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{
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"results": [
{
"id": "mp-1245004",
"created_at": "2022-09-04T14:42:29.535253Z",
"structure_string": "Zn50 S50\n1.0\n13.184034 0.715794 1.023512\n0.663641 13.734512 0.667657\n0.984698 0.644465 13.050411\nZn S\n50 50\ndirect\n0.479308 0.565215 0.762183 Zn\n0.441509 0.127470 0.798125 Zn\n0.629888 0.335237 0.849969 Zn\n0.488521 0.091091 0.610880 Zn\n0.022149 0.903858 0.324302 Zn\n0.875645 0.626282 0.511673 Zn\n0.988086 0.129035 0.946503 Zn\n0.696486 0.715181 0.991084 Zn\n0.014557 0.340773 0.963649 Zn\n0.131358 0.168696 0.775613 Zn\n0.559455 0.325643 0.337199 Zn\n0.707566 0.513882 0.881925 Zn\n0.472999 0.009411 0.012786 Zn\n0.007230 0.147825 0.208340 Zn\n0.134827 0.670690 0.392135 Zn\n0.617486 0.318661 0.127406 Zn\n0.361693 0.251201 0.579340 Zn\n0.837621 0.996496 0.260596 Zn\n0.639355 0.014997 0.067820 Zn\n0.056886 0.953633 0.642194 Zn\n0.369385 0.788980 0.387429 Zn\n0.603916 0.888415 0.290044 Zn\n0.925257 0.087469 0.474477 Zn\n0.522853 0.920469 0.549648 Zn\n0.254024 0.302262 0.345553 Zn\n0.179247 0.089013 0.948046 Zn\n0.035277 0.798066 0.907192 Zn\n0.682577 0.463368 0.641323 Zn\n0.542725 0.271383 0.590762 Zn\n0.624753 0.948949 0.870521 Zn\n0.273406 0.694884 0.184074 Zn\n0.212172 0.666565 0.673899 Zn\n0.499736 0.950770 0.753460 Zn\n0.806888 0.443499 0.150150 Zn\n0.464221 0.238511 0.215130 Zn\n0.733613 0.709242 0.674537 Zn\n0.765059 0.413291 0.383385 Zn\n0.951017 0.469328 0.704379 Zn\n0.130930 0.428242 0.583878 Zn\n0.610978 0.551300 0.101237 Zn\n0.335310 0.531505 0.410691 Zn\n0.990710 0.320317 0.588138 Zn\n0.241725 0.428816 0.814352 Zn\n0.837797 0.849306 0.398695 Zn\n0.270285 0.214404 0.111727 Zn\n0.613798 0.660629 0.407578 Zn\n0.032464 0.526648 0.288456 Zn\n0.139074 0.527047 0.000432 Zn\n0.305441 0.819039 0.973987 Zn\n0.256563 0.902830 0.744547 Zn\n0.610082 0.645908 0.801340 S\n0.869311 0.146382 0.326713 S\n0.454624 0.920799 0.392830 S\n0.868998 0.869265 0.944442 S\n0.320196 0.364290 0.120100 S\n0.318651 0.159605 0.272459 S\n0.637011 0.467917 0.258329 S\n0.106187 0.703189 0.042654 S\n0.588837 0.180081 0.913970 S\n0.187984 0.582527 0.541456 S\n0.416187 0.830426 0.699632 S\n0.722016 0.079987 0.904861 S\n0.386695 0.362663 0.419417 S\n0.183290 0.920028 0.919809 S\n0.306284 0.584016 0.789209 S\n0.694740 0.798404 0.518050 S\n0.084940 0.986250 0.165540 S\n0.917997 0.411871 0.270739 S\n0.338343 0.122924 0.970595 S\n0.964826 0.682887 0.362821 S\n0.865260 0.267146 0.953765 S\n0.762276 0.820569 0.859715 S\n0.960579 0.082287 0.736577 S\n0.009722 0.592264 0.114684 S\n0.565945 0.435316 0.997151 S\n0.200713 0.057399 0.647924 S\n0.675049 0.280370 0.454685 S\n0.099880 0.365881 0.430048 S\n0.785358 0.401654 0.762614 S\n0.732913 0.545884 0.487759 S\n0.799379 0.274310 0.109834 S\n0.794780 0.563387 0.005901 S\n0.682910 0.734923 0.245316 S\n0.440952 0.642515 0.451871 S\n0.217526 0.807887 0.315169 S\n0.097393 0.233916 0.078239 S\n0.571147 0.722611 0.139565 S\n0.225046 0.312908 0.697808 S\n0.902269 0.176914 0.618638 S\n0.955330 0.998258 0.086634 S\n0.223741 0.552549 0.277516 S\n0.115255 0.805106 0.729302 S\n0.323905 0.098143 0.536671 S\n0.670404 0.032129 0.227529 S\n0.902572 0.639837 0.674111 S\n0.531817 0.401240 0.715378 S\n0.059854 0.472463 0.860229 S\n0.982603 0.928346 0.502014 S\n0.302971 0.454470 0.983301 S\n0.397011 0.701383 0.043349 S\n",
"nsites": 100,
