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{
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{
"id": "mp-1100009",
"created_at": "2022-09-04T14:44:18.757077Z",
"structure_string": "Sr16 Ca16 Fe4 Co28 O80\n1.0\n0.050726 -0.004110 10.766386\n11.186751 0.002935 0.052473\n-5.614578 15.590713 -5.414758\nSr Ca Fe Co O\n16 16 4 28 80\ndirect\n0.304944 0.561854 0.609318 Sr\n0.808327 0.060398 0.608945 Sr\n0.808282 0.562686 0.611349 Sr\n0.193068 0.435577 0.385139 Sr\n0.194020 0.438963 0.892719 Sr\n0.693788 0.435893 0.383879 Sr\n0.696680 0.936304 0.384394 Sr\n0.698995 0.938093 0.890889 Sr\n0.058945 0.293124 0.608392 Sr\n0.059458 0.801780 0.610449 Sr\n0.555473 0.295588 0.609688 Sr\n0.557168 0.799337 0.611108 Sr\n0.441848 0.198230 0.385064 Sr\n0.447798 0.203041 0.888950 Sr\n0.947556 0.198344 0.385696 Sr\n0.945108 0.200236 0.889653 Sr\n0.307948 0.065919 0.110405 Ca\n0.306158 0.063075 0.603672 Ca\n0.302770 0.570693 0.112442 Ca\n0.803294 0.067491 0.111008 Ca\n0.804281 0.569704 0.112957 Ca\n0.198956 0.933197 0.390422 Ca\n0.198568 0.932772 0.894202 Ca\n0.696600 0.433338 0.894417 Ca\n0.056076 0.290836 0.111474 Ca\n0.056374 0.793145 0.112161 Ca\n0.551377 0.292392 0.109902 Ca\n0.550521 0.794583 0.109266 Ca\n0.443376 0.705264 0.389096 Ca\n0.442445 0.713762 0.894273 Ca\n0.949232 0.709141 0.389531 Ca\n0.946346 0.709435 0.895001 Ca\n0.107424 0.596673 0.753469 Fe\n0.610919 0.592348 0.755151 Fe\n0.363159 0.412276 0.754857 Fe\n0.357766 0.909415 0.751834 Fe\n0.011433 0.001505 0.007412 Co\n0.004941 0.997798 0.496362 Co\n0.006805 0.504661 0.006277 Co\n0.002277 0.500326 0.498069 Co\n0.506715 0.000194 0.005279 Co\n0.502237 0.997375 0.496330 Co\n0.506207 0.504244 0.003627 Co\n0.502465 0.499640 0.499007 Co\n0.258512 0.253669 0.007399 Co\n0.252854 0.246859 0.498215 Co\n0.255926 0.752873 0.003913 Co\n0.253353 0.749789 0.498163 Co\n0.760418 0.257295 0.011776 Co\n0.752081 0.248455 0.496339 Co\n0.757253 0.750898 0.002840 Co\n0.751467 0.746536 0.492878 Co\n0.107218 0.086511 0.244967 Co\n0.114051 0.092906 0.752529 Co\n0.106778 0.596444 0.246967 Co\n0.606676 0.088824 0.244771 Co\n0.607629 0.097320 0.748616 Co\n0.605775 0.593574 0.245009 Co\n0.356432 0.409002 0.246249 Co\n0.355610 0.900266 0.247632 Co\n0.857349 0.409864 0.246884 Co\n0.858020 0.409539 0.755552 Co\n0.860135 0.900010 0.244667 Co\n0.865624 0.904988 0.752694 Co\n0.127345 0.116029 0.489090 O\n0.135615 0.129032 0.994622 O\n0.120348 0.624608 0.485911 O\n0.121901 0.631139 0.992867 O\n0.624338 0.122709 0.491222 O\n0.635262 0.136238 0.998419 O\n0.619980 0.623160 0.484876 O\n0.628302 0.633138 0.990310 O\n0.128766 0.389380 0.017731 O\n0.131866 0.374446 0.505771 O\n0.133147 0.886927 0.012362 O\n0.133190 0.878756 0.502576 O\n0.633323 0.392868 0.017437 O\n0.626238 0.381347 0.502630 O\n0.634212 0.890638 0.016339 O\n0.633217 0.866969 0.500414 O\n0.368107 0.114422 0.487489 O\n0.382596 0.111576 