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{
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{
"id": "mp-775014",
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"structure_string": "Cr2 Fe3 Te1 P6 O24\n1.0\n7.384647 -4.375168 0.000000\n7.384647 4.375168 0.000000\n4.792499 0.000000 7.120889\nCr Fe Te P O\n2 3 1 6 24\ndirect\n0.996936 0.996936 0.996936 Cr\n0.501385 0.501385 0.501385 Cr\n0.852028 0.852028 0.852028 Fe\n0.647504 0.647504 0.647504 Fe\n0.354087 0.354087 0.354087 Fe\n0.147555 0.147555 0.147555 Te\n0.945419 0.253603 0.558161 P\n0.558161 0.945419 0.253603 P\n0.742235 0.457680 0.048824 P\n0.457680 0.048824 0.742235 P\n0.048824 0.742235 0.457680 P\n0.253603 0.558161 0.945419 P\n0.897107 0.669118 0.502637 O\n0.669118 0.502637 0.897107 O\n0.933935 0.095463 0.752898 O\n0.502637 0.897107 0.669118 O\n0.974658 0.178351 0.410715 O\n0.749329 0.408318 0.571643 O\n0.752898 0.933935 0.095463 O\n0.571643 0.749329 0.408318 O\n0.822086 0.605240 0.004817 O\n0.408318 0.571643 0.749329 O\n0.898044 0.255258 0.057361 O\n0.605240 0.004817 0.822086 O\n0.410715 0.974658 0.178351 O\n0.095463 0.752898 0.933935 O\n0.591617 0.440212 0.248345 O\n0.178351 0.410715 0.974658 O\n0.440212 0.248345 0.591617 O\n0.255258 0.057361 0.898044 O\n0.248345 0.591617 0.440212 O\n0.004817 0.822086 0.605240 O\n0.501992 0.108739 0.316701 O\n0.057361 0.898044 0.255258 O\n0.316701 0.501992 0.108739 O\n0.108739 0.316701 0.501992 O\n",
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{
"id": "mp-1178427",
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"structure_string": "Cr2 Fe3 Sn1 P6 O24\n1.0\n7.403747 -4.335704 0.000000\n7.403747 4.335704 0.000000\n4.864719 0.000000 7.067412\nCr Fe Sn P O\n2 3 1 6 24\ndirect\n0.003226 0.003226 0.003226 Cr\n0.499194 0.499194 0.499194 Cr\n0.146648 0.146648 0.146648 Fe\n0.353453 0.353453 0.353453 Fe\n0.645459 0.645459 0.645459 Fe\n0.854952 0.854952 0.854952 Sn\n0.953060 0.542044 0.254218 P\n0.254218 0.953060 0.542044 P\n0.542044 0.254218 0.953060 P\n0.449780 0.747343 0.049243 P\n0.747343 0.049243 0.449780 P\n0.049243 0.449780 0.747343 P\n0.503923 0.319512 0.107769 O\n0.107769 0.503923 0.319512 O\n0.254193 0.909390 0.062863 O\n0.319512 0.107769 0.503923 O\n0.603425 0.815362 0.015894 O\n0.435277 0.589320 0.246633 O\n0.909390 0.062863 0.254193 O\n0.589320 0.246633 0.435277 O\n0.994546 0.391241 0.181296 O\n0.246633 0.435277 0.589320 O\n0.939725 0.744218 0.092612 O\n0.181296 0.994546 0.391241 O\n0.815362 0.015894 0.603425 O\n0.062863 0.254193 0.909390 O\n0.753969 0.559845 0.410176 O\n0.015894 0.603425 0.815362 O\n0.410176 0.753969 0.559845 O\n0.092612 0.939725 0.744218 O\n0.559845 0.410176 0.753969 O\n0.391241 0.181296 0.994546 O\n0.683172 0.890046 0.496973 O\n0.744218 0.092612 0.939725 O\n0.890046 0.496973 0.683172 O\n0.496973 0.683172 0.890046 O\n",
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"formula_full": "Cr2 Fe3 Sn1 P6 O24",
"formula_reduced": "Cr2Fe3Sn(PO4)6",
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{
"id": "mp-776202",
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"structure_string": "Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n",
