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{
"id": "mp-1283849",
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"structure_string": "Sr2 Co2 O6\n1.0\n3.899938 -0.000034 -0.000217\n-0.000255 3.907838 3.907251\n-0.000184 -3.908070 3.907331\nSr Co O\n2 2 6\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.499999 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.000028 0.270599 0.270734 O\n0.999972 0.729401 0.729267 O\n0.000031 0.229487 0.770644 O\n0.999969 0.770513 0.229355 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.499999 O\n",
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{
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"structure_string": "Sr4 Co4 O12\n1.0\n4.928848 0.000000 0.000000\n0.009439 5.500229 0.000000\n0.964041 0.058643 9.583158\nSr Co O\n4 4 12\ndirect\n0.467180 0.747540 0.656218 Sr\n0.532820 0.252460 0.343782 Sr\n0.979083 0.249783 0.653678 Sr\n0.020917 0.750217 0.346322 Sr\n0.500000 0.000000 0.000000 Co\n0.997314 0.750540 0.997181 Co\n0.500000 0.500000 0.000000 Co\n0.002686 0.249460 0.002819 Co\n0.809559 0.998699 0.105616 O\n0.314387 0.245623 0.103603 O\n0.304734 0.751447 0.100199 O\n0.513921 0.750607 0.394193 O\n0.185859 0.499901 0.896852 O\n0.695266 0.248553 0.899801 O\n0.814141 0.500099 0.103148 O\n0.486079 0.249393 0.605807 O\n0.190441 0.001301 0.894384 O\n0.685613 0.754377 0.896397 O\n0.979016 0.743130 0.604824 O\n0.020984 0.256870 0.395176 O\n",
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"formula_full": "Sr4 Co4 O12",
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"updated_at": "2021-11-28T01:35:36.891000Z",
"spacegroup": 2
},
{
"id": "mp-550781",
"created_at": "2022-09-04T14:46:08.084330Z",
"structure_string": "Sr4 Co4 O12\n1.0\n4.900852 0.000252 -0.481161\n0.000440 5.520515 0.001790\n0.153424 0.003224 9.690901\nSr Co O\n4 4 12\ndirect\n0.528385 0.249896 0.651143 Sr\n0.471185 0.750131 0.349154 Sr\n0.019728 0.749934 0.651664 Sr\n0.979652 0.250104 0.347919 Sr\n0.500151 0.000140 0.999995 Co\n0.002487 0.249669 0.996968 Co\n0.500009 0.499331 0.999992 Co\n0.998059 0.750827 0.003138 Co\n0.185972 0.000889 0.103123 O\n0.680953 0.749629 0.101330 O\n0.690943 0.249678 0.098674 O\n0.486098 0.250138 0.394127 O\n0.814831 0.501167 0.897614 O\n0.310431 0.749914 0.901500 O\n0.185074 0.499218 0.102606 O\n0.513629 0.749935 0.606635 O\n0.814053 0.999484 0.896989 O\n0.319314 0.249879 0.898158 O\n0.019974 0.249984 0.605199 O\n0.979071 0.750053 0.394072 O\n",
"nsites": 20,
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"elements": [
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"density": 4.921002986387556,
"density_atomic": 0.07616232377734286,
"volume": 262.5970297133935,
"volume_molar": 7.906981380459791,
"formula_full": "Sr4 Co4 O12",
"formula_reduced": "SrCoO3",
"formula_anonymous": "ABC3",
"energy": -132.92509471,
"energy_per_atom": -6.6462547354999995,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:24.536000Z",
"spacegroup": 11
},
{
"id": "mp-5671",
"created_at": "2022-09-04T14:39:38.049181Z",
"structure_string": "Sr1 Co2 P2\n1.0\n-1.894638 1.894638 5.802159\n1.894638 -1.894638 5.802159\n1.894638 1.894638 -5.802159\nSr Co P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.651052 0.651052 0.000000 P\n0.348948 0.348948 0.000000 P\n",
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"elements": [
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],
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"density": 5.330445086509914,
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"volume": 83.31095334883321,
"volume_molar": 10.034205758329339,
