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{
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"results": [
{
"id": "mp-1567233",
"created_at": "2022-09-04T14:42:23.276737Z",
"structure_string": "Mn6 P8 O28\n1.0\n5.846798 -0.253258 1.496993\n-2.543877 13.049661 1.010973\n0.260527 -0.305609 7.708153\nMn P O\n6 8 28\ndirect\n0.487989 0.503456 0.992856 Mn\n0.515620 0.763898 0.664857 Mn\n0.475303 0.235339 0.336819 Mn\n0.988148 0.003189 0.992934 Mn\n0.015144 0.263895 0.665023 Mn\n0.975776 0.735438 0.336637 Mn\n0.516041 0.153434 0.929803 P\n0.016215 0.653347 0.929852 P\n0.979732 0.346115 0.076908 P\n0.479852 0.846141 0.076953 P\n0.944477 0.153193 0.304650 P\n0.444518 0.653210 0.304735 P\n0.571623 0.347755 0.681564 P\n0.071861 0.847667 0.681623 P\n0.120027 0.188239 0.418895 O\n0.620190 0.688187 0.418901 O\n0.403023 0.304981 0.564091 O\n0.903265 0.805011 0.564076 O\n0.696044 0.155485 0.416532 O\n0.196064 0.655510 0.416592 O\n0.824665 0.355739 0.574969 O\n0.324901 0.855684 0.575071 O\n0.314681 0.074608 0.891299 O\n0.814821 0.574532 0.891404 O\n0.175829 0.425669 0.121103 O\n0.675897 0.925677 0.121189 O\n0.490884 0.265007 0.858748 O\n0.990935 0.764906 0.858775 O\n0.026690 0.234258 0.127798 O\n0.526767 0.734311 0.127874 O\n0.505500 0.444444 0.764029 O\n0.005632 0.944319 0.764147 O\n0.982426 0.052224 0.226137 O\n0.482280 0.552257 0.226144 O\n0.997911 0.350828 0.879460 O\n0.498021 0.850812 0.879499 O\n0.477109 0.158281 0.134696 O\n0.977082 0.658250 0.134763 O\n0.732802 0.350775 0.201144 O\n0.232914 0.850862 0.201096 O\n0.760536 0.136536 0.833081 O\n0.260804 0.636532 0.833274 O\n",
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"volume": 580.9703515246647,
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"formula_full": "Mn6 P8 O28",
"formula_reduced": "Mn3(P2O7)2",
"formula_anonymous": "A3B4C14",
"energy": -340.15187881,
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"updated_at": "2021-11-28T01:35:45.214000Z",
"spacegroup": 1
},
{
"id": "mp-697813",
"created_at": "2022-09-04T14:42:26.061079Z",
"structure_string": "Li4 Cr8 P12 O48\n1.0\n9.733732 0.000000 0.000000\n0.792060 9.709971 0.000000\n0.872178 0.772189 9.730492\nLi Cr P O\n4 8 12 48\ndirect\n0.987717 0.241005 0.528858 Li\n0.487460 0.736970 0.034264 Li\n0.026398 0.379099 0.260513 Li\n0.620378 0.813656 0.757635 Li\n0.749452 0.223500 0.022449 Cr\n0.527111 0.001626 0.467305 Cr\n0.477038 0.500370 0.524199 Cr\n0.029389 0.725449 0.750294 Cr\n0.249111 0.275208 0.966585 Cr\n0.250888 0.500178 0.748583 Cr\n0.977650 0.779481 0.251230 Cr\n0.750756 0.000608 0.248938 Cr\n0.183136 0.588901 0.049023 P\n0.843215 0.935819 0.548598 P\n0.547783 0.431406 0.840801 P\n0.314985 0.203796 0.649594 P\n0.951416 0.409172 0.816118 P\n0.826126 0.904094 0.954722 P\n0.660142 0.702346 0.319144 P\n0.451857 0.064476 0.152986 P\n0.686591 0.299136 0.336574 P\n0.047718 0.098866 0.174502 P\n0.348653 0.797821 0.678451 P\n0.159019 0.576123 0.452043 P\n0.604937 0.657994 0.193408 O\n0.552206 0.369697 0.401824 O\n0.114596 0.146306 0.032313 O\n0.082298 0.177455 0.291139 O\n0.821595 0.677178 0.322430 O\n0.188273 0.827549 0.693369 O\n0.897249 0.065109 0.587719 O\n0.400820 