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"elements": [
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],
"chemical_system": "S-Zn",
"density": 3.461028157630038,
"density_atomic": 0.04276586319792843,
"volume": 2338.3136109560387,
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"formula_full": "Zn50 S50",
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"updated_at": "2021-11-28T01:35:48.675000Z",
"spacegroup": 1
},
{
"id": "mp-561375",
"created_at": "2022-09-04T14:42:25.850485Z",
"structure_string": "Pr20 S38\n1.0\n9.034001 0.000000 0.000000\n0.000000 9.034001 0.000000\n0.000000 0.000000 16.336940\nPr S\n20 38\ndirect\n0.500000 0.000000 0.635751 Pr\n0.104193 0.194439 0.647516 Pr\n0.604193 0.694439 0.852484 Pr\n0.098307 0.209211 0.127550 Pr\n0.598307 0.709211 0.372450 Pr\n0.194439 0.895807 0.352484 Pr\n0.500000 0.000000 0.135751 Pr\n0.000000 0.500000 0.864249 Pr\n0.805561 0.104193 0.352484 Pr\n0.290789 0.598307 0.627550 Pr\n0.395807 0.305561 0.852484 Pr\n0.401693 0.290789 0.372450 Pr\n0.901693 0.790789 0.127550 Pr\n0.895807 0.805561 0.647516 Pr\n0.694439 0.395807 0.147516 Pr\n0.209211 0.901693 0.872450 Pr\n0.709211 0.401693 0.627550 Pr\n0.000000 0.500000 0.364249 Pr\n0.305561 0.604193 0.147516 Pr\n0.790789 0.098307 0.872450 Pr\n0.000000 0.500000 0.684037 S\n0.719755 0.946500 0.500992 S\n0.639606 0.171429 0.499957 S\n0.598215 0.700773 0.675945 S\n0.553500 0.219755 0.000992 S\n0.700773 0.401785 0.324055 S\n0.053500 0.719755 0.499008 S\n0.901785 0.799227 0.824055 S\n0.671429 0.860394 0.999957 S\n0.780245 0.553500 0.999008 S\n0.139606 0.671429 0.000043 S\n0.000000 0.000000 0.000000 S\n0.898174 0.803023 0.312006 S\n0.200773 0.901785 0.175945 S\n0.303023 0.601826 0.812006 S\n0.219755 0.446500 0.999008 S\n0.101826 0.196977 0.312006 S\n0.299227 0.598215 0.324055 S\n0.280245 0.053500 0.500992 S\n0.860394 0.328571 0.000043 S\n0.946500 0.280245 0.499008 S\n0.098215 0.200773 0.824055 S\n0.328571 0.139606 0.999957 S\n0.500000 0.000000 0.315963 S\n0.171429 0.360394 0.500043 S\n0.000000 0.500000 0.184037 S\n0.828571 0.639606 0.500043 S\n0.398174 0.303023 0.187994 S\n0.360394 0.828571 0.499957 S\n0.601826 0.696977 0.187994 S\n0.446500 0.780245 0.000992 S\n0.799227 0.098215 0.175945 S\n0.196977 0.898174 0.687994 S\n0.696977 0.398174 0.812006 S\n0.401785 0.299227 0.675945 S\n0.500000 0.000000 0.815963 S\n0.500000 0.500000 0.500000 S\n0.803023 0.101826 0.687994 S\n",
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"elements": [
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"density": 5.027317399358435,
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"volume": 1333.3095279584882,
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"formula_full": "Pr20 S38",
"formula_reduced": "Pr10S19",
"formula_anonymous": "A10B19",
"energy": -376.06660524,
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"updated_at": "2021-11-28T01:35:44.570000Z",
"spacegroup": 86
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{
"id": "mp-16731",
"created_at": "2022-09-04T14:42:45.814026Z",
"structure_string": "Y1 P1\n1.0\n3.478940 0.000000 0.000000\n0.000000 3.478940 0.000000\n0.000000 0.000000 3.478940\nY P\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "P-Y",
"density": 4.727740275775836,
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"volume": 42.10569265719299,
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"formula_full": "Y1 P1",
