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{
"id": "mp-510607",
"created_at": "2022-09-04T14:43:52.180558Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n7.503895 0.000000 0.000000\n0.000000 6.841669 0.000000\n0.000000 5.195125 7.014956\nSr Cr O\n4 4 16\ndirect\n0.343998 0.326111 0.774201 Sr\n0.843998 0.673889 0.725799 Sr\n0.656002 0.673889 0.225799 Sr\n0.156002 0.326111 0.274201 Sr\n0.337155 0.812537 0.803308 Cr\n0.837155 0.187463 0.696692 Cr\n0.662845 0.187463 0.196692 Cr\n0.162845 0.812537 0.303308 Cr\n0.285108 0.094078 0.620060 O\n0.785108 0.905922 0.879940 O\n0.714892 0.905922 0.379940 O\n0.214892 0.094078 0.120060 O\n0.496499 0.694826 0.747203 O\n0.996499 0.305174 0.752797 O\n0.503501 0.305174 0.252797 O\n0.003501 0.694826 0.247203 O\n0.401480 0.833989 0.974606 O\n0.901480 0.166011 0.525394 O\n0.598520 0.166011 0.025394 O\n0.098520 0.833989 0.474606 O\n0.161787 0.624652 0.881158 O\n0.661787 0.375348 0.618842 O\n0.838213 0.375348 0.118842 O\n0.338213 0.624652 0.381158 O\n",
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{
"id": "mp-1179191",
"created_at": "2022-09-04T14:44:00.979488Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n7.912390 0.000000 0.000000\n0.000000 7.314214 0.000000\n0.000000 0.600239 7.404815\nSr Cr O\n4 4 16\ndirect\n0.558151 0.224071 0.131657 Sr\n0.058151 0.275929 0.868343 Sr\n0.441849 0.775929 0.868343 Sr\n0.941849 0.724071 0.131657 Sr\n0.546104 0.249362 0.679700 Cr\n0.046104 0.250638 0.320300 Cr\n0.453896 0.750638 0.320300 Cr\n0.953896 0.749362 0.679700 Cr\n0.547894 0.444629 0.833933 O\n0.047894 0.055371 0.166067 O\n0.452106 0.555371 0.166067 O\n0.952106 0.944629 0.833933 O\n0.587164 0.239159 0.459939 O\n0.087164 0.260841 0.540061 O\n0.412836 0.760841 0.540061 O\n0.912836 0.739159 0.459939 O\n0.602113 0.059873 0.829201 O\n0.102113 0.440127 0.170799 O\n0.397887 0.940127 0.170799 O\n0.897887 0.559873 0.829201 O\n0.874864 0.138020 0.178674 O\n0.374864 0.361980 0.821326 O\n0.125136 0.861980 0.821326 O\n0.625136 0.638020 0.178674 O\n",
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"elements": [
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],
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"density": 3.1559239099326226,
"density_atomic": 0.05600433964914447,
"volume": 428.5382195443247,
"volume_molar": 10.752989496398778,
"formula_full": "Sr4 Cr4 O16",
"formula_reduced": "SrCrO4",
"formula_anonymous": "ABC4",
"energy": -168.22496994,
"energy_per_atom": -7.0093737475,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:30.749000Z",
"spacegroup": 14
},
{
"id": "mp-603935",
"created_at": "2022-09-04T14:45:56.407129Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n8.340323 0.000000 0.000000\n0.000000 7.070519 0.000000\n0.000000 0.270797 7.337755\nSr Cr O\n4 4 16\ndirect\n0.953871 0.242454 0.169646 Sr\n0.453871 0.257546 0.830354 Sr\n0.046129 0.757546 0.830354 Sr\n0.546129 0.742454 0.169646 Sr\n0.498839 0.715799 0.722197 Cr\n0.501161 0.284201 0.277803 Cr\n0.001161 0.215799 0.722197 Cr\n0.998839 0.784201 0.277803 Cr\n0.474954 0.082864 0.170620 O\n0.525046 0.917136 0.829380 O\n0.134938 0.935582 0.194364 O\n0.822247 0.878291 0.209761 O\n0.974954 0.417136 0.829380 O\n0.492943 0.258812 0.500532 O\n0.865062 0.064418 0.805636 O\n0.322247 0.621709 0.790239 O\n0.025046 0.582864 0.170620 O\n0.507057 0.741188 0.499468 O\n0.007057 0.758812 0.500532 O\n0.634938 0.564418 0.805636 O\n0.365062 0.435582 0.194364 O\n0.677753 0.378291 0.209761 O\n0.177753 0.121709 0.790239 O\n0.992943 0.241188 0.499468 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cr-O-Sr",
