0.317906 0.888733 Si\n0.888733 0.003599 0.317906 Si\n0.309176 0.316557 0.682554 Te\n0.316557 0.682554 0.309176 Te\n0.682554 0.309176 0.316557 Te\n0.182554 0.816557 0.809176 Te\n0.816557 0.809176 0.182554 Te\n0.809176 0.182554 0.816557 Te\n0.005204 0.246594 0.509320 Te\n0.246594 0.509320 0.005204 Te\n0.509320 0.005204 0.246594 Te\n0.009320 0.746594 0.505204 Te\n0.746594 0.505204 0.009320 Te\n0.505204 0.009320 0.746594 Te\n0.687842 0.687842 0.687842 Te\n0.187842 0.187842 0.187842 Te\n0.500046 0.500046 0.500046 Te\n0.000046 0.000046 0.000046 Te\n",
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"formula_full": "Si38 Te16",
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"updated_at": "2021-11-28T01:35:16.730000Z",
"spacegroup": 161
},
{
"id": "mp-1103603",
"created_at": "2022-09-04T14:41:14.582120Z",
"structure_string": "Na2 Te6 Mo6\n1.0\n5.011391 -8.679983 0.000000\n5.011391 8.679983 0.000000\n0.000000 0.000000 4.611006\nNa Te Mo\n2 6 6\ndirect\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.695092 0.655296 0.750000 Te\n0.344704 0.039795 0.750000 Te\n0.960205 0.304908 0.750000 Te\n0.304908 0.344704 0.250000 Te\n0.655296 0.960205 0.250000 Te\n0.039795 0.695092 0.250000 Te\n0.019797 0.857345 0.750000 Mo\n0.142655 0.162452 0.750000 Mo\n0.837548 0.980203 0.750000 Mo\n0.980203 0.142655 0.250000 Mo\n0.857345 0.837548 0.250000 Mo\n0.162452 0.019797 0.250000 Mo\n",
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"elements": [
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"density": 5.742373651276969,
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"volume": 401.14635125101154,
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"formula_full": "Na2 Te6 Mo6",
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"updated_at": "2021-11-28T01:35:18.988000Z",
"spacegroup": 176
},
{
"id": "mp-1214238",
"created_at": "2022-09-04T14:41:14.590432Z",
"structure_string": "Ca4 B16 O30\n1.0\n6.497518 -0.038709 -0.060799\n-1.613402 8.258543 -4.289015\n0.003202 0.001092 10.164061\nCa B O\n4 16 30\ndirect\n0.519176 0.182455 0.719985 Ca\n0.480824 0.817545 0.280015 Ca\n0.840116 0.185219 0.172065 Ca\n0.159884 0.814781 0.827936 Ca\n0.248202 0.064910 0.218515 B\n0.751798 0.935090 0.781485 B\n0.580977 0.404500 0.126541 B\n0.419023 0.595500 0.873459 B\n0.235498 0.468641 0.156968 B\n0.764502 0.531359 0.843032 B\n0.201139 0.260821 0.478292 B\n0.798861 0.739179 0.521708 B\n0.074923 0.388763 0.735897 B\n0.925077 0.611237 0.264103 B\n0.054708 0.155399 0.807902 B\n0.945292 0.844601 0.192098 B\n0.269583 0.174182 0.024766 B\n0.730417 0.825818 0.975234 B\n0.554405 0.182391 0.427533 B\n0.445595 0.817609 0.572467 B\n0.451649 0.516330 0.152335 O\n0.548351 0.483670 0.847665 O\n0.498967 0.241258 0.048168 O\n0.501033 0.758742 0.951832 O\n0.149313 0.307733 0.104191 O\n0.850687 0.692267 0.895809 O\n0.139692 0.597106 0.219729 O\n0.860308 0.402894 0.780271 O\n0.654790 0.089434 0.477314 O\n0.345210 0.910566 0.522686 O\n0.217535 0.050002 0.071326 O\n0.782465 0.949998 0.928674 O\n0.157959 0.904105 0.213943 O\n0.842041 0.095895 0.786057 O\n0.143289 0.192241 0.327029 O\n0.856711 0.807759 0.672971 O\n0.395606 0.248978 0.527303 O\n0.604394 0.751022 0.472697 O\n0.069899 0.338456 0.577694 O\n0.930101 0.661544 0.422306 O\n0.196821 0.092897 0.862657 O\n0.803179 0.907103 0.137343 O\n0.714607 0.300522 0.411221 O\n0.285393 0.699478 0.588779 O\n0.473085 0.090699 0.268238 O\n0.526915 0.909301 0.731762 O\n0.786960 0.447495 0.178344 O\n0.213040 0.552505 0.821656 O\n0.151461 0.273352 0.774485 O\n0.848539 0.726648 0.225515 O\n",
