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{
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"results": [
{
"id": "mp-772429",
"created_at": "2022-09-04T14:46:15.780969Z",
"structure_string": "Li8 V4 B20 O40\n1.0\n15.402505 0.000000 0.000000\n0.000000 7.262050 0.000000\n0.000000 0.112059 7.289604\nLi V B O\n8 4 20 40\ndirect\n0.831321 0.901185 0.999908 Li\n0.668679 0.901185 0.499908 Li\n0.074005 0.694854 0.590522 Li\n0.425995 0.694854 0.090522 Li\n0.574005 0.305146 0.909478 Li\n0.925995 0.305146 0.409478 Li\n0.331321 0.098815 0.500092 Li\n0.168679 0.098815 0.000092 Li\n0.875905 0.847971 0.535574 V\n0.624095 0.847971 0.035574 V\n0.375905 0.152029 0.964426 V\n0.124095 0.152029 0.464426 V\n0.974001 0.797922 0.908735 B\n0.525999 0.797922 0.408735 B\n0.223372 0.783436 0.521325 B\n0.276628 0.783436 0.021325 B\n0.495757 0.752771 0.733381 B\n0.004243 0.752771 0.233381 B\n0.379552 0.681991 0.505314 B\n0.120448 0.681991 0.005314 B\n0.741906 0.542395 0.501082 B\n0.758094 0.542395 0.001082 B\n0.241906 0.457605 0.998918 B\n0.258094 0.457605 0.498918 B\n0.879552 0.318009 0.994686 B\n0.620448 0.318009 0.494686 B\n0.995757 0.247229 0.766619 B\n0.504243 0.247229 0.266619 B\n0.723372 0.216564 0.978675 B\n0.776628 0.216564 0.478675 B\n0.474001 0.202078 0.591265 B\n0.025999 0.202078 0.091265 B\n0.157623 0.906910 0.538800 O\n0.342377 0.906910 0.038800 O\n0.911339 0.849683 0.787278 O\n0.588661 0.849683 0.287278 O\n0.190978 0.829505 0.993761 O\n0.548545 0.829051 0.593944 O\n0.309022 0.829505 0.493761 O\n0.951455 0.829051 0.093944 O\n0.523707 0.750203 0.912301 O\n0.976293 0.750203 0.412301 O\n0.767224 0.722743 0.509460 O\n0.052741 0.723534 0.862258 O\n0.732776 0.722743 0.009460 O\n0.447259 0.723534 0.362258 O\n0.416997 0.682076 0.690186 O\n0.083003 0.682076 0.190186 O\n0.197376 0.597093 0.537275 O\n0.302624 0.597093 0.037275 O\n0.657372 0.497961 0.530689 O\n0.157372 0.502039 0.969311 O\n0.842628 0.497961 0.030689 O\n0.342628 0.502039 0.469311 O\n0.697376 0.402907 0.962725 O\n0.802624 0.402907 0.462725 O\n0.916997 0.317924 0.809814 O\n0.583003 0.317924 0.309814 O\n0.552741 0.276466 0.637742 O\n0.267224 0.277257 0.990540 O\n0.947259 0.276466 0.137742 O\n0.232776 0.277257 0.490540 O\n0.023707 0.249797 0.587699 O\n0.476293 0.249797 0.087699 O\n0.048545 0.170949 0.906056 O\n0.690978 0.170495 0.506239 O\n0.451455 0.170949 0.406056 O\n0.809022 0.170495 0.006239 O\n0.411339 0.150317 0.712722 O\n0.088661 0.150317 0.212722 O\n0.657623 0.093090 0.961200 O\n0.842377 0.093090 0.461200 O\n",
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],
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"volume": 815.3696267734441,
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"formula_full": "Li8 V4 B20 O40",
"formula_reduced": "Li2V(BO2)5",
"formula_anonymous": "AB2C5D10",
"energy": -580.7116422,
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"updated_at": "2021-11-28T01:37:25.692000Z",
"spacegroup": 14
},
{
"id": "mp-1222269",
"created_at": "2022-09-04T14:43:55.575951Z",
"structure_string": "Mg3 Ti4 P6 O24\n1.0\n6.491087 0.000000 0.000000\n-1.555606 7.885452 0.000000\n-3.018056 -3.005577 8.371905\nMg Ti P O\n3 4 6 24\ndirect\n0.781192 0.309883 0.286785 Mg\n0.218808 0.690117 0.713215 Mg\n0.500000 0.500000 0.000000 Mg\n0.449299 0.779473 0.473662 Ti\n0.550701 0.220527 0.526338 Ti\n0.900131 0.962563 0.117198 Ti\n0.099869 0.037437 0.882802 Ti\n0.422714 0.912442 0.167991 P\n0.577286 0.087558 0.832009 P\n0.890908 0.723118 0.367488 P\n0.109092 0.276882 0.632512 P\n0.271100 0.354994 0.228111 P\n0.728900 0.645006 0.771889 P\n0.294514 0.554523 0.297259 O\n0.705486 0.445477 0.702741 O\n0.443691 