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{
"count": 146323,
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"results": [
{
"id": "mp-1247668",
"created_at": "2022-09-04T14:44:00.585626Z",
"structure_string": "Ca32 Mn28 Al4 O90\n1.0\n10.887831 0.003382 -0.076352\n0.005266 15.149936 0.002955\n-0.075171 0.002416 10.746709\nCa Mn Al O\n32 28 4 90\ndirect\n0.013340 0.116501 0.495613 Ca\n0.018158 0.115802 0.996952 Ca\n0.021522 0.627892 0.497638 Ca\n0.022128 0.626151 0.994589 Ca\n0.534360 0.124432 0.496045 Ca\n0.526184 0.124751 0.995074 Ca\n0.527427 0.632796 0.508220 Ca\n0.525685 0.625578 0.979236 Ca\n0.484288 0.372639 0.994871 Ca\n0.491071 0.371674 0.506406 Ca\n0.478917 0.873757 0.999761 Ca\n0.479047 0.873171 0.509093 Ca\n0.971454 0.380138 0.002115 Ca\n0.964299 0.382481 0.500420 Ca\n0.977839 0.874456 0.005316 Ca\n0.973803 0.873101 0.504357 Ca\n0.234182 0.379653 0.247354 Ca\n0.232028 0.389756 0.765765 Ca\n0.231497 0.876342 0.244916 Ca\n0.228637 0.873911 0.748370 Ca\n0.729731 0.367089 0.240676 Ca\n0.728355 0.375301 0.748121 Ca\n0.730158 0.875173 0.245244 Ca\n0.727028 0.875312 0.743484 Ca\n0.262530 0.124894 0.238388 Ca\n0.267631 0.116752 0.759253 Ca\n0.245811 0.633383 0.245150 Ca\n0.270337 0.628228 0.754340 Ca\n0.773062 0.120144 0.256934 Ca\n0.776525 0.122933 0.755717 Ca\n0.779771 0.626168 0.256508 Ca\n0.774627 0.626745 0.753679 Ca\n0.003816 0.001848 0.249459 Mn\n0.997326 0.997888 0.750268 Mn\n0.000795 0.497694 0.250178 Mn\n0.996443 0.499250 0.750250 Mn\n0.497550 0.000953 0.745687 Mn\n0.510075 0.489454 0.239513 Mn\n0.500377 0.499725 0.748139 Mn\n0.251111 0.001099 0.002553 Mn\n0.249772 0.500833 0.003148 Mn\n0.240304 0.497917 0.507850 Mn\n0.750265 0.998606 0.996984 Mn\n0.748087 0.999754 0.497861 Mn\n0.751850 0.501235 0.997813 Mn\n0.746756 0.501924 0.499813 Mn\n0.250745 0.242363 0.471949 Mn\n0.249770 0.751016 0.999228 Mn\n0.251324 0.750918 0.498339 Mn\n0.756049 0.246459 0.005988 Mn\n0.750859 0.249682 0.502628 Mn\n0.749828 0.750179 0.000255 Mn\n0.750400 0.750606 0.498342 Mn\n0.998024 0.249369 0.760993 Mn\n0.999602 0.752626 0.250387 Mn\n0.999718 0.750478 0.749688 Mn\n0.498870 0.245106 0.249568 Mn\n0.513662 0.245058 0.753771 Mn\n0.498804 0.760121 0.253693 Mn\n0.499604 0.751347 0.750368 Mn\n0.515086 0.000623 0.230283 Al\n0.228844 0.995109 0.513909 Al\n0.271499 0.246596 0.983281 Al\n0.982167 0.249224 0.269964 Al\n0.105614 0.769713 0.104764 O\n0.106033 0.770388 0.603372 O\n0.601509 0.269203 0.107337 O\n0.604672 0.266858 0.603910 O\n0.601309 0.766596 0.104677 O\n0.603984 0.767702 0.603775 O\n0.407674 0.224888 0.400992 O\n0.400242 0.230520 0.885550 O\n0.392989 0.718280 0.388836 O\n0.394285 0.731481 0.895486 O\n0.894850 0.232171 0.407373 O\n0.899994 0.230007 0.910464 O\n0.894824 0.730227 0.394312 O\n0.894700 0.729157 0.896076 O\n0.135098 0.231846 0.341235 O\n0.155859 0.237126 0.846084 O\n0.141975 0.732421 0.357635 O\n0.145706 0.731291 0.852919 O\n0.649824 0.228399 0.350286 O\n0.657456 0.227729 0.861398 O\n0.642685 0.728342 0.353024 O\n0.644650 0.729013 0.854053 O\n0.347760 0.266108 0.144251 O\n0.353455 0.762017 0.147659 O\n0.355964 0.770978 0.644128 O\n0.868064 0.271074 0.147906 O\n0.861830 0.275675 0.644660 O\n0.854019 0.770507 0.147423 O\n0.854871 0.771841 0.644934 O\n0.355573 0.498429 0.163176 O\n0.360356 0.478434 0.637980 O\n0.356627 0.985127 0.147391 O\n0.356075 0.982578 0.631709 O\n0.852232 0.479835 0.150370 O\n0.850553 0.478509 0.646288 O\n0.857604 0.978288 0.144595 O\n0.852631 0.979208 0.645937 O\n0.153619 0.021218 0.359987 O\n0.142732 0.017664 0.855323 O\n0.155562 0.514691 0.353065 O\n0.148834 0.518773 0.853780 O\n0.637016 0.024088 0.357479 O\n0.643111 0.023467 0.851376 O\n0.625014 0.530788 0.355836 O\n0.647109 0.520275 0.850195 O\n0.392547 0.021732 0.894326 O\n0.394562 0.512916 0.898124 O\n0.893720 0.018987 0.391377 O\n0.892875 0.020405 0.893252 O\n0.896754 0.518122 0.396159 O\n0.897424 0.518512 0.899666 O\n0.105305 0.478741 0.105782 O\n0.096780 0.476616 0.610339 O\n0.106707 0.981404 0.105291 O\n0.097834 0.978754 0.608584 O\n0.604334 0.484977 0.094722 O\n0.602099 0.483271 0.601215 O\n0.610102 0.978481 0.098305 O\n0.602975 0.980650 0.601763 O\n0.017042 0.371756 0.281691 O\n0.015966 0.374322 0.787824 O\n0.012729 0.876526 0.290120 O\n0.010333 0.874680 0.791803 O\n0.500435 0.371857 0.294879 O\n0.501444 0.372101 0.778135 O\n0.497365 0.890686 0.294821 O\n0.508899 0.876245 0.786779 O\n0.482969 0.120102 0.218641 O\n0.482528 0.126335 0.703694 O\n0.486894 0.625208 0.717693 O\n0.993221 0.128614 0.212512 O\n0.994774 0.126750 0.710150 O\n0.998843 0.624755 0.212793 O\n0.989988 0.624891 0.710967 O\n0.233119 0.131638 0.030460 O\n0.236847 0.126920 0.538351 O\n0.238456 0.625009 0.033735 O\n0.244455 0.623667 0.536684 O\n0.741305 0.122897 0.044615 O\n0.744979 0.125578 0.542052 O\n0.738764 0.625835 0.041094 O\n0.743738 0.625840 0.538217 O\n0.265909 0.366581 0.480867 O\n0.253183 0.371060 0.981172 O\n0.263249 0.878309 0.460635 O\n0.262745 0.875923 0.963948 O\n0.749579 0.376801 0.457394 O\n0.757099 0.375675 0.963521 O\n0.756450 0.874946 0.459069 O\n0.760536 0.874588 0.957903 O\n",
