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{
"id": "mp-976972",
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{
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{
"id": "mp-1220143",
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"structure_string": "Ni4 O6\n1.0\n2.785874 4.733447 0.000000\n-2.785874 4.733447 0.000000\n0.000000 3.270051 5.017548\nNi O\n4 6\ndirect\n0.181814 0.994937 0.500077 Ni\n0.829114 0.661701 0.509206 Ni\n0.994937 0.181814 0.000077 Ni\n0.661701 0.829114 0.009206 Ni\n0.288601 0.093195 0.128660 O\n0.918889 0.827864 0.134383 O\n0.657290 0.463311 0.102675 O\n0.093195 0.288601 0.628660 O\n0.827864 0.918889 0.634383 O\n0.463311 0.657290 0.602675 O\n",
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"formula_full": "Ni4 O6",
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{
"id": "mp-1216833",
"created_at": "2022-09-04T14:46:06.576297Z",
"structure_string": "Ti2 Nb2 Sb2 O12\n1.0\n4.917002 0.000000 0.000000\n-0.063199 5.613249 0.000000\n-2.454552 -0.284384 8.377112\nTi Nb Sb O\n2 2 2 12\ndirect\n0.932690 0.679982 0.348177 Ti\n0.067310 0.320018 0.651823 Ti\n0.587229 0.816168 0.650570 Nb\n0.412771 0.183832 0.349430 Nb\n0.305418 0.743884 0.001202 Sb\n0.694582 0.256116 0.998798 Sb\n0.654901 0.584243 0.137591 O\n0.519688 0.914900 0.865044 O\n0.345099 0.415757 0.862410 O\n0.480312 0.085100 0.134956 O\n0.660260 0.844448 0.436917 O\n0.219525 0.654570 0.560077 O\n0.339740 0.155552 0.563083 O\n0.780475 0.345430 0.439923 O\n0.094220 0.924492 0.279377 O\n0.821576 0.565631 0.722430 O\n0.905780 0.075508 0.720623 O\n0.178424 0.434369 0.277570 O\n",
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{
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"structure_string": "Mg2 Bi4 O12\n1.0\n5.466725 0.000000 0.000000\n0.000000 5.818513 0.000000\n0.000000 0.000000 7.994152\nMg Bi O\n2 4 12\ndirect\n0.539018 0.325101 0.500000 Mg\n0.039018 0.674899 0.000000 Mg\n0.509436 0.760112 0.749023 Bi\n0.009436 0.239888 0.750977 Bi\n0.009436 0.239888 0.249023 Bi\n0.509436 0.760112 0.250977 Bi\n0.663358 0.080609 0.319121 O\n0.163358 0.919391 0.180879 O\n0.780277 0.514402 0.667821 O\n0.280277 0.485598 0.832179 O\n0.280277 0.485598 0.167821 O\n0.780277 0.514402 0.332179 O\n0.163358 0.919391 0.819121 O\n0.663358 0.080609 0.680879 O\n0.174361 0.209589 0.500000 O\n0.674361 0.790411 0.000000 O\n0.390750 0.669931 0.500000 O\n0.890750 0.330069 0.000000 O\n",
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{
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"structure_string": "K8 V4 P4 C4 O28\n1.0\n-0.002952 6.764196 0.025207\n0.180540 0.041928 11.257717\n9.784739 -0.004818 -0.080553\nK V P C O\n8 4 4 4 28\ndirect\n0.478690 0.124853 0.236704 K\n0.476486 0.625653 0.237481 K\n0.024938 0.120897 0.236680 K\n0.022076 0.621660 0.233740 K\n0.525358 0.375492 0.761519 K\n0.519492 0.874185 0.765448 K\n0.979446 0.378532 0.766817 K\n0.974887 0.878616 0.763666 K\n0.749489 0.887765 0.361263 V\n0.250248 0.112615 0.640678 V\n0.747519 0.388205 0.359610 V\n0.252145 0.611333 0.638943 V\n0.247604 0.361295 0.433008 P\n0.251553 0.861887 0.433757 P\n0.750063 0.138743 0.566371 P\n0.751099 0.637646 0.566196 P\n0.749181 0.365745 0.105248 C\n0.749381 0.866131 0.106337 C\n0.250609 0.134583 0.894628 C\n0.250870 0.633956 0.894042 C\n0.250403 0.146268 0.021250 O\n0.250158 0.646452 0.020665 O\n0.750289 0.353289 0.978645 O\n0.749126 0.853932 0.979685 O\n0.741523 0.469012 0.168255 O\n0.744312 0.969198 0.169728 O\n0.248688 0.031416 0.830812 O\n0.259622 0.530798 0.830976 O\n0.755842 0.275947 0.194041 O\n0.754845 0.776208 0.194833 O\n0.252725 0.224789 0.806357 O\n0.242738 0.723570 0.805202 O\n0.753089 0.055312 0.440003 O\n0.751219 0.555674 0.438462 O\n0.248014 0.442849 0.561492 O\n0.248891 0.944650 0.560822 O\n0.248438 0.227181 0.475852 O\n0.259070 0.728599 0.480875 O\n0.742945 0.271825 0.520337 O\n0.745496 0.771107 0.519846 O\n0.059512 0.386671 0.345806 O\n0.062419 0.883371 0.346792 O\n0.436214 0.386417 0.346588 O\n0.438378 0.887138 0.346130 O\n0.561951 0.113185 0.653267 O\n0.563871 0.612955 0.653642 O\n0.939380 0.117703 0.654298 O\n0.939709 0.614691 0.653203 O\n",
