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{
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"results": [
{
"id": "mp-1213058",
"created_at": "2022-09-04T14:45:58.941460Z",
"structure_string": "Er4 Mn34 C6\n1.0\n4.239223 -7.342550 0.000000\n4.239223 7.342550 0.000000\n0.000000 0.000000 8.267816\nEr Mn C\n4 34 6\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.389553 0.060585 0.250000 Mn\n0.610447 0.939415 0.750000 Mn\n0.939415 0.328969 0.250000 Mn\n0.060585 0.389553 0.750000 Mn\n0.060585 0.671031 0.750000 Mn\n0.939415 0.610447 0.250000 Mn\n0.671031 0.610447 0.250000 Mn\n0.328969 0.939415 0.750000 Mn\n0.328969 0.389553 0.750000 Mn\n0.671031 0.060585 0.250000 Mn\n0.610447 0.671031 0.750000 Mn\n0.389553 0.328969 0.250000 Mn\n0.333333 0.666667 0.608865 Mn\n0.666667 0.333333 0.391135 Mn\n0.666667 0.333333 0.108865 Mn\n0.333333 0.666667 0.891135 Mn\n0.170340 0.340680 0.025567 Mn\n0.829660 0.659320 0.974433 Mn\n0.659320 0.829660 0.025567 Mn\n0.829660 0.659320 0.525567 Mn\n0.340680 0.170340 0.974433 Mn\n0.170340 0.340680 0.474433 Mn\n0.170340 0.829660 0.025567 Mn\n0.340680 0.170340 0.525567 Mn\n0.829660 0.170340 0.974433 Mn\n0.659320 0.829660 0.474433 Mn\n0.829660 0.170340 0.525567 Mn\n0.170340 0.829660 0.474433 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.164624 0.329249 0.250000 C\n0.835376 0.670751 0.750000 C\n0.670751 0.835376 0.250000 C\n0.329249 0.164624 0.750000 C\n0.164624 0.835376 0.250000 C\n0.835376 0.164624 0.750000 C\n",
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"volume": 514.6997696557997,
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"formula_full": "Er4 Mn34 C6",
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"spacegroup": 194
},
{
"id": "mp-1203380",
"created_at": "2022-09-04T14:45:58.961446Z",
"structure_string": "Li8 B8 P16 Pb32 O88\n1.0\n6.647823 0.000000 0.000000\n0.000000 12.802064 0.000000\n0.000000 0.000000 25.794047\nLi B P Pb O\n8 8 16 32 88\ndirect\n0.472401 0.244174 0.373281 Li\n0.027599 0.744174 0.626719 Li\n0.972401 0.755826 0.126719 Li\n0.527599 0.255826 0.873281 Li\n0.527599 0.755826 0.626719 Li\n0.972401 0.255826 0.373281 Li\n0.027599 0.244174 0.873281 Li\n0.472401 0.744174 0.126719 Li\n0.530186 0.241559 0.620904 B\n0.969814 0.741559 0.379096 B\n0.030186 0.758441 0.879096 B\n0.469814 0.258441 0.120904 B\n0.469814 0.758441 0.379096 B\n0.030186 0.258441 0.620904 B\n0.969814 0.241559 0.120904 B\n0.530186 0.741559 0.879096 B\n0.714618 0.381542 0.296996 P\n0.785382 0.881542 0.703004 P\n0.214618 0.618458 0.203004 P\n0.285382 0.118458 0.796996 P\n0.285382 0.618458 0.703004 P\n0.214618 0.118458 0.296996 P\n0.785382 0.381542 0.796996 P\n0.714618 0.881542 0.203004 P\n0.216170 0.407428 0.444950 P\n0.283830 0.907428 0.555050 P\n0.716170 0.592572 0.055050 P\n0.783830 0.092572 0.944950 P\n0.783830 0.592572 0.555050 P\n0.716170 0.092572 0.444950 P\n0.283830 0.407428 0.944950 P\n0.216170 0.907428 0.055050 P\n0.291040 0.180282 0.509538 Pb\n0.208960 0.680282 0.490462 Pb\n0.791040 0.819718 0.990462 Pb\n0.708960 0.319718 0.009538 Pb\n0.708960 0.819718 0.490462 Pb\n0.791040 0.319718 0.509538 Pb\n0.208960 0.180282 0.009538 Pb\n0.291040 0.680282 0.990462 Pb\n0.304954 0.031903 0.668275 Pb\n0.195046 0.531903 0.331725 Pb\n0.804954 0.968097 0.831725 Pb\n0.695046 0.468097 0.168275 Pb\n0.695046 0.968097 0.331725 Pb\n0.804954 0.468097 0.668275 Pb\n0.195046 0.031903 0.168275 Pb\n0.304954 