"nsites": 154,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O",
"density": 4.092497397605531,
"density_atomic": 0.08687892370647163,
"volume": 1772.5818119053022,
"volume_molar": 6.931647519421801,
"formula_full": "Ca32 Mn28 Al4 O90",
"formula_reduced": "Ca16Mn14Al2O45",
"formula_anonymous": "A2B14C16D45",
"energy": -1180.3217893800002,
"energy_per_atom": -7.664427203766235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1071.78778938,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 92.0000024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.722000Z",
"spacegroup": 1
},
{
"id": "mp-683990",
"created_at": "2022-09-04T14:42:42.622302Z",
"structure_string": "Na24 Mg8 B40 O80\n1.0\n7.904727 0.000000 0.000000\n0.000000 12.387769 0.000000\n0.000000 0.000000 18.325738\nNa Mg B O\n24 8 40 80\ndirect\n0.169808 0.915370 0.420115 Na\n0.690499 0.647771 0.253250 Na\n0.169808 0.584630 0.920115 Na\n0.830192 0.415370 0.079885 Na\n0.330192 0.415370 0.420115 Na\n0.830192 0.084630 0.579885 Na\n0.708608 0.572515 0.932211 Na\n0.791392 0.072515 0.932211 Na\n0.791392 0.427485 0.432211 Na\n0.809501 0.352229 0.753250 Na\n0.309501 0.147771 0.246750 Na\n0.190499 0.852229 0.746750 Na\n0.291392 0.427485 0.067789 Na\n0.809501 0.147771 0.253250 Na\n0.208608 0.927485 0.067789 Na\n0.669808 0.584630 0.579885 Na\n0.690499 0.852229 0.753250 Na\n0.291392 0.072515 0.567789 Na\n0.669808 0.915370 0.079885 Na\n0.330192 0.084630 0.920115 Na\n0.309501 0.352229 0.746750 Na\n0.190499 0.647771 0.246750 Na\n0.708608 0.927485 0.432211 Na\n0.208608 0.572515 0.567789 Na\n0.915942 0.821798 0.902222 Mg\n0.415942 0.821798 0.597778 Mg\n0.084058 0.178202 0.097778 Mg\n0.415942 0.678202 0.097778 Mg\n0.915942 0.678202 0.402222 Mg\n0.584058 0.321798 0.902222 Mg\n0.584058 0.178202 0.402222 Mg\n0.084058 0.321798 0.597778 Mg\n0.231763 0.172988 0.427498 B\n0.078526 0.653429 0.073410 B\n0.488278 0.475616 0.195969 B\n0.554417 0.349694 0.296029 B\n0.554417 0.150306 0.796029 B\n0.054417 0.150306 0.703971 B\n0.011722 0.975616 0.195969 B\n0.945583 0.849694 0.296029 B\n0.559407 0.282526 0.163931 B\n0.731763 0.327012 0.572502 B\n0.559407 0.217474 0.663931 B\n0.421474 0.346571 0.573410 B\n0.988278 0.024384 0.804031 B\n0.268237 0.672988 0.427498 B\n0.445583 0.650306 0.703971 B\n0.078526 0.846571 0.573410 B\n0.731763 0.172988 0.072502 B\n0.511722 0.975616 0.304031 B\n0.921474 0.346571 0.926590 B\n0.511722 0.524384 0.804031 B\n0.578526 0.846571 0.926590 B\n0.440593 0.717474 0.836069 B\n0.054417 0.349694 0.203971 B\n0.231763 0.327012 0.927498 B\n0.940593 0.717474 0.663931 B\n0.988278 0.475616 0.304031 B\n0.768237 0.672988 0.072502 B\n0.421474 0.153429 0.073410 B\n0.945583 0.650306 0.796029 B\n0.921474 0.153429 0.426590 B\n0.578526 0.653429 0.426590 B\n0.940593 0.782526 0.163931 B\n0.268237 0.827012 0.927498 B\n0.440593 0.782526 0.336069 B\n0.488278 0.024384 0.695969 B\n0.445583 0.849694 0.203971 B\n0.011722 0.524384 0.695969 B\n0.768237 0.827012 0.572502 B\n0.059407 0.282526 0.336069 B\n0.059407 0.217474 0.836069 B\n0.537444 0.398216 0.144684 O\n0.719921 0.257312 0.631934 O\n0.620827 0.851502 0.540795 O\n0.379173 0.351502 0.959205 O\n0.068283 0.231456 0.756176 O\n0.585900 0.719307 0.365129 O\n0.721640 0.616342 0.457842 O\n0.081619 0.376435 0.954391 O\n0.081619 0.123565 0.454391 O\n0.914100 0.219307 0.365129 O\n0.120827 0.648498 0.459205 O\n0.278360 0.383658 0.542158 O\n0.918381 0.623565 0.045609 O\n0.280079 0.742688 0.368066 O\n0.431717 0.731456 0.756176 O\n0.576566 0.331564 0.367878 O\n0.510136 0.454037 0.271377 O\n0.219921 0.242688 0.368066 O\n0.574466 0.428636 0.823557 O\n0.568283 0.231456 0.743824 O\n0.778360 0.116342 0.457842 O\n0.489864 0.954037 0.228623 O\n0.414100 0.219307 0.134871 O\n0.425534 0.928636 0.676443 O\n0.620827 0.648498 0.040795 O\n0.221640 0.616342 0.042158 O\n0.931717 0.731456 0.743824 O\n0.879173 0.351502 0.540795 O\n0.925534 0.928636 0.823557 O\n0.431717 0.768544 0.256176 O\n0.120827 0.851502 0.959205 O\n0.576566 0.168436 0.867878 O\n0.037444 0.101784 0.855316 O\n0.989864 0.545963 0.771377 O\n0.010136 0.045963 0.728623 O\n0.278360 0.116342 0.042158 O\n0.221640 0.883658 0.542158 O\n0.931717 0.768544 0.243824 O\n0.085900 0.780693 0.634871 O\n0.962556 0.898216 0.144684 O\n0.085900 0.719307 0.134871 O\n0.010136 0.454037 0.228623 O\n0.510136 0.045963 0.771377 O\n0.074466 0.071364 0.176443 O\n0.068283 0.268544 0.256176 O\n0.462556 0.601784 0.855316 O\n0.923434 0.668436 0.867878 O\n0.585900 0.780693 0.865129 