"density": 3.12549431896953,
"density_atomic": 0.05546434274290792,
"volume": 432.71043724878206,
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"formula_full": "Sr4 Cr4 O16",
"formula_reduced": "SrCrO4",
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"energy": -181.20509336,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.615000Z",
"spacegroup": 14
},
{
"id": "mp-1179431",
"created_at": "2022-09-04T14:45:37.258459Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n9.668895 1.340105 0.000000\n-1.151297 6.290375 0.000000\n0.000000 0.000000 7.600817\nSr Cr O\n4 4 16\ndirect\n0.361376 0.167419 0.092803 Sr\n0.138624 0.832581 0.592803 Sr\n0.638624 0.832581 0.907197 Sr\n0.861376 0.167419 0.407197 Sr\n0.265424 0.685088 0.105355 Cr\n0.234576 0.314912 0.605355 Cr\n0.734576 0.314912 0.894645 Cr\n0.765424 0.685088 0.394645 Cr\n0.245273 0.459073 0.266629 O\n0.254727 0.540927 0.766629 O\n0.754727 0.540927 0.733371 O\n0.745273 0.459073 0.233371 O\n0.431789 0.792292 0.071538 O\n0.068211 0.207708 0.571538 O\n0.568211 0.207708 0.928462 O\n0.931789 0.792292 0.428462 O\n0.669159 0.900679 0.377597 O\n0.830841 0.099321 0.877597 O\n0.330841 0.099321 0.622403 O\n0.169159 0.900679 0.122403 O\n0.726435 0.463174 0.555607 O\n0.773565 0.536826 0.055607 O\n0.273565 0.536826 0.444393 O\n0.226435 0.463174 0.944393 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cr-O-Sr",
"density": 2.853139455479041,
"density_atomic": 0.05063119254178556,
"volume": 474.0160915663397,
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"formula_full": "Sr4 Cr4 O16",
"formula_reduced": "SrCrO4",
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"energy": -164.08447253,
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"updated_at": "2021-11-28T01:37:02.438000Z",
"spacegroup": 14
},
{
"id": "mp-1282494",
"created_at": "2022-09-04T14:44:13.079432Z",
"structure_string": "Sr4 Cr4 O8\n1.0\n4.073310 0.000002 3.472926\n4.073564 -4.068846 -3.473215\n4.073562 4.068838 -3.473208\nSr Cr O\n4 4 8\ndirect\n0.502282 0.251566 0.751567 Sr\n0.997707 0.498436 0.998433 Sr\n0.502281 0.751568 0.251565 Sr\n0.997710 0.998432 0.498433 Sr\n0.010087 0.494104 0.494098 Cr\n0.489907 0.755907 0.755905 Cr\n0.010005 0.994108 0.994114 Cr\n0.490020 0.255883 0.255889 Cr\n0.001620 0.248936 0.748938 O\n0.498415 0.501042 0.001042 O\n0.001619 0.748937 0.248937 O\n0.498417 0.001043 0.501044 O\n0.249912 0.625049 0.625047 O\n0.750041 0.874962 0.874961 O\n0.249906 0.125053 0.125052 O\n0.750071 0.374975 0.374975 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-O-Sr",
"density": 4.950612486939679,
"density_atomic": 0.06948880372244425,
"volume": 230.2529205123177,
"volume_molar": 8.666346860789178,
"formula_full": "Sr4 Cr4 O8",
"formula_reduced": "SrCrO2",
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"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.654000Z",
