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{
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"structure_string": "Cr2 Re1 Mo1\n1.0\n-5.076764 5.158312 7.284917\n5.076764 -5.158312 7.284917\n5.076764 5.158312 -7.284917\nCr Re Mo\n2 1 1\ndirect\n0.720711 0.000000 0.720711 Cr\n0.279289 0.000000 0.279289 Cr\n0.500000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Mo\n",
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{
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{
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"structure_string": "Cr2 Pb6 N6\n1.0\n8.132420 -0.002122 0.000000\n-4.068058 7.043985 0.000000\n0.000000 0.000000 5.322559\nCr Pb N\n2 6 6\ndirect\n0.666897 0.333659 0.750000 Cr\n0.333103 0.666341 0.250000 Cr\n0.892332 0.597275 0.250000 Pb\n0.704938 0.107755 0.250000 Pb\n0.402850 0.295014 0.250000 Pb\n0.107668 0.402725 0.750000 Pb\n0.295062 0.892245 0.750000 Pb\n0.597150 0.704986 0.750000 Pb\n0.895964 0.524655 0.750000 N\n0.628770 0.104332 0.750000 N\n0.475576 0.371441 0.750000 N\n0.104036 0.475345 0.250000 N\n0.371230 0.895668 0.250000 N\n0.524424 0.628559 0.250000 N\n",
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"formula_full": "Cr2 Pb6 N6",
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"spacegroup": 176
},
{
"id": "mp-22373",
"created_at": "2022-09-04T14:42:06.099788Z",
"structure_string": "Cr2 Pb4 O10\n1.0\n2.914243 7.029533 0.000000\n-2.914243 7.029533 0.000000\n0.000000 2.818566 6.692394\nCr Pb O\n2 4 10\ndirect\n0.173746 0.173746 0.843641 Cr\n0.826254 0.826254 0.156359 Cr\n0.485151 0.485151 0.759723 Pb\n0.514849 0.514849 0.240277 Pb\n0.141956 0.141956 0.393315 Pb\n0.858044 0.858044 0.606685 Pb\n0.252949 0.747051 0.500000 O\n0.747051 0.252949 0.500000 O\n0.080079 0.619280 0.268729 O\n0.380720 0.919921 0.731271 O\n0.919921 0.380720 0.731271 O\n0.619280 0.080079 0.268729 O\n0.900699 0.900699 0.911491 O\n0.099301 0.099301 0.088509 O\n0.298429 0.298429 0.809051 O\n0.701571 0.701571 0.190949 O\n",
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"elements": [
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"formula_full": "Cr2 Pb4 O10",
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{
"id": "mp-1072023",
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"structure_string": "Cr2 Pb4\n1.0\n2.492063 5.731028 0.000000\n-2.492063 5.731028 0.000000\n0.000000 3.195700 5.611381\nCr Pb\n2 4\ndirect\n0.826655 0.826655 0.605240 Cr\n0.173345 0.173345 0.394760 Cr\n0.175600 0.175600 0.892213 Pb\n0.824400 0.824400 0.107787 Pb\n0.534013 0.534013 0.709781 Pb\n0.465987 0.465987 0.290219 Pb\n",
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"formula_full": "Cr2 Pb4",
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{
"id": "mp-1245847",
"created_at": "2022-09-04T14:44:21.756437Z",
"structure_string": "Cr2 Pb2 N4\n1.0\n3.617665 0.000000 0.000000\n0.000000 3.617665 0.000000\n0.000000 0.000000 9.790362\nCr Pb N\n2 2 4\ndirect\n0.750000 0.750000 0.570314 Cr\n0.250000 0.250000 0.429686 Cr\n0.750000 0.750000 0.131168 Pb\n0.250000 0.250000 0.868832 Pb\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.738731 N\n0.250000 0.250000 0.261269 N\n",