0.993251 O\n0.377712 0.616806 0.489059 O\n0.381269 0.616680 0.994574 O\n0.875651 0.118203 0.492040 O\n0.885020 0.113629 0.997700 O\n0.869093 0.627594 0.488992 O\n0.875238 0.607152 0.991450 O\n0.379535 0.377828 0.016034 O\n0.377922 0.375777 0.505653 O\n0.386403 0.880279 0.016381 O\n0.379798 0.876315 0.503645 O\n0.878525 0.376061 0.014832 O\n0.877301 0.378009 0.504244 O\n0.885703 0.873222 0.016568 O\n0.882709 0.875917 0.502514 O\n0.095677 0.100098 0.140416 O\n0.091378 0.086599 0.643851 O\n0.085672 0.605710 0.140406 O\n0.075952 0.594769 0.640618 O\n0.589849 0.105565 0.140906 O\n0.579756 0.087498 0.638926 O\n0.586845 0.606971 0.140181 O\n0.581525 0.590689 0.641790 O\n0.433241 0.405552 0.353365 O\n0.451489 0.407456 0.865888 O\n0.436765 0.899906 0.355883 O\n0.449104 0.900756 0.862476 O\n0.932462 0.406074 0.353530 O\n0.941838 0.402980 0.862191 O\n0.939556 0.900457 0.352906 O\n0.949032 0.901092 0.861661 O\n0.342327 0.287485 0.142242 O\n0.337718 0.290331 0.647056 O\n0.336466 0.786080 0.142257 O\n0.329495 0.794062 0.641198 O\n0.846521 0.288831 0.143172 O\n0.832182 0.305650 0.647621 O\n0.842161 0.782635 0.139861 O\n0.832593 0.798762 0.643600 O\n0.182546 0.198634 0.350269 O\n0.192238 0.207274 0.859895 O\n0.193232 0.704875 0.352711 O\n0.203552 0.714438 0.861188 O\n0.684201 0.194485 0.353007 O\n0.685252 0.210320 0.857057 O\n0.694956 0.697879 0.352574 O\n0.708025 0.710146 0.862659 O\n0.426057 0.054329 0.240427 O\n0.425337 0.062779 0.744070 O\n0.426027 0.569245 0.247146 O\n0.433116 0.574743 0.759764 O\n0.925691 0.056248 0.238887 O\n0.936208 0.061944 0.750895 O\n0.926611 0.569940 0.248173 O\n0.933255 0.573147 0.761258 O\n0.174336 0.433407 0.239560 O\n0.183703 0.439275 0.752409 O\n0.175234 0.926945 0.247756 O\n0.183778 0.934701 0.760675 O\n0.674061 0.430708 0.237785 O\n0.677713 0.434034 0.759398 O\n0.678368 0.928355 0.238838 O\n0.687981 0.943020 0.753010 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.595756446308566,
"density_atomic": 0.07669175013335112,
"volume": 1877.6465493304524,
"volume_molar": 7.852397095552964,
"formula_full": "Sr16 Ca16 Fe4 Co28 O80",
"formula_reduced": "Sr4Ca4FeCo7O20",
"formula_anonymous": "AB4C4D7E20",
"energy": -1000.51880576,
"energy_per_atom": -6.948047262222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -890.6708057599999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 118.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.847000Z",
"spacegroup": 1
},
{
"id": "mp-1244939",
"created_at": "2022-09-04T14:48:24.294570Z",