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"volume": 453.3775981600378,
"volume_molar": 7.584176982084624,
"formula_full": "Cr2 Fe3 Sb1 P6 O24",
"formula_reduced": "Cr2Fe3Sb(PO4)6",
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"energy": -284.18524031000004,
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{
"id": "mp-774903",
"created_at": "2022-09-04T14:39:34.187431Z",
"structure_string": "Cr2 Fe3 P6 W1 O24\n1.0\n7.529593 -4.342747 0.000000\n7.529593 4.342747 0.000000\n5.024883 0.000000 7.092586\nCr Fe P W O\n2 3 6 1 24\ndirect\n0.995585 0.995585 0.995585 Cr\n0.499620 0.499620 0.499620 Cr\n0.645632 0.645632 0.645632 Fe\n0.854179 0.854179 0.854179 Fe\n0.354338 0.354338 0.354338 Fe\n0.252427 0.546921 0.954213 P\n0.954213 0.252427 0.546921 P\n0.546921 0.954213 0.252427 P\n0.463108 0.044255 0.744716 P\n0.044255 0.744716 0.463108 P\n0.744716 0.463108 0.044255 P\n0.143533 0.143533 0.143533 W\n0.113717 0.311205 0.502670 O\n0.502670 0.113717 0.311205 O\n0.311205 0.502670 0.113717 O\n0.086262 0.735201 0.940236 O\n0.190129 0.384805 0.995190 O\n0.414267 0.554774 0.761965 O\n0.940236 0.086262 0.735201 O\n0.761965 0.414267 0.554774 O\n0.615873 0.006304 0.809126 O\n0.554774 0.761965 0.414267 O\n0.265199 0.064000 0.913479 O\n0.006304 0.809126 0.615873 O\n0.995190 0.190129 0.384805 O\n0.735201 0.940236 0.086262 O\n0.440259 0.239414 0.586301 O\n0.384805 0.995190 0.190129 O\n0.239414 0.586301 0.440259 O\n0.064000 0.913479 0.265199 O\n0.586301 0.440259 0.239414 O\n0.809126 0.615873 0.006304 O\n0.913479 0.265199 0.064000 O\n0.694023 0.491633 0.885419 O\n0.491633 0.885419 0.694023 O\n0.885419 0.694023 0.491633 O\n",
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"formula_full": "Cr2 Fe3 P6 W1 O24",
"formula_reduced": "Cr2Fe3P6WO24",
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{
"id": "mp-776011",
"created_at": "2022-09-04T14:45:24.204190Z",
"structure_string": "Cr2 Fe3 Ni1 P6 O24\n1.0\n7.205074 -4.314008 0.000000\n7.205074 4.314008 0.000000\n4.622080 0.000000 7.011428\nCr Fe Ni P O\n2 3 1 6 24\ndirect\n0.999029 0.999029 0.999029 Cr\n0.499448 0.499448 0.499448 Cr\n0.145771 0.145771 0.145771 Fe\n0.353070 0.353070 0.353070 Fe\n0.646774 0.646774 0.646774 Fe\n0.856568 0.856568 0.856568 Ni\n0.750809 0.049068 0.452103 P\n0.049068 0.452103 0.750809 P\n0.452103 0.750809 0.049068 P\n0.549723 0.249028 0.950175 P\n0.950175 0.549723 0.249028 P\n0.249028 0.950175 0.549723 P\n0.326606 0.104221 0.502554 O\n0.502554 0.326606 0.104221 O\n0.903171 0.063406 0.246863 O\n0.104221 0.502554 0.326606 O\n0.823361 0.011865 0.603731 O\n0.595344 0.253604 0.433651 O\n0.063406 0.246863 0.903171 O\n0.253604 0.433651 0.595344 O\n0.394770 0.173871 0.994994 O\n0.433651 0.595344 0.253604 O\n0.752003 0.098075 0.937362 O\n0.994994 0.394770 0.173871 O\n0.011865 0.603731 0.823361 O\n0.246863 0.903171 0.063406 O\n0.561823 0.404544 0.746905 O\n0.603731 0.823361 0.011865 O\n0.746905 0.561823 0.404544 O\n0.937362 0.752003 0.098075 O\n0.404544 0.746905 0.561823 O\n0.173871 0.994994 0.394770 O\n0.894608 0.495728 0.675374 O\n0.098075 0.937362 0.752003 O\n0.495728 0.675374 0.894608 O\n0.675374 0.894608 0.495728 O\n",