O\n0.074466 0.428636 0.676443 O\n0.423434 0.831564 0.132122 O\n0.537444 0.101784 0.644684 O\n0.076566 0.168436 0.632122 O\n0.425534 0.571364 0.176443 O\n0.923434 0.831564 0.367878 O\n0.721640 0.883658 0.957842 O\n0.219921 0.257312 0.868066 O\n0.568283 0.268544 0.243824 O\n0.581619 0.123565 0.045609 O\n0.379173 0.148498 0.459205 O\n0.037444 0.398216 0.355316 O\n0.780079 0.742688 0.131934 O\n0.574466 0.071364 0.323557 O\n0.780079 0.757312 0.631934 O\n0.076566 0.331564 0.132122 O\n0.581619 0.376435 0.545609 O\n0.879173 0.148498 0.040795 O\n0.418381 0.876435 0.954391 O\n0.423434 0.668436 0.632122 O\n0.778360 0.383658 0.957842 O\n0.462556 0.898216 0.355316 O\n0.719921 0.242688 0.131934 O\n0.414100 0.280693 0.634871 O\n0.489864 0.545963 0.728623 O\n0.925534 0.571364 0.323557 O\n0.918381 0.876435 0.545609 O\n0.914100 0.280693 0.865129 O\n0.962556 0.601784 0.644684 O\n0.989864 0.954037 0.271377 O\n0.418381 0.623565 0.454391 O\n0.280079 0.757312 0.868066 O\n",
"nsites": 152,
"nelements": 4,
"elements": [
"Na",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-Na-O",
"density": 2.2750614751003244,
"density_atomic": 0.08470365306588631,
"volume": 1794.4916718263328,
"volume_molar": 7.109658842359147,
"formula_full": "Na24 Mg8 B40 O80",
"formula_reduced": "Na3Mg(BO2)5",
"formula_anonymous": "AB3C5D10",
"energy": -1126.42291014,
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"energy_uncorrected": -1071.46291014,
"band_gap": 4.4625,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:35:57.104000Z",
"spacegroup": 61
},
{
"id": "mp-1247600",
"created_at": "2022-09-04T14:39:14.217074Z",
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"elements": [
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"density": 3.692404847870864,
"density_atomic": 0.07234904401172564,
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"formula_full": "Sr4 Ca28 Ti12 Mn20 O80",
"formula_reduced": "SrCa7Ti3Mn5O20",
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"updated_at": "2021-11-28T01:34:24.425000Z",
"spacegroup": 1
},
{
"id": "mp-680756",
"created_at": "2022-09-04T14:39:58.663978Z",
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{
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"elements": [
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{
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"structure_string": "Ba12 Na4 Mn16 Si24 O92\n1.0\n0.000000 0.000000 -7.115766\n0.000000 -12.694901 -0.000000\n-23.197250 0.000000 0.000000\nBa Na Mn Si O\n12 4 16 24 92\ndirect\n0.987413 0.489314 0.798385 Ba\n0.012587 0.510686 0.201615 Ba\n0.487413 0.510686 0.701615 Ba\n0.012587 0.989314 0.201615 Ba\n0.512587 0.489314 0.298385 Ba\n0.987413 0.010686 0.798385 Ba\n0.512587 0.010686 0.298385 Ba\n0.487413 0.989314 0.701615 Ba\n0.978691 0.750000 0.501827 Ba\n0.021309 0.250000 0.498173 Ba\n0.478691 0.250000 0.998173 Ba\n0.521309 0.750000 0.001827 Ba\n0.107067 0.750000 0.908869 Na\n0.892933 0.250000 0.091131 Na\n0.607067 0.250000 0.591131 Na\n0.392933 0.750000 0.408869 Na\n0.991334 0.886347 0.659207 Mn\n0.008666 0.113653 0.340793 Mn\n0.491334 0.113653 0.840793 Mn\n0.008666 0.386347 0.340793 Mn\n0.508666 0.886347 0.159207 Mn\n0.991334 0.613653 0.659207 Mn\n0.508666 0.613653 0.159207 Mn\n0.491334 0.386347 0.840793 Mn\n0.506436 0.871206 0.848979 Mn\n0.493564 0.128794 0.151021 Mn\n0.006436 0.128794 0.651021 Mn\n0.493564 0.371206 0.151021 Mn\n0.993564 0.871206 0.348979 Mn\n0.506436 0.628794 0.848979 Mn\n0.993564 0.628794 0.348979 Mn\n0.006436 0.371206 0.651021 Mn\n0.777854 0.750000 0.761753 Si\n0.222146 0.250000 0.238247 Si\n0.277854 0.250000 0.738247 Si\n0.722146 0.750000 0.261753 Si\n0.801291 0.473059 0.935813 Si\n0.198709 0.526941 0.064186 Si\n0.301291 0.526941 0.564187 Si\n0.198709 0.973059 0.064186 Si\n0.698709 0.473059 0.435814 Si\n0.801291 0.026941 0.935813 Si\n0.698709 0.026941 0.435814 Si\n0.301291 0.973059 0.564187 Si\n0.748620 0.993294 0.562600 Si\n0.251380 0.006706 0.437400 Si\n0.248620 0.006706 0.937400 Si\n0.251380 0.493294 0.437400 Si\n0.751380 0.993294 0.062600 Si\n0.748620 0.506706 0.562600 Si\n0.751380 0.506706 0.062600 Si\n0.248620 0.493294 0.937400 Si\n0.176496 0.750000 0.760751 Si\n0.823504 0.250000 0.239249 Si\n0.676496 0.250000 0.739249 Si\n0.323504 0.750000 0.260751 Si\n0.668405 0.859455 0.776276 O\n0.331595 0.140545 0.223724 O\n0.168405 0.140545 0.723724 O\n0.331595 0.359455 0.223724 O\n0.831595 0.859455 0.276276 O\n0.668405 0.640545 0.776276 O\n0.831595 0.640545 0.276276 O\n0.168405 0.359455 0.723724 O\n0.476988 0.993605 0.419912 O\n0.523012 0.006395 0.580088 O\n0.976988 0.006395 0.080088 O\n0.523012 0.493605 0.580088 O\n0.023012 0.993605 0.919912 O\n0.476988 0.506395 0.419912 O\n0.023012 0.506395 0.919912 O\n0.976988 0.493605 0.080088 O\n0.337141 0.750000 