"structure_string": "Co40 O40\n1.0\n10.355908 -0.023106 -0.108016\n-0.020895 9.399494 0.238391\n-0.107921 0.226933 10.258469\nCo O\n40 40\ndirect\n0.182435 0.245453 0.106243 Co\n0.127887 0.552960 0.215603 Co\n0.985751 0.289576 0.800260 Co\n0.648253 0.663381 0.950985 Co\n0.223678 0.886963 0.129857 Co\n0.697891 0.945377 0.077945 Co\n0.906269 0.985582 0.852240 Co\n0.415808 0.234839 0.295760 Co\n0.694347 0.764122 0.658200 Co\n0.113097 0.364363 0.541239 Co\n0.444634 0.837567 0.380965 Co\n0.699376 0.359510 0.153649 Co\n0.333144 0.473050 0.359997 Co\n0.021604 0.074205 0.337590 Co\n0.018508 0.695918 0.469869 Co\n0.280780 0.598176 0.623376 Co\n0.495696 0.463547 0.027920 Co\n0.774346 0.822048 0.400214 Co\n0.918302 0.583404 0.700430 Co\n0.639981 0.165980 0.859489 Co\n0.601860 0.566294 0.428527 Co\n0.936025 0.847465 0.168862 Co\n0.413048 0.693457 0.895350 Co\n0.122350 0.761860 0.816782 Co\n0.485888 0.719268 0.140725 Co\n0.755456 0.311606 0.623565 Co\n0.019436 0.488283 0.994947 Co\n0.454260 0.092536 0.092215 Co\n0.773076 0.430114 0.909564 Co\n0.898452 0.192262 0.100490 Co\n0.321050 0.317877 0.823427 Co\n0.691560 0.118591 0.364922 Co\n0.276717 0.009060 0.878894 Co\n0.891341 0.047605 0.602260 Co\n0.893256 0.389367 0.384054 Co\n0.469959 0.264029 0.577008 Co\n0.782903 0.605466 0.195082 Co\n0.157901 0.093316 0.660804 Co\n0.551777 0.494154 0.750116 Co\n0.408584 0.880665 0.656820 Co\n0.717603 0.462846 0.313913 O\n0.840214 0.885743 0.718151 O\n0.269712 0.811712 0.945942 O\n0.155445 0.291955 0.727516 O\n0.307052 0.176510 0.982248 O\n0.612423 0.775526 0.464572 O\n0.987748 0.629929 0.874268 O\n0.054999 0.508416 0.384211 O\n0.132643 0.060218 0.186646 O\n0.707885 0.943071 0.267409 O\n0.408384 0.900517 0.193342 O\n0.093469 0.745568 0.170843 O\n0.103792 0.667004 0.642843 O\n0.448030 0.613614 0.303783 O\n0.729344 0.580930 0.790869 O\n0.363352 0.525951 0.796217 O\n0.772521 0.751070 0.071521 O\n0.044362 0.137708 0.514581 O\n0.253862 0.311143 0.276081 O\n0.503905 0.139847 0.424343 O\n0.832297 0.686013 0.524381 O\n0.087314 0.971262 0.810172 O\n0.521911 0.295806 0.147464 O\n0.340711 0.769831 0.523556 O\n0.866319 0.449802 0.113070 O\n0.923394 0.401698 0.598096 O\n0.828198 0.171259 0.784811 O\n0.188195 0.464646 0.066630 O\n0.728333 0.260273 0.007601 O\n0.600598 0.428877 0.574706 O\n0.307538 0.408697 0.533983 O\n0.738122 0.133075 0.541518 O\n0.562704 0.011548 0.963999 O\n0.504062 0.279718 0.773277 O\n0.883282 0.998300 0.032797 O\n0.867787 0.204852 0.292913 O\n0.032365 0.273151 0.987831 O\n0.533233 0.765643 0.753689 O\n0.947510 0.870920 0.364291 O\n0.340029 0.053852 0.697345 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.987670323573479,
"density_atomic": 0.08016925815371585,
"volume": 997.8887399283237,
"volume_molar": 7.511783068334247,
"formula_full": "Co40 O40",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy": -552.24904457,
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"band_gap": 0.2519,
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"updated_at": "2021-11-28T01:39:14.238000Z",
"spacegroup": 1
},
{
"id": "mp-1099816",
"created_at": "2022-09-04T14:47:27.815822Z",