"spacegroup": 65
},
{
"id": "mp-1179211",
"created_at": "2022-09-04T14:47:57.716924Z",
"structure_string": "Sr4 Cr4 P8 O28\n1.0\n8.438376 0.000000 0.000000\n0.000000 5.494717 0.000000\n0.000000 5.399332 12.758408\nSr Cr P O\n4 4 8 28\ndirect\n0.410088 0.988372 0.222043 Sr\n0.913636 0.008894 0.276445 Sr\n0.086364 0.008894 0.776445 Sr\n0.589912 0.988372 0.722043 Sr\n0.395549 0.318158 0.890813 Cr\n0.103712 0.678650 0.109955 Cr\n0.896288 0.678650 0.609955 Cr\n0.604451 0.318158 0.390813 Cr\n0.551601 0.669905 0.516443 P\n0.051136 0.327580 0.984086 P\n0.948864 0.327580 0.484086 P\n0.448399 0.669905 0.016443 P\n0.212133 0.411234 0.336242 P\n0.787867 0.411234 0.836242 P\n0.290121 0.591730 0.663423 P\n0.709879 0.591730 0.163423 P\n0.563352 0.874348 0.404634 O\n0.062248 0.125363 0.096222 O\n0.937752 0.125363 0.596222 O\n0.436648 0.874348 0.904634 O\n0.415344 0.381905 0.029665 O\n0.917608 0.616248 0.470759 O\n0.082392 0.616248 0.970759 O\n0.584656 0.381905 0.529665 O\n0.688793 0.816486 0.200810 O\n0.189874 0.193324 0.295288 O\n0.810126 0.193324 0.795288 O\n0.311207 0.816486 0.700810 O\n0.632982 0.681636 0.048152 O\n0.132526 0.315300 0.450851 O\n0.867474 0.315300 0.950851 O\n0.367018 0.681636 0.548152 O\n0.615688 0.475110 0.850746 O\n0.117527 0.524255 0.651491 O\n0.882473 0.524255 0.151491 O\n0.384312 0.475110 0.350746 O\n0.651127 0.740714 0.595771 O\n0.151782 0.253128 0.906235 O\n0.624368 0.335289 0.235238 O\n0.348873 0.740714 0.095771 O\n0.375632 0.335289 0.735238 O\n0.869695 0.672445 0.764669 O\n0.130305 0.672445 0.264669 O\n0.848218 0.253128 0.406235 O\n",
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"volume_molar": 8.096529722918843,
"formula_full": "Sr4 Cr4 P8 O28",
"formula_reduced": "SrCrP2O7",
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"updated_at": "2021-11-28T01:38:21.445000Z",
"spacegroup": 7
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{
"id": "mp-18207",
"created_at": "2022-09-04T14:39:27.523558Z",
"structure_string": "Sr4 Cr4 P8 O28\n1.0\n8.497906 0.000000 0.000000\n0.000000 5.475729 0.000000\n0.000000 5.406406 12.884398\nSr Cr P O\n4 4 8 28\ndirect\n0.171021 0.486054 0.225420 Sr\n0.671021 0.513946 0.274580 Sr\n0.828979 0.513946 0.774580 Sr\n0.328979 0.486054 0.725420 Sr\n0.138392 0.809575 0.895712 Cr\n0.861608 0.190425 0.104288 Cr\n0.638392 0.190425 0.604288 Cr\n0.361608 0.809575 0.395712 Cr\n0.288048 0.168566 0.519089 P\n0.788048 0.831434 0.980911 P\n0.711952 0.831434 0.480911 P\n0.211952 0.168566 0.019089 P\n0.971196 0.917533 0.327892 P\n0.528804 0.917533 0.827892 P\n0.028804 0.082467 0.672108 P\n0.471196 0.082467 0.172108 P\n0.290231 0.371613 0.407989 O\n0.790231 0.628387 0.092011 O\n0.709769 0.628387 0.592011 O\n0.209769 0.371613 0.907989 O\n0.173316 0.881541 0.032015 O\n0.673316 0.118459 0.467985 O\n0.826684 0.118459 0.967985 O\n0.326684 0.881541 0.532015 O\n0.442377 0.304347 0.210559 O\n0.942377 0.695653 0.289441 O\n0.557623 0.695653 0.789441 O\n0.057623 0.304347 0.710559 O\n0.391980 0.169139 0.057725 O\n0.891980 0.830861 0.442275 O\n0.608020 0.830861 0.942275 O\n0.108020 0.169139 0.557725 O\n0.355983 0.965223 0.844320 O\n0.855983 0.034777 0.655680 O\n0.644017 0.034777 0.155680 O\n0.144017 0.965223 0.344320 O\n0.392760 0.252417 0.591810 O\n0.892760 0.747583 0.908190 O\n0.399166 0.817481 0.242708 O\n0.107240 0.252417 0.091810 O\n0.100834 0.817481 0.742708 O\n0.600834 0.182519 0.757292 O\n0.899166 0.182519 0.257292 O\n0.607240 0.747583 0.408190 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 3.473849073508163,