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"energy": -14.02946261,
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"updated_at": "2021-11-28T01:35:55.523000Z",
"spacegroup": 221
},
{
"id": "mp-975439",
"created_at": "2022-09-04T14:42:45.820449Z",
"structure_string": "Mn3 S1\n1.0\n3.578445 0.000000 0.000000\n0.000000 3.578445 0.000000\n0.000000 0.000000 3.578445\nMn S\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-S",
"density": 7.134536273194737,
"density_atomic": 0.08729250402152033,
"volume": 45.82294945982847,
"volume_molar": 6.898806292136326,
"formula_full": "Mn3 S1",
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"spacegroup": 221
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{
"id": "mp-1024948",
"created_at": "2022-09-04T14:42:25.986087Z",
"structure_string": "Lu2 Zn4\n1.0\n-2.211906 3.473689 3.751093\n2.211906 -3.473689 3.751093\n2.211906 3.473689 -3.751093\nLu Zn\n2 4\ndirect\n0.786142 0.536142 0.250000 Lu\n0.213858 0.463858 0.750000 Lu\n0.212045 0.165682 0.046364 Zn\n0.787955 0.834318 0.953636 Zn\n0.619318 0.165682 0.453636 Zn\n0.380682 0.834318 0.546364 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.808862839641039,
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"volume": 115.28569526483227,
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"formula_full": "Lu2 Zn4",
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"spacegroup": 74
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{
"id": "mp-1184626",
"created_at": "2022-09-04T14:42:42.627897Z",
"structure_string": "Hf3 Be1\n1.0\n-2.092000 2.092000 4.353046\n2.092000 -2.092000 4.353046\n2.092000 2.092000 -4.353046\nHf Be\n3 1\ndirect\n0.750000 0.250000 0.500000 Hf\n0.250000 0.750000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
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],
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"density": 11.864683605647198,
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"volume": 76.203796437376,
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"formula_full": "Hf3 Be1",
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"spacegroup": 139
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{
"id": "mp-680682",
"created_at": "2022-09-04T14:42:42.959025Z",
"structure_string": "K12 Ga52\n1.0\n3.262664 -8.187680 0.000000\n3.262664 8.187680 0.000000\n0.000000 0.000000 28.904055\nK Ga\n12 52\ndirect\n0.786640 0.213360 0.086731 K\n0.011554 0.988446 0.138408 K\n0.638295 0.361705 0.180590 K\n0.011554 0.988446 0.361592 K\n0.786640 0.213360 0.413269 K\n0.988446 0.011554 0.638408 K\n0.638295 0.361705 0.319410 K\n0.988446 0.011554 0.861592 K\n0.361705 0.638295 0.680590 K\n0.361705 0.638295 0.819410 K\n0.213360 0.786640 0.586731 K\n0.213360 0.786640 0.913269 K\n0.143214 0.244396 0.034944 Ga\n0.244396 0.143214 0.534944 Ga\n0.143214 0.244396 0.465056 Ga\n0.244396 0.143214 0.965056 Ga\n0.030729 0.370240 0.296646 Ga\n0.030729 0.370240 0.203354 Ga\n0.370240 0.030729 0.703354 Ga\n0.370240 0.030729 0.796646 Ga\n0.258304 0.316587 0.250000 Ga\n0.316587 0.258304 0.750000 Ga\n0.405455 0.187204 0.047526 Ga\n0.405455 0.187204 0.452474 Ga\n0.187204 0.405455 0.547526 Ga\n0.187204 0.405455 0.952474 Ga\n0.428058 0.571942 0.171631 Ga\n0.341525 0.658475 0.031095 Ga\n0.201284 0.798716 0.072157 Ga\n0.482582 0.517418 0.089354 Ga\n0.658475 0.341525 