0.865227 0.538072 O\n0.926521 0.570171 0.821540 O\n0.078361 0.938693 0.192669 O\n0.878173 0.921513 0.386742 O\n0.676784 0.322715 0.176240 O\n0.171094 0.428897 0.079880 O\n0.836251 0.871163 0.116667 O\n0.113991 0.371226 0.828358 O\n0.907440 0.356206 0.689037 O\n0.310274 0.167945 0.807986 O\n0.421928 0.833816 0.798264 O\n0.321410 0.568343 0.425412 O\n0.413381 0.933435 0.098296 O\n0.573990 0.429197 0.679516 O\n0.700449 0.841175 0.915141 O\n0.589612 0.562414 0.890341 O\n0.170500 0.626496 0.887367 O\n0.330755 0.366523 0.617819 O\n0.615066 0.078546 0.119290 O\n0.683115 0.927060 0.582827 O\n0.313409 0.639728 0.089929 O\n0.882619 0.346012 0.954299 O\n0.965431 0.850697 0.886041 O\n0.821533 0.341295 0.377644 O\n0.416997 0.065740 0.310919 O\n0.622332 0.864989 0.331091 O\n0.616637 0.293922 0.899663 O\n0.098976 0.450993 0.408293 O\n0.451901 0.135525 0.589023 O\n0.380884 0.633359 0.666721 O\n0.104887 0.715682 0.384368 O\n0.670299 0.137046 0.377008 O\n0.883033 0.129225 0.163172 O\n0.123181 0.584956 0.614166 O\n0.908798 0.799830 0.619697 O\n0.185989 0.166514 0.590477 O\n0.047428 0.654325 0.121652 O\n0.599624 0.634589 0.458507 O\n0.815440 0.065699 0.924453 O\n0.383274 0.198210 0.086237 O\n0.384770 0.416579 0.877186 O\n",
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"elements": [
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],
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"density_atomic": 0.07828893389618105,
"volume": 919.6702064621188,
"volume_molar": 7.69219921679603,
"formula_full": "Li4 Cr8 P12 O48",
"formula_reduced": "LiCr2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -559.14114499,
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"updated_at": "2021-11-28T01:35:49.758000Z",
"spacegroup": 1
},
{
"id": "mp-1212401",
"created_at": "2022-09-04T14:42:26.062839Z",
"structure_string": "K8 V4 Ag4 S8\n1.0\n11.898919 0.000000 0.000000\n5.949459 4.542603 0.000000\n5.949459 0.000000 12.026093\nK V Ag S\n8 4 4 8\ndirect\n0.747793 0.173640 0.552765 K\n0.699442 0.826360 0.552765 K\n0.078567 0.173640 0.447235 K\n0.002207 0.326360 0.947235 K\n0.474198 0.826360 0.447235 K\n0.050558 0.673640 0.947235 K\n0.671433 0.326360 0.052765 K\n0.275802 0.673640 0.052765 K\n0.875000 0.250000 0.250000 V\n0.875000 0.750000 0.250000 V\n0.875000 0.250000 0.750000 V\n0.375000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 Ag\n0.375000 0.750000 0.250000 Ag\n0.375000 0.250000 0.750000 Ag\n0.875000 0.750000 0.750000 Ag\n0.122742 0.214989 0.176580 S\n0.700678 0.785011 0.176580 S\n0.662269 0.214989 0.823420 S\n0.627258 0.285011 0.323420 S\n0.514311 0.785011 0.823420 S\n0.049322 0.714989 0.323420 S\n0.087731 0.285011 0.676580 S\n0.235689 0.714989 0.676580 S\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "K8 V4 Ag4 S8",
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"formula_anonymous": "ABC2D2",
"energy": -100.20927283,
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"updated_at": "2021-11-28T01:35:45.348000Z",
"spacegroup": 70
},
{
"id": "mp-760257",