"structure_string": "Sr20 Ca12 Fe4 Co28 O80\n1.0\n0.057740 -0.005199 10.799978\n11.209542 0.010161 0.060098\n-5.619519 15.719327 -5.436137\nSr Ca Fe Co O\n20 12 4 28 80\ndirect\n0.307508 0.059479 0.608914 Sr\n0.305577 0.566026 0.609251 Sr\n0.807010 0.060365 0.610689 Sr\n0.812317 0.560627 0.612368 Sr\n0.194357 0.437727 0.383542 Sr\n0.199796 0.437710 0.894068 Sr\n0.694865 0.434999 0.383480 Sr\n0.693774 0.935012 0.383458 Sr\n0.701500 0.939671 0.891870 Sr\n0.057560 0.295673 0.610399 Sr\n0.059103 0.802530 0.610952 Sr\n0.560820 0.295758 0.611406 Sr\n0.556347 0.800922 0.611490 Sr\n0.442857 0.198823 0.383120 Sr\n0.446734 0.206748 0.892574 Sr\n0.440754 0.697132 0.383289 Sr\n0.452592 0.704592 0.894283 Sr\n0.946443 0.198640 0.383434 Sr\n0.943473 0.199652 0.891461 Sr\n0.946745 0.701112 0.383618 Sr\n0.303809 0.063745 0.109162 Ca\n0.304198 0.566782 0.108821 Ca\n0.802695 0.067983 0.108832 Ca\n0.802997 0.569740 0.108905 Ca\n0.191825 0.931985 0.388176 Ca\n0.191645 0.934710 0.894383 Ca\n0.698230 0.435695 0.896303 Ca\n0.048365 0.290072 0.110116 Ca\n0.060507 0.794513 0.110625 Ca\n0.548522 0.293564 0.109544 Ca\n0.556131 0.793067 0.109736 Ca\n0.954072 0.712586 0.896938 Ca\n0.106870 0.597279 0.755253 Fe\n0.616110 0.591360 0.755278 Fe\n0.362082 0.411212 0.751555 Fe\n0.358986 0.912357 0.755919 Fe\n0.011263 0.004707 0.010742 Co\n0.001888 0.998467 0.496337 Co\n0.007164 0.504158 0.005761 Co\n0.003611 0.500537 0.498689 Co\n0.505633 0.002115 0.003569 Co\n0.498922 0.996314 0.493327 Co\n0.510944 0.504505 0.008284 Co\n0.505451 0.503835 0.504004 Co\n0.256637 0.252800 0.008683 Co\n0.252701 0.247619 0.499146 Co\n0.260457 0.752964 0.004904 Co\n0.252402 0.751242 0.499502 Co\n0.756439 0.255506 0.009273 Co\n0.750739 0.245247 0.492583 Co\n0.762014 0.751576 0.004800 Co\n0.753515 0.748770 0.497572 Co\n0.106952 0.087290 0.246551 Co\n0.110282 0.092984 0.753350 Co\n0.104354 0.591985 0.241614 Co\n0.605066 0.087724 0.243554 Co\n0.611160 0.098417 0.752458 Co\n0.606207 0.590339 0.243920 Co\n0.354053 0.403925 0.242143 Co\n0.355614 0.903279 0.246433 Co\n0.856420 0.405674 0.244359 Co\n0.860289 0.410401 0.758355 Co\n0.860470 0.903838 0.243146 Co\n0.863582 0.903656 0.750812 Co\n0.119512 0.113736 0.487572 O\n0.118463 0.113661 0.994750 O\n0.121818 0.620706 0.490145 O\n0.122006 0.618534 0.994574 O\n0.621279 0.117347 0.491467 O\n0.619455 0.122379 0.999349 O\n0.619645 0.611363 0.491745 O\n0.630684 0.615725 0.991504 O\n0.137382 0.370945 0.015845 O\n0.136699 0.370835 0.503360 O\n0.142269 0.882525 0.015578 O\n0.128643 0.876585 0.500323 O\n0.631629 0.385356 0.016126 O\n0.636722 0.366894 0.503269 O\n0.648862 0.875590 0.018350 O\n0.631627 0.866208 0.502048 O\n0.367219 0.124133 0.488868 O\n0.362391 0.122625 0.991758 O\n0.371527 0.622580 0.489693 O\n0.385789 0.619912 0.999074 O\n0.871636 0.125338 0.493227 O\n0.874289 0.121655 0.996991 O\n0.869107 0.625935 0.491681 O\n0.875759 0.629587 0.991706 O\n0.387641 0.389146 0.020646 O\n0.389334 0.385072 0.504385 O\n0.396141 0.890475 0.016351 