"formula_full": "Sr1 Co2 P2",
"formula_reduced": "Sr(CoP)2",
"formula_anonymous": "AB2C2",
"energy": -30.90395059,
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"updated_at": "2021-11-28T01:34:36.618000Z",
"spacegroup": 139
},
{
"id": "mp-17107",
"created_at": "2022-09-04T14:43:52.026855Z",
"structure_string": "Sr4 Co4 P8 O28\n1.0\n8.341366 0.000000 0.000000\n0.000000 5.387455 0.000000\n0.000000 5.322789 12.908811\nSr Co P O\n4 4 8 28\ndirect\n0.163884 0.990958 0.222118 Sr\n0.663884 0.009042 0.277882 Sr\n0.836116 0.009042 0.777882 Sr\n0.336116 0.990958 0.722118 Sr\n0.349882 0.286013 0.395262 Co\n0.849882 0.713987 0.104738 Co\n0.650118 0.713987 0.604738 Co\n0.150118 0.286013 0.895262 Co\n0.299759 0.667835 0.520326 P\n0.799759 0.332165 0.979674 P\n0.700241 0.332165 0.479674 P\n0.200241 0.667835 0.020326 P\n0.965274 0.419375 0.332249 P\n0.465274 0.580625 0.167751 P\n0.034726 0.580625 0.667751 P\n0.534726 0.419375 0.832249 P\n0.310652 0.889501 0.411707 O\n0.810652 0.110499 0.088293 O\n0.689348 0.110499 0.588293 O\n0.189348 0.889501 0.911707 O\n0.168516 0.381194 0.026018 O\n0.668516 0.618806 0.473982 O\n0.831484 0.618806 0.973982 O\n0.331484 0.381194 0.526018 O\n0.441659 0.803445 0.208391 O\n0.941659 0.196555 0.291609 O\n0.558341 0.196555 0.791609 O\n0.058341 0.803445 0.708391 O\n0.385826 0.679865 0.053428 O\n0.885826 0.320135 0.446572 O\n0.614174 0.320135 0.946572 O\n0.114174 0.679865 0.553428 O\n0.359182 0.479339 0.846727 O\n0.859182 0.520661 0.653273 O\n0.640818 0.520661 0.153273 O\n0.140818 0.479339 0.346727 O\n0.403147 0.732860 0.599792 O\n0.903147 0.267140 0.900208 O\n0.596853 0.267140 0.400208 O\n0.096853 0.732860 0.099792 O\n0.117738 0.316189 0.736186 O\n0.617738 0.683811 0.763814 O\n0.882262 0.683811 0.263814 O\n0.382262 0.316189 0.236186 O\n",
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"density": 3.6696557945296235,
"density_atomic": 0.07584825630305345,
"volume": 580.1056233144898,
"volume_molar": 7.9397220892440785,
"formula_full": "Sr4 Co4 P8 O28",
"formula_reduced": "SrCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -338.72668019,
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"updated_at": "2021-11-28T01:36:21.417000Z",
"spacegroup": 14
},
{
"id": "mp-1046454",
"created_at": "2022-09-04T14:47:11.890545Z",
"structure_string": "Sr2 Co2 P4 O16\n1.0\n6.017215 0.000000 0.000000\n-1.466945 7.016452 0.000000\n-1.981277 -3.476024 7.992640\nSr Co P O\n2 2 4 16\ndirect\n0.254527 0.775140 0.043066 Sr\n0.745473 0.224860 0.956934 Sr\n0.698433 0.823622 0.547298 Co\n0.301567 0.176378 0.452702 Co\n0.403829 0.423046 0.232362 P\n0.596171 0.576954 0.767638 P\n0.848797 0.026937 0.306136 P\n0.151203 0.973063 0.693864 P\n0.819723 0.567630 0.884047 O\n0.622193 0.451163 0.175964 O\n0.651255 0.788210 0.741047 O\n0.944225 0.080422 0.698495 O\n0.377807 0.548837 0.824036 O\n0.986991 0.749585 0.561444 O\n0.013009 0.250415 0.438556 O\n0.279453 0.988150 0.865890 O\n0.348745 0.211790 0.258953 O\n0.720547 0.011850 0.134110 O\n0.180277 0.432370 0.115953 O\n0.440175 0.603702 0.406343 O\n0.559825 0.396298 0.593657 O\n0.653920 0.932453 0.372812 O\n0.055775 0.919578 0.301505 O\n0.346080 0.067547 0.627188 O\n",
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"elements": [
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"density_atomic": 0.07112264536072925,
"volume": 337.44526624781207,
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"formula_full": "Sr2 Co2 P4 O16",
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"updated_at": "2021-11-28T01:37:56.722000Z",
"spacegroup": 2
},
{