"created_at": "2022-09-04T14:42:22.137832Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n-5.289604 0.000000 0.000000\n-0.030617 -9.056137 0.000000\n2.512059 4.461476 10.195619\nLi Fe B O\n4 8 8 24\ndirect\n0.160735 0.829413 0.644128 Li\n0.354459 0.684214 0.385543 Li\n0.607960 0.951704 0.905264 Li\n0.428124 0.066201 0.164548 Li\n0.404901 0.718158 0.131285 Fe\n0.095079 0.765367 0.879876 Fe\n0.851616 0.864599 0.382889 Fe\n0.662159 0.641526 0.625281 Fe\n0.349962 0.347140 0.384086 Fe\n0.139806 0.168854 0.632584 Fe\n0.910883 0.242786 0.131298 Fe\n0.596802 0.271566 0.868090 Fe\n0.641990 0.977723 0.629052 B\n0.898679 0.909049 0.129629 B\n0.149295 0.491025 0.632074 B\n0.401950 0.383019 0.125858 B\n0.848613 0.529437 0.372711 B\n0.601003 0.611521 0.881822 B\n0.350310 0.009091 0.377039 B\n0.106915 0.103736 0.877895 B\n0.127033 0.874474 0.084975 O\n0.471730 0.863918 0.351412 O\n0.217786 0.960320 0.866553 O\n0.505605 0.841991 0.618725 O\n0.877815 0.963513 0.589073 O\n0.797593 0.820295 0.186614 O\n0.312910 0.529574 0.159455 O\n0.064305 0.650774 0.685955 O\n0.719056 0.726279 0.849777 O\n0.620210 0.536090 0.412861 O\n0.986414 0.670147 0.390536 O\n0.379945 0.656227 0.930009 O\n0.617721 0.342801 0.068902 O\n0.361335 0.478928 0.578483 O\n0.286712 0.260472 0.149919 O\n0.952985 0.382883 0.317218 O\n0.698307 0.471074 0.870936 O\n0.224173 0.213375 0.846265 O\n0.134884 0.022384 0.430527 O\n0.439043 0.124788 0.346027 O\n0.013336 0.368392 0.634629 O\n0.762516 0.034088 0.111238 O\n0.548562 0.128108 0.679721 O\n0.870881 0.132213 0.917724 O\n",
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"density_atomic": 0.09008924232224126,
"volume": 488.40459599622216,
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"formula_full": "Li4 Fe8 B8 O24",
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"spacegroup": 1
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{
"id": "mp-1103931",
"created_at": "2022-09-04T14:42:23.290804Z",
"structure_string": "U1 Br4 N2 O4\n1.0\n6.684278 -0.506105 0.808391\n-4.289501 4.645989 -2.519795\n3.489602 0.707699 12.740499\nU Br N O\n1 4 2 4\ndirect\n0.000000 0.000000 0.000000 U\n0.791428 0.731290 0.600930 Br\n0.208572 0.268710 0.399070 Br\n0.678011 0.582072 0.139912 Br\n0.321989 0.417928 0.860088 Br\n0.118556 0.824095 0.593022 N\n0.881444 0.175905 0.406978 N\n0.782773 0.098108 0.061168 O\n0.217227 0.901892 0.938832 O\n0.321435 0.416909 0.127214 O\n0.678565 0.583091 0.872786 O\n",
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"elements": [
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"N",
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],
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"volume": 368.8082387055485,
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"formula_full": "U1 Br4 N2 O4",
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"formula_anonymous": "AB2C4D4",
"energy": -61.07456631,
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},
{
"id": "mp-1294077",