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{
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"formula_full": "Ca1 Te1",
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{
"id": "mp-1102507",
"created_at": "2022-09-04T14:46:08.046028Z",
"structure_string": "Nd4 Mn8\n1.0\n-2.755650 -4.469788 0.000000\n-2.755650 4.469788 0.000000\n0.000000 0.000000 -8.847382\nNd Mn\n4 8\ndirect\n0.663892 0.336108 0.938601 Nd\n0.336108 0.663892 0.061399 Nd\n0.663892 0.336108 0.561399 Nd\n0.336108 0.663892 0.438601 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.145821 0.854179 0.750000 Mn\n0.854179 0.145821 0.250000 Mn\n0.661442 0.857131 0.750000 Mn\n0.857131 0.661442 0.250000 Mn\n0.338558 0.142869 0.250000 Mn\n0.142869 0.338558 0.750000 Mn\n",
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{
"id": "mp-1246378",
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"structure_string": "Mg8 V2 N8\n1.0\n5.399312 -0.063603 -0.119105\n1.954784 5.035180 0.092957\n1.290095 2.369859 7.842554\nMg V N\n8 2 8\ndirect\n0.727983 0.627148 0.203367 Mg\n0.272017 0.372852 0.796633 Mg\n0.755228 0.245571 0.997872 Mg\n0.244772 0.754429 0.002128 Mg\n0.744112 0.468308 0.580435 Mg\n0.255888 0.531692 0.419565 Mg\n0.252796 0.944643 0.593332 Mg\n0.747204 0.055357 0.406668 Mg\n0.727931 0.843551 0.765836 V\n0.272069 0.156449 0.234164 V\n0.991285 0.697542 0.619201 N\n0.008715 0.302458 0.380799 N\n0.833876 0.851671 0.961818 N\n0.166124 0.148329 0.038182 N\n0.513614 0.613798 0.804028 N\n0.486386 0.386202 0.195972 N\n0.489854 0.817567 0.379230 N\n0.510146 0.182433 0.620770 N\n",
"nsites": 18,
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"elements": [
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"V",
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"density": 3.180527514727474,
"density_atomic": 0.08442318170152159,
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"formula_anonymous": "AB4C4",
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"spacegroup": 2
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{
"id": "mp-1224612",
"created_at": "2022-09-04T14:46:06.608547Z",
"structure_string": "Hf20 Fe3 Sb9\n1.0\n0.000000 0.000000 5.544175\n-5.484253 5.484253 -2.772087\n-10.985891 -10.985891 0.000000\nHf Fe Sb\n20 3 9\ndirect\n0.435795 0.871365 0.365111 Hf\n0.919198 0.859455 0.854889 Hf\n0.059743 0.140545 0.145111 Hf\n0.564430 0.128635 0.634889 Hf\n0.654948 0.290671 0.070494 Hf\n0.134148 0.266567 0.563889 Hf\n0.867582 0.733433 0.436111 Hf\n0.364278 0.709329 0.929506 Hf\n0.845052 0.709329 0.070494 Hf\n0.365852 0.733433 0.563889 Hf\n0.632418 0.266567 0.436111 Hf\n0.135722 0.290671 0.929506 Hf\n0.064205 0.128635 0.365111 Hf\n0.580802 0.140545 0.854889 Hf\n0.440257 0.859455 0.145111 Hf\n0.935570 0.871365 0.634889 Hf\n0.500220 0.500388 0.249281 Hf\n0.999832 0.499612 0.750719 Hf\n0.999780 0.499612 0.249281 Hf\n0.500168 0.500388 0.750719 Hf\n0.750000 0.000000 0.500000 Fe\n0.750000 0.000000 0.000000 Fe\n0.250000 0.000000 0.500000 Fe\n0.916105 0.828898 0.250236 Sb\n0.412793 0.828898 0.749764 Sb\n0.583895 0.171102 0.250236 Sb\n0.087207 0.171102 0.749764 Sb\n0.250000 0.500000 0.085419 Sb\n0.750000 0.500000 0.585921 Sb\n0.250000 0.500000 0.414079 Sb\n0.750000 0.500000 0.914581 Sb\n0.250000 0.000000 0.000000 Sb\n",
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"elements": [
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],
"chemical_system": "Fe-Hf-Sb",
"density": 12.013288997920137,
"density_atomic": 0.04789942337186503,
"volume": 668.0664974099883,
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"formula_full": "Hf20 Fe3 Sb9",
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"updated_at": "2021-11-28T01:37:17.239000Z",
"spacegroup": 21
}
]
}