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{
"id": "mp-776010",
"created_at": "2022-09-04T14:46:29.994195Z",
"structure_string": "Cr2 Fe3 Cu1 P6 O24\n1.0\n7.196290 -4.310539 0.000000\n7.196290 4.310539 0.000000\n4.614300 0.000000 7.005396\nCr Fe Cu P O\n2 3 1 6 24\ndirect\n0.000827 0.000827 0.000827 Cr\n0.500530 0.500530 0.500530 Cr\n0.854848 0.854848 0.854848 Fe\n0.646547 0.646547 0.646547 Fe\n0.354247 0.354247 0.354247 Fe\n0.145887 0.145887 0.145887 Cu\n0.546671 0.951558 0.250057 P\n0.250057 0.546671 0.951558 P\n0.951558 0.250057 0.546671 P\n0.049458 0.751317 0.451724 P\n0.751317 0.451724 0.049458 P\n0.451724 0.049458 0.751317 P\n0.495231 0.894840 0.676041 O\n0.894840 0.676041 0.495231 O\n0.750616 0.939694 0.094990 O\n0.676041 0.495231 0.894840 O\n0.392765 0.982980 0.180648 O\n0.566942 0.746665 0.404544 O\n0.094990 0.750616 0.939694 O\n0.404544 0.566942 0.746665 O\n0.006237 0.825601 0.606202 O\n0.746665 0.404544 0.566942 O\n0.059376 0.905450 0.249001 O\n0.825601 0.606202 0.006237 O\n0.180648 0.392765 0.982980 O\n0.939694 0.094990 0.750616 O\n0.252738 0.596140 0.436540 O\n0.982980 0.180648 0.392765 O\n0.596140 0.436540 0.252738 O\n0.905450 0.249001 0.059376 O\n0.436540 0.252738 0.596140 O\n0.606202 0.006237 0.825601 O\n0.325250 0.501729 0.106107 O\n0.249001 0.059376 0.905450 O\n0.106107 0.325250 0.501729 O\n0.501729 0.106107 0.325250 O\n",
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{
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"structure_string": "Cr2 Fe3 Co1 P6 O24\n1.0\n7.180000 -4.287197 0.000000\n7.180000 4.287197 0.000000\n4.620104 0.000000 6.970445\nCr Fe Co P O\n2 3 1 6 24\ndirect\n0.000106 0.000106 0.000106 Cr\n0.499410 0.499410 0.499410 Cr\n0.145055 0.145055 0.145055 Fe\n0.353402 0.353402 0.353402 Fe\n0.646367 0.646367 0.646367 Fe\n0.859661 0.859661 0.859661 Co\n0.750075 0.045152 0.459954 P\n0.045152 0.459954 0.750075 P\n0.459954 0.750075 0.045152 P\n0.548950 0.246268 0.949638 P\n0.949638 0.548950 0.246268 P\n0.246268 0.949638 0.548950 P\n0.315454 0.106538 0.511461 O\n0.511461 0.315454 0.106538 O\n0.906635 0.057325 0.254020 O\n0.106538 0.511461 0.315454 O\n0.816623 0.008486 0.617756 O\n0.594804 0.251208 0.438737 O\n0.057325 0.254020 0.906635 O\n0.251208 0.438737 0.594804 O\n0.393425 0.173967 0.992662 O\n0.438737 0.594804 0.251208 O\n0.753388 0.086972 0.937303 O\n0.992662 0.393425 0.173967 O\n0.008486 0.617756 0.816623 O\n0.254020 0.906635 0.057325 O\n0.565227 0.402305 0.746721 O\n0.617756 0.816623 0.008486 O\n0.746721 0.565227 0.402305 O\n0.937303 0.753388 0.086972 O\n0.402305 0.746721 0.565227 O\n0.173967 0.992662 0.393425 O\n0.894286 0.497503 0.673156 O\n0.086972 0.937303 0.753388 O\n0.497503 0.673156 0.894286 O\n0.673156 0.894286 0.497503 O\n",
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{
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{
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"formula_full": "Cr2 Fe2 S8",
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