"created_at": "2022-09-04T14:42:26.071323Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.808338 3.809791 -0.000085\n-3.809222 -3.810670 0.000103\n-0.000473 -3.810551 12.273138\nSr Y Co O\n4 4 4 16\ndirect\n0.821747 0.178207 0.643890 Sr\n0.322409 0.677604 0.645273 Sr\n0.572450 0.927549 0.145502 Sr\n0.071835 0.428172 0.143950 Sr\n0.930714 0.569327 0.860600 Y\n0.431200 0.068745 0.862170 Y\n0.680787 0.319374 0.360669 Y\n0.181287 0.818692 0.362154 Y\n0.749735 0.750225 0.499489 Co\n0.499778 0.500227 0.999530 Co\n0.251974 0.248080 0.503886 Co\n0.001880 0.998030 0.003848 Co\n0.917116 0.083058 0.833897 O\n0.419591 0.580180 0.839328 O\n0.669748 0.830290 0.339474 O\n0.166676 0.333164 0.333822 O\n0.837838 0.662079 0.676004 O\n0.340719 0.159408 0.681396 O\n0.587893 0.412057 0.176301 O\n0.090613 0.909400 0.181412 O\n0.735494 0.748009 0.987445 O\n0.252077 0.264424 0.987523 O\n0.487308 0.498802 0.489241 O\n0.002040 0.011865 0.489306 O\n0.237571 0.762007 0.989236 O\n0.751810 0.248744 0.989316 O\n0.984767 0.513689 0.487678 O\n0.502944 0.998589 0.487666 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.583719914999721,
"density_atomic": 0.07860290798661279,
"volume": 356.22091748525133,
"volume_molar": 7.661473238401889,
"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
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{
"id": "mp-771780",
"created_at": "2022-09-04T14:42:23.292621Z",
"structure_string": "Li3 Zn1 Fe20 O32\n1.0\n6.011771 5.970666 0.000000\n-6.011771 5.970666 0.000000\n0.000000 0.079724 8.476764\nLi Zn Fe O\n3 1 20 32\ndirect\n0.126077 0.627563 0.875348 Li\n0.624720 0.624720 0.373881 Li\n0.627563 0.126077 0.875348 Li\n0.005515 0.005515 0.993490 Zn\n0.001994 0.506914 0.496295 Fe\n0.127009 0.127009 0.373130 Fe\n0.123639 0.872334 0.632326 Fe\n0.131226 0.378491 0.120996 Fe\n0.247843 0.747151 0.250625 Fe\n0.248865 0.248865 0.761073 Fe\n0.375064 0.625360 0.623117 Fe\n0.378491 0.131226 0.120996 Fe\n0.374380 0.876777 0.876766 Fe\n0.380783 0.380783 0.373166 Fe\n0.506914 0.001994 0.496295 Fe\n0.505311 0.505311 0.993348 Fe\n0.624621 0.877460 0.124426 Fe\n0.625360 0.375064 0.623117 Fe\n0.744162 0.744162 0.757339 Fe\n0.747151 0.247843 0.250625 Fe\n0.872069 0.872069 0.373717 Fe\n0.876777 0.374380 0.876766 Fe\n0.877460 0.624621 0.124426 Fe\n0.872334 0.123639 0.632326 Fe\n0.116025 0.887470 0.382447 O\n0.114504 0.614750 0.126350 O\n0.118661 0.118661 0.615729 O\n0.136771 0.635473 0.621877 O\n0.112317 0.375926 0.886288 O\n0.126700 0.365222 0.365873 O\n0.140996 0.872378 0.858986 O\n0.141366 0.141366 0.135751 O\n0.371852 0.872068 0.629944 O\n0.365222 0.126700 0.365873 O\n0.375907 0.636530 0.865630 O\n0.373501 0.629375 0.387193 O\n0.366823 0.366823 0.121432 O\n0.379560 0.888208 0.118908 O\n0.382116 0.382116 0.631724 O\n0.375926 0.112317 0.886288 O\n0.616340 0.616340 0.624536 O\n0.613229 0.877970 0.885043 O\n0.629375 0.373501 0.387193 O\n0.635486 0.877275 0.365457 O\n0.614750 0.114504 0.126350 O\n0.635473 0.136771 0.621877 O\n0.635291 0.635291 0.126048 O\n0.636530 0.375907 0.865630 O\n0.877275 0.635486 0.365457 O\n0.872068 0.371852 0.629944 O\n0.866783 0.866783 0.134601 O\n0.881626 0.881626 0.618700 O\n0.872378 0.140996 0.858986 O\n0.877970 0.613229 0.885043 O\n0.887470 0.116025 0.382447 O\n0.888208 0.379560 0.118908 O\n",
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],
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"formula_full": "Li3 Zn1 Fe20 O32",
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