"nsites": 50,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 2.4788221391951706,
"density_atomic": 0.09177650624267687,
"volume": 544.801736816928,
"volume_molar": 6.561745490808031,
"formula_full": "Ca4 B16 O30",
"formula_reduced": "Ca2B8O15",
"formula_anonymous": "A2B8C15",
"energy": -405.28483078,
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"updated_at": "2021-11-28T01:35:16.436000Z",
"spacegroup": 2
},
{
"id": "mp-1025272",
"created_at": "2022-09-04T14:41:14.608600Z",
"structure_string": "Zn1 P1 Pt5\n1.0\n3.928793 0.000000 0.000000\n0.000000 3.928793 0.000000\n0.000000 0.000000 6.995639\nZn P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.291806 Pt\n0.000000 0.500000 0.708194 Pt\n0.500000 0.000000 0.291806 Pt\n0.500000 0.000000 0.708194 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"density": 16.482317830310176,
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"volume": 107.98058721558391,
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"formula_full": "Zn1 P1 Pt5",
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"spacegroup": 123
},
{
"id": "mp-1210883",
"created_at": "2022-09-04T14:41:14.631463Z",
"structure_string": "Nd28 V8 B4 O68\n1.0\n18.125518 0.000000 0.000000\n0.000000 6.990287 0.000000\n0.000000 5.442260 12.547999\nNd V B O\n28 8 4 68\ndirect\n0.722187 0.797170 0.179245 Nd\n0.277813 0.202830 0.820755 Nd\n0.222187 0.202830 0.320755 Nd\n0.777813 0.797170 0.679245 Nd\n0.866918 0.777510 0.437106 Nd\n0.133082 0.222490 0.562894 Nd\n0.366918 0.222490 0.062894 Nd\n0.633082 0.777510 0.937106 Nd\n0.606837 0.309817 0.197620 Nd\n0.393163 0.690183 0.802380 Nd\n0.106837 0.690183 0.302380 Nd\n0.893163 0.309817 0.697620 Nd\n0.273730 0.713818 0.097087 Nd\n0.726270 0.286182 0.902913 Nd\n0.773730 0.286182 0.402913 Nd\n0.226270 0.713818 0.597087 Nd\n0.447582 0.708417 0.514872 Nd\n0.552418 0.291583 0.485128 Nd\n0.947582 0.291583 0.985128 Nd\n0.052418 0.708417 0.014872 Nd\n0.520657 0.801625 0.208979 Nd\n0.479343 0.198375 0.791021 Nd\n0.020657 0.198375 0.291021 Nd\n0.979343 0.801625 0.708979 Nd\n0.654244 0.817760 0.424050 Nd\n0.345756 0.182240 0.575950 Nd\n0.154244 0.182240 0.075950 Nd\n0.845756 0.817760 0.924050 Nd\n0.802518 0.289429 0.163211 V\n0.197482 0.710571 0.836789 V\n0.302518 0.710571 0.336789 V\n0.697482 0.289429 0.663211 V\n0.936230 0.777788 0.183271 V\n0.063770 0.222212 0.816729 V\n0.436230 0.222212 0.316729 V\n0.563770 0.777788 0.683271 V\n0.430938 0.747769 0.000452 B\n0.569062 0.252231 0.999548 B\n0.930938 0.252231 0.499548 B\n0.069062 0.747769 0.500452 B\n0.873731 0.441016 0.087910 O\n0.126269 0.558984 0.912090 O\n0.373731 0.558984 0.412090 O\n0.626269 0.441016 0.587910 O\n0.377879 0.598631 0.999878 O\n0.622121 0.401369 0.000122 O\n0.877879 0.401369 0.500122 O\n0.122121 0.598631 0.499878 O\n0.766219 0.899782 0.492595 O\n0.233781 0.100218 0.507405 O\n0.266219 0.100218 0.007405 O\n0.733781 0.899782 0.992595 O\n0.632010 0.954471 0.239848 O\n0.367990 0.045529 0.760152 O\n0.132010 0.045529 0.260152 O\n0.867990 0.954471 0.739848 O\n0.936370 0.870012 0.043462 O\n0.063630 0.129988 0.956538 O\n0.436370 