0.811490 O\n0.662859 0.250000 0.188510 O\n0.837141 0.250000 0.688510 O\n0.162859 0.750000 0.311490 O\n0.677692 0.358121 0.778958 O\n0.322308 0.641879 0.221042 O\n0.177692 0.641879 0.721042 O\n0.322308 0.858121 0.221042 O\n0.822308 0.358121 0.278958 O\n0.677692 0.141879 0.778958 O\n0.822308 0.141879 0.278958 O\n0.177692 0.858121 0.721042 O\n0.876378 0.487645 0.688871 O\n0.123621 0.512355 0.311129 O\n0.376379 0.512355 0.811129 O\n0.123621 0.987645 0.311129 O\n0.623622 0.487645 0.188871 O\n0.876378 0.012355 0.688871 O\n0.623622 0.012355 0.188871 O\n0.376379 0.987645 0.811129 O\n0.344472 0.893692 0.920190 O\n0.655528 0.106308 0.079810 O\n0.844472 0.106308 0.579810 O\n0.655528 0.393692 0.079810 O\n0.155528 0.893692 0.420190 O\n0.344472 0.606308 0.920190 O\n0.155528 0.606308 0.420190 O\n0.844472 0.393692 0.579810 O\n0.021209 0.750000 0.007985 O\n0.978791 0.250000 0.992015 O\n0.521209 0.250000 0.492015 O\n0.478791 0.750000 0.507985 O\n0.738767 0.958424 0.993697 O\n0.261233 0.041576 0.006303 O\n0.238767 0.041576 0.506303 O\n0.261233 0.458424 0.006303 O\n0.761233 0.958424 0.493697 O\n0.738767 0.541576 0.993697 O\n0.761233 0.541576 0.493697 O\n0.238767 0.458424 0.506303 O\n0.685956 0.991020 0.877295 O\n0.314044 0.008980 0.122705 O\n0.185956 0.008980 0.622705 O\n0.314044 0.491020 0.122705 O\n0.814044 0.991020 0.377295 O\n0.685956 0.508980 0.877295 O\n0.814044 0.508980 0.377295 O\n0.185956 0.491020 0.622705 O\n0.620941 0.750000 0.883283 O\n0.379059 0.250000 0.116717 O\n0.120941 0.250000 0.616717 O\n0.879059 0.750000 0.383283 O\n0.978973 0.750000 0.800523 O\n0.021027 0.250000 0.199477 O\n0.478973 0.250000 0.699477 O\n0.521027 0.750000 0.300523 O\n0.839804 0.888742 0.593387 O\n0.160196 0.111258 0.406613 O\n0.339804 0.111258 0.906613 O\n0.160196 0.388742 0.406613 O\n0.660196 0.888742 0.093387 O\n0.839804 0.611258 0.593387 O\n0.660196 0.611258 0.093387 O\n0.339804 0.388742 0.906613 O\n0.848528 0.750000 0.693110 O\n0.151472 0.250000 0.306890 O\n0.348528 0.250000 0.806890 O\n0.651472 0.750000 0.193110 O\n0.761212 0.350792 0.944790 O\n0.238788 0.649208 0.055210 O\n0.261212 0.649208 0.555210 O\n0.238788 0.850792 0.055210 O\n0.738788 0.350792 0.444790 O\n0.761212 0.149208 0.944790 O\n0.738788 0.149208 0.444790 O\n0.261212 0.850792 0.555210 O\n",
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"elements": [
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],
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"volume_molar": 8.52661524594371,
"formula_full": "Ba12 Na4 Mn16 Si24 O92",
"formula_reduced": "Ba3NaMn4Si6O23",
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"updated_at": "2021-11-28T01:34:24.466000Z",
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},
{
"id": "mp-1247722",
"created_at": "2022-09-04T14:40:40.158066Z",
"structure_string": "Sr4 Ca28 Mn28 Al4 O90\n1.0\n10.869341 -0.001869 -0.101859\n-0.001934 15.187126 0.008099\n-0.099701 0.006147 10.811688\nSr Ca Mn Al O\n4 28 28 4 90\ndirect\n0.002314 0.119452 0.500681 Sr\n0.498677 0.371655 0.990960 Sr\n0.244603 0.376718 0.247991 Sr\n0.257081 0.122980 0.237573 Sr\n0.007120 0.110886 0.004674 Ca\n0.017148 0.629242 0.499085 Ca\n0.019261 0.626847 0.996091 Ca\n0.535000 0.125233 0.495643 Ca\n0.530439 0.123733 0.995170 Ca\n0.524355 0.634107 0.510732 Ca\n0.523878 0.624785 0.979631 Ca\n0.496400 0.371408 0.509050 Ca\n0.480887 0.873272 0.998905 Ca\n0.478985 0.873490 0.508906 Ca\n0.973663 0.383011 0.004597 Ca\n0.961485 0.384381 0.499038 Ca\n0.978721 0.873660 0.006345 Ca\n0.973868 0.872587 0.503031 Ca\n0.234171 0.391119 0.763368 Ca\n0.233157 0.875779 0.245406 Ca\n0.227759 0.872027 0.748180 Ca\n0.738261 0.364627 0.244789 Ca\n0.733473 0.374430 0.749198 Ca\n0.733238 0.874344 0.245347 Ca\n0.728801 0.876065 0.741814 Ca\n0.264435 0.114448 0.758319 Ca\n0.240414 0.634030 0.242277 Ca\n0.268836 0.628476 0.755391 Ca\n0.767295 0.120476 0.255052 Ca\n0.778103 0.122157 0.756020 Ca\n0.777268 0.626761 0.254901 Ca\n0.772099 0.625410 0.755077 Ca\n0.002040 -0.000475 0.250902 Mn\n0.997632 0.995473 0.752778 Mn\n0.000726 0.499010 0.251838 Mn\n0.995398 0.499498 0.751582 Mn\n0.496185 0.000516 0.745205 Mn\n0.512055 0.490600 0.241967 Mn\n0.499108 0.500722 0.746494 Mn\n0.250717 0.000127 -0.000769 Mn\n0.249242 0.501934 0.002412 Mn\n0.237451 0.499242 0.511740 Mn\n0.750579 0.996560 0.995394 Mn\n0.745681 0.998371 0.496584 Mn\n0.753360 0.502483 0.999548 Mn\n0.744240 0.504069 0.500555 Mn\n0.252266 0.240394 0.478433 Mn\n0.249557 0.751367 0.998710 Mn\n0.249874 0.750557 0.498772 Mn\n0.762841 0.246286 0.005630 Mn\n0.749451 0.250544 0.503173 Mn\n0.749054 0.750193 0.998968 Mn\n0.748382 0.750778 0.498536 Mn\n0.004292 0.251211 0.762820 Mn\n0.998404 0.752498 0.250375 Mn\n0.998256 0.750080 0.749526 Mn\n0.501649 0.242828 0.247883 Mn\n0.515328 0.242618 0.751689 Mn\n0.497149 