O\n0.376624 0.880492 0.500139 O\n0.887578 0.393950 0.015056 O\n0.883821 0.379686 0.503891 O\n0.898555 0.889193 0.015582 O\n0.880749 0.883461 0.502814 O\n0.094535 0.102370 0.143341 O\n0.082357 0.088656 0.644474 O\n0.090394 0.603245 0.137440 O\n0.078268 0.596228 0.643557 O\n0.586967 0.105118 0.141453 O\n0.579885 0.090587 0.642787 O\n0.596621 0.608115 0.142731 O\n0.586748 0.590438 0.642192 O\n0.433341 0.406043 0.350004 O\n0.447882 0.406898 0.861249 O\n0.438076 0.908463 0.355078 O\n0.451203 0.909064 0.866848 O\n0.933749 0.409296 0.353202 O\n0.942762 0.405409 0.864636 O\n0.939234 0.909843 0.352051 O\n0.947755 0.896216 0.856470 O\n0.337839 0.282788 0.140038 O\n0.330211 0.297337 0.639314 O\n0.340569 0.787505 0.143166 O\n0.329815 0.802260 0.643439 O\n0.842950 0.286595 0.143063 O\n0.834042 0.306603 0.650061 O\n0.848113 0.786119 0.140702 O\n0.829401 0.800649 0.639701 O\n0.183948 0.198380 0.353899 O\n0.189486 0.206866 0.858326 O\n0.181045 0.702558 0.347870 O\n0.197609 0.714786 0.863722 O\n0.685193 0.192709 0.354440 O\n0.687877 0.210891 0.859418 O\n0.684203 0.693845 0.353825 O\n0.703502 0.709729 0.863067 O\n0.424996 0.057562 0.239817 O\n0.432704 0.065280 0.752846 O\n0.425352 0.558851 0.237921 O\n0.435291 0.567590 0.751861 O\n0.925147 0.060268 0.238284 O\n0.933143 0.061882 0.752176 O\n0.924821 0.560118 0.238257 O\n0.932419 0.572807 0.762155 O\n0.173545 0.431516 0.237992 O\n0.184941 0.440788 0.753354 O\n0.175270 0.928030 0.247758 O\n0.183205 0.935764 0.760751 O\n0.674028 0.429535 0.238449 O\n0.679608 0.432974 0.760594 O\n0.678304 0.929070 0.238514 O\n0.687384 0.941003 0.752763 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.699800267073787,
"density_atomic": 0.07565927050329103,
"volume": 1903.2697386863686,
"volume_molar": 7.959554354595645,
"formula_full": "Sr20 Ca12 Fe4 Co28 O80",
"formula_reduced": "Sr5Ca3FeCo7O20",
"formula_anonymous": "AB3C5D7E20",
"energy": -998.7066235,
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"energy_uncorrected": -888.8586235,
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"updated_at": "2021-11-28T01:38:11.919000Z",
"spacegroup": 1
},
{
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{
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{
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"structure_string": "Ca1 Mn25 Fe1 Si4 Sb1 O44\n1.0\n-3.393746 -5.878698 -0.000032\n6.789118 -0.001000 -11.353691\n10.177040 -5.876275 -0.004461\nCa Mn Fe Si Sb O\n1 25 1 4 1 44\ndirect\n0.499692 0.999555 0.499861 Ca\n0.249367 0.999909 0.750781 Mn\n0.750501 0.999956 0.249230 Mn\n0.999042 0.998112 0.500902 Mn\n0.500971 0.001842 0.999095 Mn\n0.750526 0.999914 0.750809 Mn\n0.249454 0.999955 0.249240 Mn\n0.003892 0.499552 0.994554 Mn\n0.495942 0.500319 0.505451 Mn\n0.749872 0.499789 0.750008 Mn\n0.250202 0.500455 0.249785 Mn\n0.495685 0.499566 0.994514 Mn\n0.004405 0.500308 0.505517 