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"volume": 599.5397753153078,
"volume_molar": 8.205711177653539,
"formula_full": "Sr4 Cr4 P8 O28",
"formula_reduced": "SrCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -354.57013327,
"energy_per_atom": -8.058412119772727,
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"updated_at": "2021-11-28T01:34:35.018000Z",
"spacegroup": 14
},
{
"id": "mp-19508",
"created_at": "2022-09-04T14:47:59.422060Z",
"structure_string": "Sr4 Cr4 Si16 O40\n1.0\n7.558459 0.000000 0.000000\n0.000000 7.558459 0.000000\n0.000000 0.000000 15.855034\nSr Cr Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.587384 Cr\n0.000000 0.500000 0.912616 Cr\n0.000000 0.500000 0.412616 Cr\n0.500000 0.000000 0.087384 Cr\n0.175314 0.258598 0.651423 Si\n0.824686 0.741402 0.651423 Si\n0.258598 0.175314 0.848577 Si\n0.758598 0.324686 0.651423 Si\n0.241402 0.675314 0.651423 Si\n0.324686 0.758598 0.848577 Si\n0.675314 0.241402 0.848577 Si\n0.741402 0.824686 0.848577 Si\n0.324686 0.241402 0.348577 Si\n0.675314 0.758598 0.348577 Si\n0.241402 0.324686 0.151423 Si\n0.741402 0.175314 0.348577 Si\n0.258598 0.824686 0.348577 Si\n0.175314 0.741402 0.151423 Si\n0.824686 0.258598 0.151423 Si\n0.758598 0.675314 0.151423 Si\n0.257687 0.118122 0.586615 O\n0.742313 0.881878 0.586615 O\n0.118122 0.257687 0.913385 O\n0.618122 0.242313 0.586615 O\n0.381878 0.757687 0.586615 O\n0.242313 0.618122 0.913385 O\n0.757687 0.381878 0.913385 O\n0.881878 0.742313 0.913385 O\n0.242313 0.381878 0.413385 O\n0.757687 0.618122 0.413385 O\n0.381878 0.242313 0.086615 O\n0.881878 0.257687 0.413385 O\n0.118122 0.742313 0.413385 O\n0.257687 0.881878 0.086615 O\n0.742313 0.118122 0.086615 O\n0.252750 0.039651 0.367571 O\n0.618122 0.757687 0.086615 O\n0.752750 0.539651 0.632429 O\n0.460349 0.247250 0.867571 O\n0.960349 0.252750 0.632429 O\n0.039651 0.747250 0.632429 O\n0.252750 0.960349 0.867571 O\n0.747250 0.039651 0.867571 O\n0.539651 0.752750 0.867571 O\n0.712725 0.712725 0.250000 O\n0.787275 0.212725 0.250000 O\n0.212725 0.787275 0.250000 O\n0.287275 0.287275 0.250000 O\n0.787275 0.787275 0.750000 O\n0.712725 0.287275 0.750000 O\n0.287275 0.712725 0.750000 O\n0.212725 0.212725 0.750000 O\n0.960349 0.747250 0.132429 O\n0.752750 0.460349 0.132429 O\n0.247250 0.539651 0.132429 O\n0.460349 0.752750 0.367571 O\n0.539651 0.247250 0.367571 O\n0.039651 0.252750 0.132429 O\n0.747250 0.960349 0.367571 O\n0.247250 0.460349 0.632429 O\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "Cr-O-Si-Sr",
"density": 3.020800948171654,
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"volume": 905.8028878492507,
"volume_molar": 8.52323826787919,
"formula_full": "Sr4 Cr4 Si16 O40",
"formula_reduced": "SrCr(Si2O5)2",
"formula_anonymous": "ABC4D10",
"energy": -533.0002336800001,
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