0.760063 0.254032 Mn\n0.499271 0.752025 0.751079 Mn\n0.515656 0.998984 0.228702 Al\n0.227378 0.992969 0.516023 Al\n0.275178 0.247013 0.975182 Al\n0.983255 0.250888 0.270220 Al\n0.106472 0.769900 0.106073 O\n0.104772 0.771195 0.604561 O\n0.616365 0.264870 0.116601 O\n0.606218 0.262738 0.603808 O\n0.601581 0.766099 0.105608 O\n0.603119 0.768223 0.604378 O\n0.403856 0.223019 0.393662 O\n0.408851 0.228165 0.886661 O\n0.389893 0.717559 0.388437 O\n0.394310 0.732354 0.895814 O\n0.886082 0.240433 0.398987 O\n0.908650 0.232186 0.911414 O\n0.891608 0.730761 0.392833 O\n0.893438 0.728782 0.894524 O\n0.131895 0.236861 0.348787 O\n0.174059 0.247029 0.816985 O\n0.139740 0.732049 0.359214 O\n0.145013 0.732674 0.852448 O\n0.647345 0.227474 0.355473 O\n0.661252 0.229578 0.861527 O\n0.640305 0.728322 0.353937 O\n0.643824 0.728113 0.854735 O\n0.359873 0.260336 0.134718 O\n0.352454 0.761276 0.147417 O\n0.356039 0.770287 0.644076 O\n0.876929 0.272340 0.142698 O\n0.868051 0.274464 0.640140 O\n0.854210 0.770712 0.145367 O\n0.854909 0.772846 0.642993 O\n0.361172 0.508054 0.161066 O\n0.357413 0.485228 0.639688 O\n0.359444 0.984939 0.142450 O\n0.355739 0.979076 0.633550 O\n0.852714 0.480698 0.150564 O\n0.848782 0.479502 0.646714 O\n0.860862 0.975606 0.139357 O\n0.854678 0.980427 0.643414 O\n0.146446 0.014502 0.364966 O\n0.143038 0.012718 0.855413 O\n0.154730 0.515609 0.356882 O\n0.147279 0.518773 0.853365 O\n0.633418 0.023594 0.359537 O\n0.641908 0.024734 0.852706 O\n0.623708 0.532905 0.359587 O\n0.645095 0.516670 0.851492 O\n0.392633 0.022589 0.892923 O\n0.392595 0.512566 0.895197 O\n0.884952 0.014489 0.384183 O\n0.890839 0.017116 0.890898 O\n0.893496 0.519232 0.396282 O\n0.896761 0.519276 0.899619 O\n0.104859 0.483530 0.107212 O\n0.094158 0.475694 0.612262 O\n0.109248 0.982617 0.107866 O\n0.098865 0.975532 0.613556 O\n0.609866 0.491875 0.100977 O\n0.599022 0.487969 0.599773 O\n0.613633 0.976689 0.099976 O\n0.602942 0.981264 0.602479 O\n0.011963 0.374782 0.283099 O\n0.010536 0.376037 0.792727 O\n0.011321 0.875111 0.289314 O\n0.006752 0.873159 0.793401 O\n0.494055 0.372923 0.293550 O\n0.497316 0.370763 0.761442 O\n0.493951 0.889967 0.294537 O\n0.511022 0.876374 0.787522 O\n0.493015 0.118754 0.215270 O\n0.480263 0.124970 0.701119 O\n0.487241 0.626464 0.719939 O\n0.992742 0.128006 0.219176 O\n0.999156 0.126322 0.724821 O\n0.998143 0.625785 0.213944 O\n0.988213 0.625088 0.711545 O\n0.220623 0.136954 0.015585 O\n0.241422 0.122229 0.535776 O\n0.235802 0.626146 0.030178 O\n0.238324 0.624916 0.539659 O\n0.750637 0.121491 0.041704 O\n0.751794 0.125395 0.539926 O\n0.740673 0.626687 0.039000 O\n0.743083 0.627290 0.540248 O\n0.268990 0.362959 0.499508 O\n0.248130 0.369041 0.985464 O\n0.262945 0.877348 0.461230 O\n0.264275 0.875883 0.963213 O\n0.741781 0.378775 0.461047 O\n0.754821 0.376198 0.965975 O\n0.753296 0.874176 0.459152 O\n0.758673 0.873627 0.955761 O\n",
"nsites": 154,
"nelements": 5,
"elements": [
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"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O-Sr",
"density": 4.241945946327293,
"density_atomic": 0.08629508863969271,
"volume": 1784.5743300988443,
"volume_molar": 6.97854403411555,
"formula_full": "Sr4 Ca28 Mn28 Al4 O90",
"formula_reduced": "Sr2Ca14Mn14Al2O45",
"formula_anonymous": "A2B2C14D14E45",
"energy": -1178.05434703,
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"band_gap": 0.0,
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"total_magnetization": 92.0000011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.063000Z",
"spacegroup": 1
},
{
"id": "mp-561301",
"created_at": "2022-09-04T14:41:34.393803Z",
"structure_string": "Si48 O96\n1.0\n12.646489 0.000000 0.000000\n0.000000 12.646489 0.000000\n0.000000 0.000000 12.646489\nSi O\n48 96\ndirect\n0.689252 0.514362 0.154444 Si\n0.689252 0.845556 0.485638 Si\n0.154444 0.485638 0.310748 Si\n0.689252 0.154444 0.514362 Si\n0.514362 0.689252 0.154444 Si\n0.485638 0.154444 0.310748 Si\n0.154444 0.514362 0.689252 Si\n0.810748 0.985638 0.345556 Si\n0.845556 0.514362 0.310748 Si\n0.189252 0.345556 0.014362 Si\n0.985638 0.810748 0.345556 Si\n0.845556 0.485638 0.689252 Si\n0.154444 0.689252 0.514362 Si\n0.485638 0.310748 0.154444 Si\n0.014362 0.654444 0.810748 Si\n0.345556 0.014362 0.189252 Si\n0.485638 0.845556 0.689252 Si\n0.310748 0.485638 0.154444 Si\n0.514362 0.310748 0.845556 Si\n0.014362 0.345556 0.189252 Si\n0.810748 0.345556 0.985638 Si\n0.189252 0.014362 0.345556 Si\n0.514362 0.154444 0.689252 Si\n0.189252 0.985638 0.654444 Si\n0.845556 0.689252 0.485638 Si\n0.310748 0.514362 0.845556 Si\n0.654444 0.189252 0.985638 Si\n0.985638 0.345556 0.810748 Si\n0.810748 0.654444 0.014362 Si\n0.310748 0.845556 0.514362 Si\n0.345556 0.189252 0.014362 Si\n0.154444 0.310748 0.485638 