Mn\n0.000082 0.999927 0.000565 Mn\n0.364986 0.232746 0.467306 Mn\n0.867263 0.234199 0.966525 Mn\n0.867623 0.232668 0.467314 Mn\n0.366925 0.234293 0.966458 Mn\n0.116678 0.233309 0.716722 Mn\n0.616843 0.233752 0.215432 Mn\n0.632842 0.764285 0.533841 Mn\n0.134551 0.768770 0.032463 Mn\n0.131301 0.764159 0.533870 Mn\n0.634280 0.768851 0.032477 Mn\n0.883940 0.767819 0.282663 Mn\n0.382510 0.765043 0.785015 Mn\n0.250143 0.500194 0.749937 Fe\n0.867888 0.735810 0.798250 Si\n0.368013 0.736009 0.299187 Si\n0.132072 0.264160 0.200287 Si\n0.632080 0.264067 0.702288 Si\n0.749932 0.499825 0.250162 Sb\n0.966667 0.406732 0.875416 O\n0.473903 0.410283 0.371007 O\n0.440337 0.407066 0.875212 O\n0.936082 0.409961 0.371227 O\n0.705908 0.412136 0.140651 O\n0.202760 0.405340 0.638984 O\n0.024963 0.590895 0.128992 O\n0.534087 0.591693 0.624903 O\n0.566319 0.591253 0.128687 O\n0.057408 0.591486 0.625083 O\n0.296414 0.592998 0.862907 O\n0.794519 0.588819 0.357753 O\n0.795624 0.591169 0.871561 O\n0.295340 0.590825 0.371062 O\n0.204719 0.409345 0.129158 O\n0.704289 0.408567 0.628311 O\n0.739596 0.057773 0.067296 O\n0.230741 0.055058 0.571616 O\n0.318429 0.057667 0.067434 O\n0.824292 0.055227 0.571558 O\n0.527597 0.055140 0.273447 O\n0.028619 0.057279 0.779724 O\n0.265439 0.946977 0.929733 O\n0.764963 0.940538 0.430999 O\n0.681574 0.946735 0.929860 O\n0.175368 0.940525 0.430967 O\n0.470279 0.940475 0.727232 O\n0.973844 0.947725 0.219534 O\n0.602680 0.205087 0.398183 O\n0.099443 0.199237 0.899801 O\n0.902763 0.805902 0.096001 O\n0.395454 0.790834 0.605265 O\n0.092145 0.785796 0.838910 O\n0.590965 0.784732 0.341810 O\n0.891979 0.784284 0.640755 O\n0.393224 0.786225 0.141823 O\n0.693538 0.785713 0.839056 O\n0.193803 0.784800 0.341699 O\n0.909247 0.215595 0.157254 O\n0.407473 0.214037 0.661904 O\n0.106628 0.213528 0.357532 O\n0.608158 0.215850 0.859965 O\n0.306273 0.215488 0.157458 O\n0.806645 0.214085 0.661761 O\n",
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{
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{
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{
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"nelements": 3,
"elements": [
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],
"chemical_system": "Mn-O-Si",
"density": 4.580059544277464,
"density_atomic": 0.09123297418055071,
"volume": 876.8759400705213,
"volume_molar": 6.600837925202505,
"formula_full": "Mn28 Si4 O48",
"formula_reduced": "Mn7SiO12",
"formula_anonymous": "AB7C12",
"energy": -694.6892972200001,
"energy_per_atom": -8.683616215250002,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -615.00929722,
"band_gap": 0.2566999999999999,
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"is_magnetic": true,
"total_magnetization": 116.0100924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.248000Z",
"spacegroup": 142
},
{
"id": "mp-1172871",