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"elements": [
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{
"id": "mp-687212",
"created_at": "2022-09-04T14:40:05.927715Z",
"structure_string": "Cr2 P8 O24\n1.0\n6.794301 -0.037396 2.752634\n-3.043876 6.614911 0.855592\n0.015638 -0.036484 9.799820\nCr P O\n2 8 24\ndirect\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.736381 0.271763 0.530158 P\n0.485288 0.305672 0.196586 P\n0.301897 0.266514 0.969842 P\n0.002229 0.681898 0.303415 P\n0.514712 0.694328 0.803414 P\n0.698103 0.733486 0.030158 P\n0.997771 0.318102 0.696585 P\n0.263619 0.728237 0.469842 P\n0.295481 0.689263 0.835059 O\n0.198719 0.667570 0.334579 O\n0.581773 0.781411 0.929669 O\n0.306973 0.189415 0.354514 O\n0.043943 0.661535 0.145450 O\n0.801281 0.332430 0.665421 O\n0.763099 0.905739 0.095637 O\n0.211084 0.511386 0.570338 O\n0.501142 0.858416 0.404359 O\n0.788916 0.488614 0.429662 O\n0.502247 0.533380 0.165404 O\n0.704519 0.310737 0.164941 O\n0.418227 0.218589 0.070331 O\n0.498858 0.141584 0.595641 O\n0.129023 0.331605 0.065413 O\n0.956057 0.338465 0.854550 O\n0.975630 0.869438 0.335051 O\n0.102923 0.805387 0.565358 O\n0.236901 0.094261 0.904363 O\n0.024370 0.130562 0.664949 O\n0.497753 0.466620 0.834596 O\n0.693027 0.810585 0.645486 O\n0.870977 0.668395 0.934587 O\n0.897077 0.194613 0.434642 O\n",
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{
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"structure_string": "Cr2 P8 O24\n1.0\n6.779360 4.859326 0.000000\n-6.779360 4.859326 0.000000\n0.000000 1.836794 7.475713\nCr P O\n2 8 24\ndirect\n0.867831 0.132169 0.250000 Cr\n0.132169 0.867831 0.750000 Cr\n0.749750 0.425156 0.378951 P\n0.574844 0.250250 0.121049 P\n0.795228 0.958491 0.669790 P\n0.425156 0.749750 0.878951 P\n0.250250 0.574844 0.621049 P\n0.204772 0.041509 0.330210 P\n0.041509 0.204772 0.830210 P\n0.958491 0.795228 0.169790 P\n0.610773 0.389227 0.250000 O\n0.870827 0.129173 0.750000 O\n0.129173 0.870827 0.250000 O\n0.344673 0.886500 0.816234 O\n0.746026 0.004609 0.492321 O\n0.630548 0.850740 0.814706 O\n0.113500 0.655327 0.683766 O\n0.858983 0.918725 0.168015 O\n0.918725 0.858983 0.668015 O\n0.385048 0.670379 0.068705 O\n0.389227 0.610773 0.750000 O\n0.329621 0.614952 0.431295 O\n0.004609 0.746026 0.992321 O\n0.149260 0.369452 0.685294 O\n0.850740 0.630548 0.314706 O\n0.253974 0.995391 0.507679 O\n0.670379 0.385048 0.568705 O\n0.995391 0.253974 0.007679 O\n0.614952 0.329621 0.931295 O\n0.081275 0.141017 0.331985 O\n0.141017 0.081275 0.831985 O\n0.886500 0.344673 0.316234 O\n0.369452 0.149260 0.185294 O\n0.655327 0.113500 0.183766 O\n",
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{
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{
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{