Si\n0.654444 0.014362 0.810748 Si\n0.014362 0.810748 0.654444 Si\n0.345556 0.810748 0.985638 Si\n0.985638 0.189252 0.654444 Si\n0.310748 0.154444 0.485638 Si\n0.654444 0.985638 0.189252 Si\n0.514362 0.845556 0.310748 Si\n0.014362 0.189252 0.345556 Si\n0.485638 0.689252 0.845556 Si\n0.845556 0.310748 0.514362 Si\n0.345556 0.985638 0.810748 Si\n0.189252 0.654444 0.985638 Si\n0.985638 0.654444 0.189252 Si\n0.689252 0.485638 0.845556 Si\n0.810748 0.014362 0.654444 Si\n0.654444 0.810748 0.014362 Si\n0.582622 0.082622 0.250000 O\n0.565568 0.849326 0.434432 O\n0.778259 0.221741 0.012652 O\n0.883026 0.383026 0.750000 O\n0.849326 0.565568 0.434432 O\n0.487348 0.278259 0.721741 O\n0.565568 0.434432 0.849326 O\n0.116974 0.250000 0.383026 O\n0.278259 0.278259 0.512652 O\n0.750000 0.116974 0.616974 O\n0.278259 0.487348 0.721741 O\n0.116974 0.616974 0.750000 O\n0.012652 0.778259 0.221741 O\n0.778259 0.987348 0.778259 O\n0.349327 0.065568 0.065568 O\n0.221741 0.221741 0.987348 O\n0.650674 0.065568 0.934432 O\n0.487348 0.721741 0.278259 O\n0.250000 0.616974 0.883026 O\n0.150674 0.565568 0.565568 O\n0.582622 0.750000 0.917378 O\n0.934432 0.349327 0.934432 O\n0.150674 0.434432 0.434432 O\n0.065568 0.650674 0.934432 O\n0.750000 0.582622 0.917378 O\n0.565568 0.565568 0.150674 O\n0.250000 0.116974 0.383026 O\n0.934432 0.065568 0.650674 O\n0.434432 0.150674 0.434432 O\n0.250000 0.417378 0.917378 O\n0.116974 0.750000 0.616974 O\n0.082622 0.250000 0.582622 O\n0.917378 0.250000 0.417378 O\n0.383026 0.116974 0.250000 O\n0.250000 0.582622 0.082622 O\n0.987348 0.221741 0.221741 O\n0.278259 0.512652 0.278259 O\n0.065568 0.349327 0.065568 O\n0.917378 0.750000 0.582622 O\n0.221741 0.987348 0.221741 O\n0.934432 0.650674 0.065568 O\n0.221741 0.778259 0.012652 O\n0.383026 0.250000 0.116974 O\n0.012652 0.221741 0.778259 O\n0.417378 0.917378 0.250000 O\n0.582622 0.917378 0.750000 O\n0.250000 0.383026 0.116974 O\n0.082622 0.750000 0.417378 O\n0.565568 0.150674 0.565568 O\n0.987348 0.778259 0.778259 O\n0.417378 0.082622 0.750000 O\n0.512652 0.278259 0.278259 O\n0.883026 0.616974 0.250000 O\n0.434432 0.565568 0.849326 O\n0.417378 0.250000 0.917378 O\n0.750000 0.417378 0.082622 O\n0.721741 0.278259 0.487348 O\n0.082622 0.417378 0.750000 O\n0.650674 0.934432 0.065568 O\n0.883026 0.750000 0.383026 O\n0.250000 0.917378 0.417378 O\n0.778259 0.012652 0.221741 O\n0.778259 0.778259 0.987348 O\n0.434432 0.849326 0.565568 O\n0.849326 0.434432 0.565568 O\n0.250000 0.082622 0.582622 O\n0.434432 0.434432 0.150674 O\n0.250000 0.883026 0.616974 O\n0.750000 0.883026 0.383026 O\n0.616974 0.250000 0.883026 O\n0.750000 0.082622 0.417378 O\n0.349327 0.934432 0.934432 O\n0.383026 0.883026 0.750000 O\n0.917378 0.417378 0.250000 O\n0.616974 0.883026 0.250000 O\n0.512652 0.721741 0.721741 O\n0.750000 0.917378 0.582622 O\n0.116974 0.383026 0.250000 O\n0.883026 0.250000 0.616974 O\n0.065568 0.934432 0.650674 O\n0.616974 0.750000 0.116974 O\n0.917378 0.582622 0.750000 O\n0.383026 0.750000 0.883026 O\n0.721741 0.721741 0.512652 O\n0.616974 0.116974 0.750000 O\n0.221741 0.012652 0.778259 O\n0.582622 0.250000 0.082622 O\n0.278259 0.721741 0.487348 O\n0.721741 0.512652 0.721741 O\n0.721741 0.487348 0.278259 O\n0.934432 0.934432 0.349327 O\n0.750000 0.383026 0.883026 O\n0.750000 0.616974 0.116974 O\n0.065568 0.065568 0.349327 O\n0.082622 0.582622 0.250000 O\n0.417378 0.750000 0.082622 O\n",
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"elements": [
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],
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"formula_full": "Si48 O96",
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},
{
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"created_at": "2022-09-04T14:46:05.610718Z",
"structure_string": "Sr20 Ca12 Ti12 Mn20 O80\n1.0\n-0.008374 -0.025774 11.109796\n11.300359 0.006719 -0.008596\n-5.637269 15.767591 -5.585675\nSr Ca Ti Mn O\n20 12 12 20 80\ndirect\n0.306358 0.062371 0.610370 Sr\n0.303132 0.558098 0.610789 Sr\n0.809457 0.062711 0.610110 Sr\n0.813835 0.561830 0.612349 Sr\n0.191732 0.433722 0.384640 Sr\n0.195695 0.439238 0.891969 Sr\n0.697401 0.437433 0.384967 Sr\n0.697601 0.934507 0.384130 Sr\n0.695559 0.937706 0.888925 Sr\n0.061426 0.300178 0.611223 Sr\n0.059910 0.802229 0.613122 Sr\n0.558545 0.300291 0.612180 Sr\n0.560926 0.801978 0.612483 Sr\n0.442641 0.199769 0.384553 Sr\n0.443051 0.202110 0.889599 Sr\n0.446565 0.697536 0.384074 Sr\n0.445383 0.700148 0.889534 Sr\n0.947658 0.198074 0.385196 Sr\n0.949901 0.205022 0.892063 Sr\n0.944441 0.698116 0.383364 Sr\n0.300261 0.069187 0.109692 Ca\n0.299173 0.561732 0.111458 Ca\n0.801994 0.067439 0.107518 Ca\n0.805410 0.566952 0.109368 Ca\n0.184473 0.935776 0.387126 Ca\n0.196598 0.935821 0.893914 Ca\n0.697644 0.439966 0.892774 