"created_at": "2022-09-04T14:45:27.950884Z",
"structure_string": "Mn28 Ge4 O48\n1.0\n8.838146 0.000000 -3.977328\n-1.789870 8.655010 -3.977328\n-0.007021 -0.008622 11.792822\nMn Ge O\n28 4 48\ndirect\n0.788075 0.250000 0.500000 Mn\n0.875000 0.625000 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.211925 0.750000 0.500000 Mn\n0.625000 0.875000 0.250000 Mn\n0.356098 0.606098 0.250000 Mn\n0.750000 0.788075 0.000000 Mn\n0.250000 0.711925 0.000000 Mn\n0.125000 0.375000 0.250000 Mn\n0.106098 0.856098 0.750000 Mn\n0.143902 0.356098 0.750000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.711925 0.750000 0.500000 Mn\n0.393902 0.106098 0.250000 Mn\n0.250000 0.211925 0.000000 Mn\n0.606098 0.893902 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n0.643902 0.393902 0.750000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.856098 0.643902 0.250000 Mn\n0.288075 0.250000 0.500000 Mn\n0.893902 0.143902 0.250000 Mn\n0.375000 0.125000 0.750000 Mn\n0.750000 0.288075 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.125000 0.875000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.370965 0.299305 0.384691 O\n0.943704 0.156052 0.644466 O\n0.085386 0.513726 0.884691 O\n0.299238 0.011586 0.355534 O\n0.011586 0.056296 0.855534 O\n0.914614 0.486274 0.115309 O\n0.156052 0.700762 0.144466 O\n0.656052 0.443704 0.144466 O\n0.870965 0.085386 0.384691 O\n0.700695 0.986274 0.115309 O\n0.343948 0.556296 0.855534 O\n0.700762 0.988414 0.644466 O\n0.988414 0.943704 0.144466 O\n0.592184 0.094170 0.887746 O\n0.204437 0.405830 0.112254 O\n0.905830 0.704437 0.612254 O\n0.129035 0.914614 0.615309 O\n0.986274 0.414614 0.615309 O\n0.799305 0.870965 0.884691 O\n0.094170 0.295563 0.387746 O\n0.405830 0.907816 0.612254 O\n0.799238 0.343948 0.355534 O\n0.486274 0.200695 0.615309 O\n0.793576 0.795563 0.387746 O\n0.206424 0.204437 0.612254 O\n0.513726 0.799305 0.384691 O\n0.706424 0.407816 0.612254 O\n0.629035 0.700695 0.615309 O\n0.056296 0.843948 0.355534 O\n0.594170 0.092184 0.387746 O\n0.295563 0.293576 0.887746 O\n0.200762 0.656052 0.644466 O\n0.488414 0.200762 0.144466 O\n0.511586 0.799238 0.855534 O\n0.907816 0.206424 0.112254 O\n0.407816 0.905830 0.112254 O\n0.443704 0.488414 0.644466 O\n0.795563 0.594170 0.887746 O\n0.556296 0.511586 0.355534 O\n0.299305 0.013726 0.884691 O\n0.293576 0.592184 0.387746 O\n0.704437 0.706424 0.112254 O\n0.200695 0.129035 0.115309 O\n0.013726 0.585386 0.384691 O\n0.843948 0.299238 0.855534 O\n0.092184 0.793576 0.887746 O\n0.414614 0.629035 0.115309 O\n0.585386 0.370965 0.884691 O\n",
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"volume": 901.4768289980244,
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"formula_full": "Mn28 Ge4 O48",
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"updated_at": "2021-11-28T01:37:01.501000Z",
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}
]
}