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"created_at": "2022-09-04T14:46:26.779654Z",
"structure_string": "Sr1 Co2 Si2\n1.0\n-1.973269 1.973269 5.428571\n1.973269 -1.973269 5.428571\n1.973269 1.973269 -5.428571\nSr Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.646532 0.646532 0.000000 Si\n0.353468 0.353468 0.000000 Si\n",
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"updated_at": "2021-11-28T01:37:32.337000Z",
"spacegroup": 139
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{
"id": "mp-19505",
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"structure_string": "Sr2 Cr20 O30\n1.0\n5.231175 -5.837656 0.000000\n5.231175 5.837656 0.000000\n0.000000 0.000000 9.543598\nSr Cr O\n2 20 30\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.814853 0.814853 0.634121 Cr\n0.685147 0.685147 0.134121 Cr\n0.314853 0.314853 0.865879 Cr\n0.185147 0.185147 0.365879 Cr\n0.790082 0.044099 0.354450 Cr\n0.709918 0.455901 0.854450 Cr\n0.544099 0.290082 0.145550 Cr\n0.955901 0.209918 0.645550 Cr\n0.209918 0.955901 0.645550 Cr\n0.290082 0.544099 0.145550 Cr\n0.455901 0.709918 0.854450 Cr\n0.044099 0.790082 0.354450 Cr\n0.918777 0.406272 0.114130 Cr\n0.581223 0.093728 0.614130 Cr\n0.906272 0.418777 0.385870 Cr\n0.593728 0.081223 0.885870 Cr\n0.081223 0.593728 0.885870 Cr\n0.418777 0.906272 0.385870 Cr\n0.093728 0.581223 0.614130 Cr\n0.406272 0.918777 0.114130 Cr\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.754200 0.245800 0.500000 O\n0.745800 0.254200 0.000000 O\n0.245800 0.754200 0.500000 O\n0.254200 0.745800 0.000000 O\n0.638381 0.638381 0.730871 O\n0.861619 0.861619 0.230871 O\n0.138381 0.138381 0.769129 O\n0.361619 0.361619 0.269129 O\n0.064925 0.564925 0.250000 O\n0.435075 0.935075 0.750000 O\n0.935075 0.435075 0.750000 O\n0.564925 0.064925 0.250000 O\n0.460741 0.723025 0.241533 O\n0.039259 0.776975 0.741533 O\n0.223025 0.960741 0.258467 O\n0.276975 0.539259 0.758467 O\n0.539259 0.276975 0.758467 O\n0.960741 0.223025 0.258467 O\n0.776975 0.039259 0.741533 O\n0.723025 0.460741 0.241533 O\n0.363178 0.103881 0.507064 O\n0.136822 0.396119 0.007064 O\n0.603881 0.863178 0.992936 O\n0.896119 0.636822 0.492936 O\n0.636822 0.896119 0.492936 O\n0.863178 0.603881 0.992936 O\n0.396119 0.136822 0.007064 O\n0.103881 0.363178 0.507064 O\n",
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"volume": 582.8809764099692,
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"formula_full": "Sr2 Cr20 O30",
"formula_reduced": "SrCr10O15",
"formula_anonymous": "AB10C15",
"energy": -465.32831712,
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"spacegroup": 64
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{
"id": "mp-1218365",
"created_at": "2022-09-04T14:44:16.778229Z",
"structure_string": "Sr1 Cr2 Bi1 O6\n1.0\n4.875503 -2.782346 0.000000\n4.875503 2.782346 0.000000\n3.287677 0.000000 4.550072\nSr Cr Bi O\n1 2 1 6\ndirect\n0.238980 0.238980 0.238980 Sr\n0.492714 0.492714 0.492714 Cr\n0.995457 0.995457 0.995457 Cr\n0.712655 0.712655 0.712655 Bi\n0.165525 0.330069 0.748606 O\n0.748606 0.165525 0.330069 O\n0.330069 0.748606 0.165525 O\n0.274304 0.806094 0.688596 O\n0.688596 0.274304 0.806094 O\n0.806094 0.688596 0.274304 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.67986005755025,
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"volume": 123.4465134657687,
"volume_molar": 7.434122804220945,
"formula_full": "Sr1 Cr2 Bi1 O6",
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"energy": -77.50046145,
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{
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}