0.531903 0.831725 Pb\n0.692923 0.162411 0.221936 Pb\n0.807077 0.662411 0.778064 Pb\n0.192923 0.837589 0.278064 Pb\n0.307077 0.337589 0.721936 Pb\n0.307077 0.837589 0.778064 Pb\n0.192923 0.337589 0.221936 Pb\n0.807077 0.162411 0.721936 Pb\n0.692923 0.662411 0.278064 Pb\n0.692566 0.534943 0.416138 Pb\n0.807434 0.034943 0.583862 Pb\n0.192566 0.465057 0.083862 Pb\n0.307434 0.965057 0.916138 Pb\n0.307434 0.465057 0.583862 Pb\n0.192566 0.965057 0.416138 Pb\n0.807434 0.534943 0.916138 Pb\n0.692566 0.034943 0.083862 Pb\n0.298707 0.521632 0.439818 O\n0.201293 0.021632 0.560182 O\n0.798707 0.478368 0.060182 O\n0.701293 0.978368 0.939818 O\n0.701293 0.478368 0.560182 O\n0.798707 0.978368 0.439818 O\n0.201293 0.521632 0.939818 O\n0.298707 0.021632 0.060182 O\n0.607271 0.476262 0.323850 O\n0.892729 0.976262 0.676150 O\n0.107271 0.523738 0.176150 O\n0.392729 0.023738 0.823850 O\n0.392729 0.523738 0.676150 O\n0.107271 0.023738 0.323850 O\n0.892729 0.476262 0.823850 O\n0.607271 0.976262 0.176150 O\n0.597478 0.352045 0.245702 O\n0.902522 0.852045 0.754298 O\n0.097478 0.647955 0.254298 O\n0.402522 0.147955 0.745702 O\n0.402522 0.647955 0.754298 O\n0.097478 0.147955 0.245702 O\n0.902522 0.352045 0.745702 O\n0.597478 0.852045 0.254298 O\n0.928663 0.418386 0.280156 O\n0.571337 0.918386 0.719844 O\n0.428663 0.581614 0.219844 O\n0.071337 0.081614 0.780156 O\n0.071337 0.581614 0.719844 O\n0.428663 0.081614 0.280156 O\n0.571337 0.418386 0.780156 O\n0.928663 0.918386 0.219844 O\n0.136050 0.387977 0.502005 O\n0.363950 0.887977 0.497995 O\n0.636050 0.612023 0.997995 O\n0.863950 0.112023 0.002005 O\n0.863950 0.612023 0.497995 O\n0.636050 0.112023 0.502005 O\n0.363950 0.387977 0.002005 O\n0.136050 0.887977 0.997995 O\n0.037256 0.394562 0.406879 O\n0.462744 0.894562 0.593121 O\n0.537256 0.605438 0.093121 O\n0.962744 0.105438 0.906879 O\n0.962744 0.605438 0.593121 O\n0.537256 0.105438 0.406879 O\n0.462744 0.394562 0.906879 O\n0.037256 0.894562 0.093121 O\n0.447444 0.279594 0.574931 O\n0.052556 0.779594 0.425069 O\n0.947444 0.720406 0.925069 O\n0.552556 0.220406 0.074931 O\n0.552556 0.720406 0.425069 O\n0.947444 0.220406 0.574931 O\n0.052556 0.279594 0.074931 O\n0.447444 0.779594 0.925069 O\n0.719808 0.285321 0.332816 O\n0.780192 0.785321 0.667184 O\n0.219808 0.714679 0.167184 O\n0.280192 0.214679 0.832816 O\n0.280192 0.714679 0.667184 O\n0.219808 0.214679 0.332816 O\n0.780192 0.285321 0.832816 O\n0.719808 0.785321 0.167184 O\n0.563541 0.135088 0.629148 O\n0.936459 0.635088 0.370852 O\n0.063541 0.864912 0.870852 O\n0.436459 0.364912 0.129148 O\n0.436459 0.864912 0.370852 O\n0.063541 0.364912 0.629148 O\n0.936459 0.135088 0.129148 O\n0.563541 0.635088 0.870852 O\n0.077261 0.189881 0.660568 O\n0.422739 0.689881 0.339432 O\n0.577261 0.810119 0.839432 O\n0.922739 0.310119 0.160568 O\n0.922739 0.810119 0.339432 O\n0.577261 0.310119 0.660568 O\n0.422739 0.189881 0.160568 O\n0.077261 0.689881 0.839432 O\n0.389650 0.329459 0.435063 O\n0.110350 0.829459 0.564937 O\n0.889650 0.670541 0.064937 O\n0.610350 0.170541 0.935063 O\n0.610350 0.670541 0.564937 O\n0.889650 0.170541 0.435063 O\n0.110350 0.329459 0.935063 O\n0.389650 0.829459 0.064937 O\n",
"nsites": 152,
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"elements": [
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"B",
"P",
"Pb",
"O"
],
"chemical_system": "B-Li-O-P-Pb",
"density": 6.562765382785551,