0.129988 0.456538 O\n0.563630 0.870012 0.543462 O\n0.853165 0.704868 0.244554 O\n0.146835 0.295132 0.755446 O\n0.353165 0.295132 0.255446 O\n0.646835 0.704868 0.744554 O\n0.144853 0.796857 0.120345 O\n0.855147 0.203143 0.879655 O\n0.644853 0.203143 0.379655 O\n0.355147 0.796857 0.620345 O\n0.737378 0.434034 0.201164 O\n0.262622 0.565966 0.798836 O\n0.237378 0.565966 0.298836 O\n0.762622 0.434034 0.701164 O\n0.542146 0.638693 0.400477 O\n0.457854 0.361307 0.599523 O\n0.042146 0.361307 0.099523 O\n0.957854 0.638693 0.900477 O\n0.003909 0.581015 0.227409 O\n0.996091 0.418985 0.772591 O\n0.503909 0.418985 0.272591 O\n0.496091 0.581015 0.727409 O\n0.330277 0.893637 0.216040 O\n0.669723 0.106363 0.783960 O\n0.830277 0.106363 0.283960 O\n0.169723 0.893637 0.716040 O\n0.610215 0.683659 0.122355 O\n0.389785 0.316341 0.877645 O\n0.110215 0.316341 0.377645 O\n0.889785 0.683659 0.622355 O\n0.969677 0.986974 0.204011 O\n0.030323 0.013026 0.795989 O\n0.469677 0.013026 0.295989 O\n0.530323 0.986974 0.704011 O\n0.420894 0.834254 0.074272 O\n0.579106 0.165746 0.925728 O\n0.920894 0.165746 0.425728 O\n0.079106 0.834254 0.574272 O\n0.515519 0.194853 0.079388 O\n0.484481 0.805147 0.920612 O\n0.015519 0.805147 0.420612 O\n0.984481 0.194853 0.579388 O\n0.739763 0.625748 0.376280 O\n0.260237 0.374252 0.623720 O\n0.239763 0.374252 0.123720 O\n0.760237 0.625748 0.876280 O\n0.260761 0.836927 0.408502 O\n0.739239 0.163073 0.591498 O\n0.760761 0.163073 0.091498 O\n0.239239 0.836927 0.908502 O\n",
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{
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"created_at": "2022-09-04T14:41:14.640841Z",
"structure_string": "Li4 Nb5 Cr3 O16\n1.0\n3.034341 5.353558 0.000000\n-3.034341 5.353558 0.000000\n0.000000 0.101279 10.089402\nLi Nb Cr O\n4 5 3 16\ndirect\n0.672234 0.672234 0.909758 Li\n0.006179 0.006179 0.988666 Li\n0.997933 0.997933 0.490651 Li\n0.335725 0.335725 0.394628 Li\n0.654796 0.654796 0.492103 Nb\n0.829119 0.829119 0.224343 Nb\n0.332600 0.332600 0.999437 Nb\n0.630092 0.185339 0.715654 Nb\n0.185339 0.630092 0.715654 Nb\n0.830939 0.338544 0.210366 Cr\n0.338544 0.830939 0.210366 Cr\n0.163569 0.163569 0.709451 Cr\n0.816511 0.333632 0.590252 O\n0.527489 0.527489 0.358241 O\n0.675211 0.675211 0.108662 O\n0.999310 0.999310 0.305817 O\n0.999509 0.999509 0.804327 O\n0.333632 0.816511 0.590252 O\n0.968818 0.528574 0.340921 O\n0.528574 0.968818 0.340921 O\n0.173399 0.173399 0.081820 O\n0.829757 0.829757 0.591705 O\n0.495561 0.046295 0.847671 O\n0.046295 0.495561 0.847671 O\n0.318400 0.318400 0.588064 O\n0.665403 0.157913 0.098109 O\n0.491106 0.491106 0.854099 O\n0.157913 0.665403 0.098109 O\n",
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},
{
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"structure_string": "Nd4 Cd2 Pd4\n1.0\n7.841395 0.000000 0.000000\n0.000000 7.841395 0.000000\n0.000000 0.000000 3.950592\nNd Cd Pd\n4 2 4\ndirect\n0.674410 0.174410 0.500000 Nd\n0.325590 0.825590 0.500000 Nd\n0.174410 0.325590 0.500000 Nd\n0.825590 0.674410 0.500000 Nd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.127946 0.627946 0.000000 Pd\n0.872054 0.372054 0.000000 Pd\n0.627946 0.872054 0.000000 Pd\n0.372054 0.127946 0.000000 Pd\n",
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{
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