Ca\n0.056890 0.292075 0.110233 Ca\n0.049852 0.797306 0.113062 Ca\n0.548066 0.289575 0.108395 Ca\n0.556007 0.795661 0.110171 Ca\n0.946899 0.705427 0.895083 Ca\n0.004147 0.000102 0.000265 Ti\n0.004650 0.501104 0.004595 Ti\n0.502629 0.999839 0.003832 Ti\n0.499672 0.999235 0.496389 Ti\n0.506465 0.506250 0.007105 Ti\n0.503125 0.499672 0.499745 Ti\n0.254237 0.753645 0.009490 Ti\n0.252027 0.749838 0.498141 Ti\n0.750705 0.254015 0.001128 Ti\n0.753941 0.249154 0.497123 Ti\n0.756189 0.749909 0.001803 Ti\n0.755635 0.749656 0.499152 Ti\n0.002768 0.997186 0.496424 Mn\n0.001485 0.499578 0.497094 Mn\n0.256583 0.249829 0.003395 Mn\n0.250807 0.247477 0.497761 Mn\n0.104684 0.090265 0.244433 Mn\n0.112266 0.094491 0.756059 Mn\n0.109945 0.592983 0.245609 Mn\n0.111336 0.603968 0.758356 Mn\n0.604543 0.091419 0.244754 Mn\n0.612771 0.101946 0.751199 Mn\n0.608771 0.589432 0.244334 Mn\n0.617766 0.594785 0.752837 Mn\n0.356843 0.401136 0.246306 Mn\n0.369175 0.405350 0.754069 Mn\n0.354961 0.904271 0.247498 Mn\n0.363320 0.904860 0.752824 Mn\n0.853495 0.399042 0.240455 Mn\n0.860218 0.408447 0.754540 Mn\n0.857374 0.902313 0.242233 Mn\n0.867010 0.903316 0.752424 Mn\n0.122121 0.114906 0.492216 O\n0.123725 0.110672 0.990729 O\n0.125329 0.622676 0.491377 O\n0.126112 0.626259 0.989129 O\n0.625138 0.123666 0.490902 O\n0.628493 0.126463 0.991626 O\n0.627022 0.623432 0.491838 O\n0.631341 0.619866 0.988720 O\n0.135452 0.387163 0.018103 O\n0.123763 0.380297 0.502543 O\n0.142373 0.879948 0.018786 O\n0.134512 0.875686 0.505838 O\n0.641502 0.382527 0.016255 O\n0.632772 0.377100 0.505339 O\n0.641620 0.878551 0.016764 O\n0.634827 0.875127 0.506048 O\n0.374005 0.109977 0.487457 O\n0.377146 0.110623 0.990624 O\n0.375648 0.620917 0.490838 O\n0.380181 0.620230 0.992449 O\n0.874526 0.121336 0.492976 O\n0.878379 0.118627 0.993376 O\n0.875984 0.621078 0.492393 O\n0.877670 0.618173 0.988500 O\n0.395255 0.390459 0.016451 O\n0.384794 0.383417 0.504837 O\n0.390607 0.884118 0.017189 O\n0.383973 0.877750 0.506281 O\n0.889431 0.390151 0.018776 O\n0.880454 0.379196 0.505016 O\n0.891646 0.883346 0.016103 O\n0.881960 0.877457 0.504832 O\n0.082277 0.089299 0.130086 O\n0.079526 0.081601 0.642135 O\n0.082860 0.602124 0.126557 O\n0.075211 0.589888 0.644146 O\n0.586418 0.094071 0.124742 O\n0.574023 0.081908 0.624292 O\n0.589470 0.598194 0.125604 O\n0.577636 0.581118 0.626725 O\n0.446331 0.421061 0.371930 O\n0.454026 0.417766 0.874303 O\n0.450983 0.916209 0.371441 O\n0.456127 0.914305 0.878310 O\n0.930195 0.417172 0.355500 O\n0.952039 0.416337 0.878268 O\n0.947976 0.910221 0.361360 O\n0.955180 0.905604 0.878034 O\n0.329463 0.281784 0.126358 O\n0.324228 0.305200 0.636480 O\n0.331003 0.777683 0.126935 O\n0.322118 0.794053 0.626574 O\n0.832319 0.285418 0.127249 O\n0.822697 0.301171 0.628261 O\n0.835413 0.778327 0.124366 O\n0.826180 0.795069 0.626664 O\n0.181694 0.193130 0.359471 O\n0.193742 0.208720 0.873351 O\n0.194868 0.709520 0.371326 O\n0.199665 0.715672 0.874971 O\n0.693545 0.202706 0.371601 O\n0.703932 0.221745 0.879431 O\n0.695051 0.699377 0.370028 O\n0.708165 0.713463 0.876440 O\n0.415347 0.071072 0.239034 O\n0.429964 0.074072 0.752400 O\n0.422035 0.566300 0.238745 O\n0.434828 0.566882 0.751498 O\n0.923406 0.072338 0.237531 O\n0.935785 0.075391 0.753122 O\n0.921678 0.558617 0.238136 O\n0.936318 0.584925 0.762065 O\n0.169045 0.418415 0.239898 O\n0.188986 0.443880 0.755218 O\n0.168637 0.924960 0.248120 O\n0.183036 0.934633 0.762371 O\n0.672425 0.412730 0.236789 O\n0.677597 0.424529 0.759587 O\n0.670055 0.919572 0.238958 O\n0.686709 0.936081 0.753472 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.353324069626361,
"density_atomic": 0.07278869856420354,
"volume": 1978.3290928465256,
"volume_molar": 8.273455740781172,
"formula_full": "Sr20 Ca12 Ti12 Mn20 O80",
"formula_reduced": "Sr5Ca3Ti3Mn5O20",
"formula_anonymous": "A3B3C5D5E20",
"energy": -1156.8565107099998,
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"formation_energy": null,
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"energy_uncorrected": -1068.53651071,
"band_gap": 0.1095000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 91.6568069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.074000Z",
"spacegroup": 1
},
{
"id": "mp-685251",
"created_at": "2022-09-04T14:48:16.845847Z",