0.958574 0.346984 O\n0.556309 0.041426 0.653016 O\n0.796538 0.036943 0.915598 O\n0.203462 0.963057 0.084402 O\n0.952275 0.860462 0.287193 O\n0.047725 0.139538 0.712807 O\n0.520078 0.687991 0.664406 O\n0.479922 0.312009 0.335594 O\n0.732772 0.692426 0.944095 O\n0.267228 0.307574 0.055905 O\n0.403889 0.720735 0.086994 O\n0.596111 0.279265 0.913006 O\n0.631862 0.044443 0.166669 O\n0.368138 0.955557 0.833331 O\n0.744500 0.775254 0.460419 O\n0.255500 0.224746 0.539581 O\n0.044581 0.241892 0.226537 O\n0.955419 0.758108 0.773463 O\n0.117421 0.717422 0.491340 O\n0.882579 0.282578 0.508660 O\n0.765131 0.535458 0.234651 O\n0.234869 0.464542 0.765349 O\n",
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"elements": [
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"volume": 428.5172547883427,
"volume_molar": 6.974570882227524,
"formula_full": "Mg3 Ti4 P6 O24",
"formula_reduced": "Mg3Ti4(PO4)6",
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"energy": -298.41671589,
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"updated_at": "2021-11-28T01:36:28.227000Z",
"spacegroup": 2
},
{
"id": "mp-1220060",
"created_at": "2022-09-04T14:39:08.676448Z",
"structure_string": "Pr3 Tm3 Mn23\n1.0\n-6.112481 0.000000 -6.112481\n6.112481 -6.112481 0.000000\n-6.116862 -6.116862 0.004380\nPr Tm Mn\n3 3 23\ndirect\n0.587022 0.293511 0.704925 Pr\n0.001564 0.708053 0.704925 Pr\n0.001564 0.293511 0.704925 Pr\n0.427015 0.713508 0.283340 Tm\n0.003153 0.289645 0.283340 Tm\n0.003153 0.713508 0.283340 Tm\n0.637540 0.318770 0.043689 Mn\n0.358161 0.321826 0.320013 Mn\n0.358161 0.036335 0.320013 Mn\n0.643652 0.321826 0.320013 Mn\n0.357318 0.678659 0.964023 Mn\n0.641635 0.680443 0.677923 Mn\n0.641635 0.961192 0.677923 Mn\n0.360885 0.680443 0.677923 Mn\n0.994774 0.997387 0.007840 Mn\n0.236561 0.118281 0.645158 Mn\n0.764193 0.117027 0.118780 Mn\n0.764193 0.647167 0.118780 Mn\n0.234053 0.117027 0.118780 Mn\n0.765196 0.882598 0.352205 Mn\n0.236540 0.880001 0.883459 Mn\n0.236540 0.356539 0.883459 Mn\n0.760002 0.880001 0.883459 Mn\n0.999896 0.999948 0.496293 Mn\n0.503759 0.503811 0.496293 Mn\n0.503759 0.999948 0.496293 Mn\n0.997832 0.498916 0.010962 Mn\n0.490122 0.991206 0.010962 Mn\n0.490122 0.498916 0.010962 Mn\n",
"nsites": 29,
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"elements": [
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"Tm",
"Mn"
],
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"density": 7.964499150231128,
"density_atomic": 0.06342329690527457,
"volume": 457.24523030256137,
"volume_molar": 9.495155650760834,
"formula_full": "Pr3 Tm3 Mn23",
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"updated_at": "2021-11-28T01:34:45.159000Z",
"spacegroup": 160
},
{
"id": "mp-4342",
"created_at": "2022-09-04T14:42:49.553494Z",
"structure_string": "K1 Nb1 O3\n1.0\n4.028665 0.000000 0.000000\n0.000000 4.028665 0.000000\n0.000000 0.000000 4.218740\nK Nb O\n1 1 3\ndirect\n0.500000 0.500000 0.505211 K\n0.000000 0.000000 0.021747 Nb\n0.500000 0.000000 0.972551 O\n0.000000 0.500000 0.972551 O\n0.000000 0.000000 0.462741 O\n",
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"spacegroup": 99
},
{
"id": "mp-1207819",
"created_at": "2022-09-04T14:47:34.259169Z",