0.531095 Ga\n0.259333 0.740667 0.156129 Ga\n0.341525 0.658475 0.468905 Ga\n0.259333 0.740667 0.343871 Ga\n0.482582 0.517418 0.410646 Ga\n0.571942 0.428058 0.671631 Ga\n0.201284 0.798716 0.427843 Ga\n0.517418 0.482582 0.589354 Ga\n0.078822 0.921178 0.250000 Ga\n0.798716 0.201284 0.572157 Ga\n0.740667 0.259333 0.656129 Ga\n0.921178 0.078822 0.750000 Ga\n0.428058 0.571942 0.328369 Ga\n0.767883 0.232117 0.750000 Ga\n0.571942 0.428058 0.828369 Ga\n0.740667 0.259333 0.843871 Ga\n0.232117 0.767883 0.250000 Ga\n0.798716 0.201284 0.927843 Ga\n0.658475 0.341525 0.968905 Ga\n0.517418 0.482582 0.910646 Ga\n0.812796 0.594545 0.047526 Ga\n0.594545 0.812796 0.547526 Ga\n0.812796 0.594545 0.452474 Ga\n0.594545 0.812796 0.952474 Ga\n0.683413 0.741696 0.250000 Ga\n0.741696 0.683413 0.750000 Ga\n0.629760 0.969271 0.203354 Ga\n0.629760 0.969271 0.296646 Ga\n0.969271 0.629760 0.796646 Ga\n0.969271 0.629760 0.703354 Ga\n0.755604 0.856786 0.034944 Ga\n0.856786 0.755604 0.534944 Ga\n0.755604 0.856786 0.465056 Ga\n0.856786 0.755604 0.965056 Ga\n",
"nsites": 64,
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"elements": [
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],
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"density": 4.403086545133823,
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"volume": 1544.265547147858,
"volume_molar": 14.53091327459815,
"formula_full": "K12 Ga52",
"formula_reduced": "K3Ga13",
"formula_anonymous": "A3B13",
"energy": -180.75301799,
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"updated_at": "2021-11-28T01:35:57.997000Z",
"spacegroup": 63
},
{
"id": "mp-1350912",
"created_at": "2022-09-04T14:42:26.598022Z",
"structure_string": "Mn16 O32\n1.0\n2.997059 4.937170 0.000000\n-2.997059 4.937170 0.000000\n0.000000 4.751620 18.998807\nMn O\n16 32\ndirect\n0.237024 0.756373 0.126003 Mn\n0.502483 0.502483 0.255107 Mn\n0.756373 0.237024 0.126003 Mn\n0.309438 0.309438 0.529653 Mn\n0.749522 0.254171 0.378911 Mn\n0.179970 0.179970 0.227457 Mn\n0.812312 0.812312 0.773977 Mn\n0.254171 0.749522 0.378911 Mn\n0.253628 0.756138 0.623923 Mn\n0.696601 0.696601 0.471210 Mn\n0.756138 0.253628 0.623923 Mn\n0.255722 0.744672 0.869119 Mn\n0.744672 0.255722 0.869119 Mn\n0.197600 0.197600 0.720503 Mn\n0.005622 0.005622 0.998754 Mn\n0.685390 0.685390 0.975290 Mn\n0.675103 0.119167 0.056019 O\n0.901054 0.901054 0.176186 O\n0.119167 0.675103 0.056019 O\n0.106495 0.106495 0.072023 O\n0.390477 0.390477 0.182152 O\n0.172995 0.625879 0.311683 O\n0.382522 0.840100 0.193272 O\n0.397726 0.397726 0.435418 O\n0.625879 0.172995 0.311683 O\n0.598789 0.598789 0.073674 O\n0.605875 0.605875 0.325481 O\n0.840100 0.382522 0.193272 O\n0.615351 0.141932 0.561101 O\n0.888900 0.888900 0.428720 O\n0.872901 0.394517 0.440104 O\n0.898289 0.898289 0.678053 O\n0.141932 0.615351 0.561101 O\n0.108203 0.108203 0.329496 O\n0.118381 0.118381 0.571226 O\n0.394517 0.872901 0.440104 O\n0.391441 0.391441 0.676553 O\n0.108946 0.630698 0.809127 O\n0.367394 0.894684 0.687034 O\n0.400379 0.400379 0.914968 O\n0.630698 0.108946 0.809127 O\n0.610820 0.610820 0.568251 O\n0.617120 0.617120 0.820429 O\n0.894684 0.367394 0.687034 O\n0.894234 0.894234 0.927190 O\n0.877515 0.341971 0.938718 O\n0.105612 0.105612 0.814152 O\n0.341971 0.877515 0.938718 O\n",
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"elements": [
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