"structure_string": "Nd8 Mo60 Se80\n1.0\n6.833345 0.003553 0.187883\n-0.000389 47.694668 48.648629\n-0.005049 -0.000002 9.729728\nNd Mo Se\n8 60 80\ndirect\n0.000000 0.100000 0.000000 Nd\n0.999673 0.299757 0.001290 Nd\n0.999734 0.399906 0.000563 Nd\n0.000014 0.500005 0.999985 Nd\n0.000000 0.600000 0.000000 Nd\n0.999986 0.699995 0.000015 Nd\n0.000266 0.800094 0.999437 Nd\n0.000327 0.900243 0.998710 Nd\n0.231526 0.086334 0.560239 Mo\n0.234589 0.186436 0.557762 Mo\n0.233276 0.286033 0.560993 Mo\n0.234666 0.386251 0.560538 Mo\n0.234802 0.486267 0.560536 Mo\n0.234754 0.586265 0.560547 Mo\n0.234785 0.686265 0.560541 Mo\n0.234658 0.786279 0.560522 Mo\n0.233583 0.886523 0.560086 Mo\n0.424646 0.032114 0.235039 Mo\n0.234466 0.986480 0.557608 Mo\n0.422670 0.132519 0.236176 Mo\n0.443411 0.018644 0.578720 Mo\n0.424836 0.232084 0.234994 Mo\n0.439261 0.118911 0.576022 Mo\n0.424140 0.332310 0.236849 Mo\n0.443291 0.218582 0.579188 Mo\n0.423758 0.432397 0.236430 Mo\n0.440259 0.318680 0.577365 Mo\n0.423715 0.532399 0.236525 Mo\n0.439895 0.418707 0.577051 Mo\n0.423689 0.632396 0.236520 Mo\n0.439848 0.518708 0.577013 Mo\n0.423683 0.732386 0.236601 Mo\n0.439818 0.618707 0.577005 Mo\n0.560739 0.081089 0.423978 Mo\n0.423683 0.832392 0.236543 Mo\n0.439789 0.718706 0.576994 Mo\n0.556589 0.181356 0.421280 Mo\n0.422277 0.932609 0.235931 Mo\n0.577330 0.067481 0.763824 Mo\n0.439830 0.818715 0.576948 Mo\n0.561595 0.281077 0.424666 Mo\n0.575354 0.167886 0.764961 Mo\n0.438405 0.918923 0.575334 Mo\n0.560170 0.381285 0.423052 Mo\n0.577723 0.267391 0.764069 Mo\n0.560211 0.481294 0.423006 Mo\n0.576318 0.367608 0.763457 Mo\n0.560182 0.581293 0.422995 Mo\n0.576317 0.467614 0.763399 Mo\n0.560152 0.681292 0.422987 Mo\n0.576311 0.567604 0.763480 Mo\n0.560105 0.781293 0.422949 Mo\n0.576285 0.667601 0.763475 Mo\n0.559741 0.881320 0.422635 Mo\n0.576242 0.767603 0.763570 Mo\n0.556709 0.981418 0.420812 Mo\n0.575860 0.867690 0.763151 Mo\n0.765411 0.013564 0.442238 Mo\n0.575164 0.967916 0.765006 Mo\n0.768474 0.113666 0.439761 Mo\n0.765534 0.213520 0.442392 Mo\n0.766417 0.313477 0.439914 Mo\n0.765342 0.413721 0.439478 Mo\n0.765215 0.513735 0.439459 Mo\n0.765246 0.613735 0.439453 Mo\n0.765198 0.713733 0.439464 Mo\n0.765334 0.813749 0.439462 Mo\n0.766724 0.913967 0.439007 Mo\n0.121703 0.037725 0.377763 Se\n0.122837 0.137287 0.376979 Se\n0.121890 0.237740 0.377590 Se\n0.122404 0.337964 0.375360 Se\n0.121808 0.437953 0.374945 Se\n0.121735 0.537959 0.374877 Se\n0.121712 0.637951 0.374909 Se\n0.241331 0.099731 0.241846 Se\n0.121719 0.737940 0.374967 Se\n0.236262 0.200039 0.236683 Se\n0.243668 0.074456 0.878357 Se\n0.121632 0.837919 0.375174 Se\n0.241120 0.299845 0.241599 Se\n0.250404 0.174632 0.876897 Se\n0.122328 0.937416 0.375720 Se\n0.240602 0.399930 0.241257 Se\n0.243828 0.274640 0.877307 Se\n0.240840 0.499914 0.241216 Se\n0.245008 0.374709 0.877968 Se\n0.240820 0.599908 0.241255 Se\n0.245251 0.474727 0.877944 Se\n0.240890 0.699896 0.241341 Se\n0.245252 0.574722 0.877981 Se\n0.240945 0.799873 0.241410 Se\n0.377575 0.037312 0.750214 Se\n0.245240 0.674714 0.878019 Se\n0.241177 0.899783 0.241708 Se\n0.375944 0.136701 0.755395 Se\n0.245285 0.774692 0.878012 Se\n0.236415 0.999982 0.236890 Se\n0.376472 0.237322 0.750332 Se\n0.245039 0.874564 0.878975 Se\n0.374780 0.336718 0.754739 Se\n0.250571 0.974645 0.876864 Se\n0.374625 0.436755 0.754325 Se\n0.374565 0.536750 0.754353 Se\n0.374602 0.636745 0.754365 Se\n0.374645 0.736749 0.754334 Se\n0.375208 0.836695 0.754598 Se\n0.375638 0.936734 0.755318 Se\n0.624056 0.063299 0.244605 Se\n0.622425 0.162688 0.249786 Se\n0.624362 0.263266 0.244682 Se\n0.624792 0.363305 0.245402 Se\n0.625355 0.463251 0.245666 Se\n0.625398 0.563255 0.245635 Se\n0.749596 0.025368 0.123103 Se\n0.625435 0.663250 0.245647 Se\n0.756332 0.125544 0.121643 Se\n0.625375 0.763245 0.245675 Se\n0.763738 0.999961 0.763317 Se\n0.749429 0.225355 0.123136 Se\n0.625220 0.863282 0.245261 Se\n0.758669 0.100269 0.758154 Se\n0.754961 0.325436 0.121025 Se\n0.623528 0.962678 0.249668 Se\n0.763585 0.200018 0.763110 Se\n0.754715 0.425308 0.121988 Se\n0.758823 0.300217 0.758292 Se\n0.754760 0.525286 0.121981 Se\n0.759055 0.400127 0.758590 Se\n0.754748 0.625278 0.122019 Se\n0.759110 0.500104 0.758659 Se\n0.754749 0.725273 0.122056 Se\n0.759180 0.600092 0.758745 Se\n0.877163 0.062713 0.623021 Se\n0.754992 0.825291 0.122032 Se\n0.759160 0.700086 0.758784 Se\n0.878297 0.162275 0.622237 Se\n0.756172 0.925360 0.122693 Se\n0.759398 0.800070 0.758743 Se\n0.877672 0.262584 0.624280 Se\n0.758880 0.900155 0.758401 Se\n0.878368 0.362081 0.624826 Se\n0.878281 0.462060 0.625033 Se\n0.878288 0.562049 0.625091 Se\n0.878265 0.662041 0.625123 Se\n0.878192 0.762047 0.625055 Se\n0.877596 0.862036 0.624640 Se\n0.878110 0.962260 0.622410 Se\n",
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"elements": [
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"Mo",
"Se"
],
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"volume": 3171.100799482868,
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"formula_full": "Nd8 Mo60 Se80",
"formula_reduced": "Nd2(Mo3Se4)5",
"formula_anonymous": "A2B15C20",
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"updated_at": "2021-11-28T01:40:04.905000Z",
"spacegroup": 2
}
]
}