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"structure_string": "Cr2 P8 O24\n1.0\n4.131707 5.876991 0.000000\n-4.131707 5.876991 0.000000\n0.000000 4.868756 8.830726\nCr P O\n2 8 24\ndirect\n0.553945 0.446055 0.250000 Cr\n0.446055 0.553945 0.750000 Cr\n0.746416 0.234236 0.981322 P\n0.765764 0.253584 0.518678 P\n0.188487 0.212424 0.306744 P\n0.212424 0.188487 0.806744 P\n0.787576 0.811513 0.193256 P\n0.811513 0.787576 0.693256 P\n0.234236 0.746416 0.481322 P\n0.253584 0.765764 0.018678 P\n0.584056 0.349031 0.902775 O\n0.966834 0.207958 0.855070 O\n0.650969 0.415944 0.597225 O\n0.759743 0.305486 0.098019 O\n0.309612 0.150296 0.657182 O\n0.250493 0.382268 0.809493 O\n0.382268 0.250493 0.309493 O\n0.002188 0.284954 0.442610 O\n0.150296 0.309612 0.157182 O\n0.694514 0.240257 0.401981 O\n0.792042 0.033166 0.644930 O\n0.284954 0.002188 0.942610 O\n0.715046 0.997812 0.057390 O\n0.207958 0.966834 0.355070 O\n0.305486 0.759743 0.598019 O\n0.849704 0.690388 0.842818 O\n0.997812 0.715046 0.557390 O\n0.617732 0.749507 0.690507 O\n0.749507 0.617732 0.190507 O\n0.690388 0.849704 0.342818 O\n0.240257 0.694514 0.901981 O\n0.349031 0.584056 0.402775 O\n0.033166 0.792042 0.144930 O\n0.415944 0.650969 0.097225 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Cr-O-P",
"density": 2.8489116733658104,
"density_atomic": 0.0792807901930162,
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"formula_full": "Cr2 P8 O24",
"formula_reduced": "Cr(PO3)4",
"formula_anonymous": "AB4C12",
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"updated_at": "2021-11-28T01:37:03.386000Z",
"spacegroup": 15
},
{
"id": "mp-540424",
"created_at": "2022-09-04T14:39:22.215362Z",
"structure_string": "Cr2 P8 O24\n1.0\n13.567851 0.000000 0.000000\n0.000000 5.158520 0.000000\n0.000000 1.359805 7.317399\nCr P O\n2 8 24\ndirect\n0.232622 0.996616 0.507036 Cr\n0.732622 0.003384 0.492964 Cr\n0.177881 0.632984 0.898613 P\n0.677881 0.367016 0.101387 P\n0.595949 0.524370 0.433319 P\n0.095949 0.475630 0.566681 P\n0.870352 0.480832 0.557279 P\n0.370352 0.519168 0.442721 P\n0.321565 0.281354 0.130212 P\n0.821565 0.718646 0.869788 P\n0.611506 0.796858 0.475960 O\n0.111506 0.203142 0.524040 O\n0.351545 0.528624 0.229120 O\n0.851545 0.471376 0.770880 O\n0.268578 0.426710 0.949252 O\n0.768578 0.573290 0.050748 O\n0.108550 0.466447 0.780956 O\n0.608550 0.533553 0.219044 O\n0.483698 0.446920 0.472413 O\n0.983698 0.553080 0.527587 O\n0.625953 0.303593 0.942160 O\n0.125953 0.696407 0.057840 O\n0.655343 0.303996 0.542339 O\n0.155343 0.696004 0.457661 O\n0.313933 0.294666 0.555882 O\n0.813933 0.705334 0.444118 O\n0.854657 0.210701 0.511575 O\n0.354657 0.789299 0.488425 O\n0.726022 0.141808 0.237149 O\n0.226022 0.858192 0.762851 O\n0.240555 0.127119 0.251783 O\n0.740555 0.872881 0.748217 O\n0.407346 0.125450 0.089870 O\n0.907346 0.874550 0.910130 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Cr-O-P",
"density": 2.3855966195162503,
"density_atomic": 0.06638745133631643,
"volume": 512.1449809506503,
"volume_molar": 9.071203425918632,
"formula_full": "Cr2 P8 O24",
"formula_reduced": "Cr(PO3)4",
"formula_anonymous": "AB4C12",
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"formation_energy": null,
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"total_magnetization": 3.9988314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.694000Z",
"spacegroup": 4
}
]
}