"structure_string": "Tm4 Tl4 Mo8 O32\n1.0\n0.000000 -6.089619 0.000000\n-15.331168 0.000000 0.000000\n0.000000 0.000000 -9.075543\nTm Tl Mo O\n4 4 8 32\ndirect\n0.750000 0.893736 0.695178 Tm\n0.250000 0.106264 0.304822 Tm\n0.250000 0.606264 0.195178 Tm\n0.750000 0.393736 0.804822 Tm\n0.750000 0.625268 0.556220 Tl\n0.250000 0.374732 0.443780 Tl\n0.250000 0.874732 0.056220 Tl\n0.750000 0.125268 0.943780 Tl\n0.750000 0.960494 0.282554 Mo\n0.250000 0.039506 0.717446 Mo\n0.250000 0.539506 0.782554 Mo\n0.750000 0.460494 0.217446 Mo\n0.750000 0.716214 0.995650 Mo\n0.250000 0.283786 0.004350 Mo\n0.250000 0.783786 0.495650 Mo\n0.750000 0.216214 0.504350 Mo\n0.750000 0.852915 0.219681 O\n0.250000 0.147085 0.780319 O\n0.250000 0.647085 0.719681 O\n0.750000 0.352915 0.280319 O\n0.750000 0.962681 0.480249 O\n0.250000 0.037319 0.519751 O\n0.250000 0.537319 0.980249 O\n0.750000 0.462681 0.019751 O\n0.750000 0.640275 0.851872 O\n0.250000 0.359725 0.148128 O\n0.250000 0.859725 0.351872 O\n0.750000 0.140275 0.648128 O\n0.750000 0.822786 0.907830 O\n0.250000 0.177214 0.092170 O\n0.250000 0.677214 0.407830 O\n0.750000 0.322786 0.592170 O\n0.002299 0.804212 0.601965 O\n0.997701 0.195788 0.398035 O\n0.997701 0.695788 0.101965 O\n0.502299 0.195788 0.398035 O\n0.002299 0.304212 0.898035 O\n0.497701 0.804212 0.601965 O\n0.497701 0.304212 0.898035 O\n0.502299 0.695788 0.101965 O\n0.490442 0.982034 0.789447 O\n0.509558 0.017966 0.210554 O\n0.509558 0.517966 0.289446 O\n0.990442 0.017966 0.210554 O\n0.490442 0.482034 0.710553 O\n0.009558 0.982034 0.789447 O\n0.009558 0.482034 0.710553 O\n0.990442 0.517966 0.289446 O\n",
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{
"id": "mp-694629",
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"structure_string": "V9 P12 O48\n1.0\n7.641686 0.000000 0.000000\n0.057906 9.023949 0.000000\n0.230274 1.324364 13.222917\nV P O\n9 12 48\ndirect\n0.539825 0.675077 0.830267 V\n0.360253 0.741220 0.174455 V\n0.519013 0.318310 0.157835 V\n0.988700 0.150448 0.827764 V\n0.853597 0.092629 0.492200 V\n0.012260 0.515958 0.507316 V\n0.462254 0.990514 0.502233 V\n0.966700 0.844163 0.169374 V\n0.147109 0.574054 0.841559 V\n0.187629 0.201276 0.615708 P\n0.316410 0.674253 0.612397 P\n0.831366 0.161304 0.053242 P\n0.700822 0.634460 0.052037 P\n0.785663 0.808651 0.390740 P\n0.289529 0.023806 0.278996 P\n0.687102 0.991079 0.721677 P\n0.216442 0.854799 0.944184 P\n0.168633 0.519641 0.279509 P\n0.664421 0.312611 0.385931 P\n0.813800 0.463643 0.719027 P\n0.335023 0.354343 0.947525 P\n0.333320 0.355545 0.064819 O\n0.872113 0.684021 0.096470 O\n0.602383 0.839161 0.432086 O\n0.301552 0.660541 0.735695 O\n0.377531 0.529005 0.907159 O\n0.912238 0.936696 0.423536 O\n0.445460 0.240881 0.906357 O\n0.637708 0.511680 0.762673 O\n0.641615 0.817657 0.744619 O\n0.862213 0.657981 0.427628 O\n0.136250 0.005692 0.914849 O\n0.961277 0.260482 0.090743 O\n0.042666 0.102183 0.575934 O\n0.859440 0.299762 0.433253 O\n0.139089 0.369889 0.901033 O\n0.170296 0.515796 0.397042 O\n0.210211 0.828290 0.065666 O\n0.877275 0.998585 0.762618 O\n0.549712 0.735733 0.087001 O\n0.127775 0.694508 0.240250 O\n0.710359 0.657269 0.934141 O\n0.870947 0.987779 0.088224 O\n0.107552 0.991347 0.240936 O\n0.957299 0.564503 0.758741 O\n0.453205 0.574992 0.578569 O\n0.550812 0.089908 0.756433 O\n0.416295 0.891626 0.246244 O\n0.178576 0.176029 0.733292 O\n0.547643 0.424669 0.423827 O\n0.366529 0.534258 0.232247 O\n0.823263 0.490019 0.601596 O\n0.833770 0.162075 0.934575 O\n0.635869 0.171767 0.090228 O\n0.623892 0.137987 0.426076 O\n0.397898 0.826914 0.900870 O\n0.366581 0.171724 0.236979 O\n0.853355 0.298992 0.748041 O\n0.659085 0.471074 0.082888 O\n0.700187 0.005756 0.598056 O\n0.293576 0.012623 0.396549 O\n0.149356 0.366008 0.584511 O\n0.670853 0.314442 0.268446 O\n0.125915 0.665991 0.572069 O\n0.360021 0.847797 0.588045 O\n0.790438 0.822535 0.273198 O\n0.088167 0.727933 0.913358 O\n0.055774 0.408828 0.241209 O\n0.363389 0.151548 0.572595 O\n",
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{
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