"density_atomic": 0.06924121171576295,
"volume": 2195.2244369143064,
"volume_molar": 8.697335894006377,
"formula_full": "Li8 B8 P16 Pb32 O88",
"formula_reduced": "LiBP2Pb4O11",
"formula_anonymous": "ABC2D4E11",
"energy": -1065.32352609,
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"band_gap": 2.5899,
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"updated_at": "2021-11-28T01:37:15.814000Z",
"spacegroup": 61
},
{
"id": "mp-961651",
"created_at": "2022-09-04T14:45:58.967872Z",
"structure_string": "Zr1 Fe1 Se1\n1.0\n0.000000 2.925500 2.925500\n2.925500 0.000000 2.925500\n2.925500 2.925500 0.000000\nZr Fe Se\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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],
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"density": 7.495195377253093,
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"volume": 50.07607751275,
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"formula_full": "Zr1 Fe1 Se1",
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"updated_at": "2021-11-28T01:37:17.772000Z",
"spacegroup": 216
},
{
"id": "mp-1283089",
"created_at": "2022-09-04T14:45:58.969806Z",
"structure_string": "Sr4 La4 Co4 O16\n1.0\n-1.936441 -1.926404 6.385877\n0.003137 7.702257 -0.000041\n-7.740264 3.847973 0.000209\nSr La Co O\n4 4 4 16\ndirect\n0.286410 0.732767 0.177547 Sr\n0.285163 0.231883 0.179106 Sr\n0.283055 0.483683 0.678774 Sr\n0.284713 0.979038 0.679696 Sr\n0.716413 0.271742 0.819895 La\n0.717595 0.766503 0.821020 La\n0.713345 0.017516 0.321541 La\n0.712589 0.516891 0.322614 La\n0.007710 0.002430 0.999353 Co\n0.007954 0.253537 0.496714 Co\n0.008232 0.501627 0.000533 Co\n0.008740 0.754668 0.495202 Co\n0.669068 0.875818 0.082028 O\n0.664956 0.370271 0.092856 O\n0.664032 0.628521 0.574822 O\n0.668298 0.125228 0.583754 O\n0.347506 0.132522 0.911144 O\n0.349187 0.629093 0.914064 O\n0.346788 0.880627 0.411944 O\n0.345040 0.378316 0.415789 O\n0.991635 0.121759 0.752166 O\n0.975298 0.615640 0.756136 O\n0.992251 0.876493 0.242941 O\n0.991907 0.367652 0.260953 O\n0.989750 0.252207 0.003980 O\n0.991828 0.739265 0.003690 O\n0.990537 0.990372 0.501013 O\n0.990003 0.503930 0.500729 O\n",
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{
"id": "mp-1103961",
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"structure_string": "Yb4 Ge2 Se8\n1.0\n-6.796990 -0.099403 0.000000\n0.000000 0.000000 -7.052835\n2.536824 -7.616381 0.000000\nYb Ge Se\n4 2 8\ndirect\n0.273683 0.750000 0.945362 Yb\n0.726317 0.250000 0.054638 Yb\n0.266421 0.750000 0.438995 Yb\n0.733579 0.250000 0.561005 Yb\n0.737542 0.750000 0.805412 Ge\n0.262458 0.250000 0.194588 Ge\n0.931076 0.750000 0.102746 Se\n0.068924 0.250000 0.897254 Se\n0.936779 0.750000 0.612310 Se\n0.063221 0.250000 0.387690 Se\n0.496145 0.495890 0.743814 Se\n0.503855 0.995890 0.256186 Se\n0.503855 0.504110 0.256186 Se\n0.496145 0.004110 0.743814 Se\n",
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],
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"density": 6.649163450025862,
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"volume": 366.89294403101235,
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"formula_full": "Yb4 Ge2 Se8",
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"spacegroup": 11
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{
"id": "mp-754766",
"created_at": "2022-09-04T14:45:59.227967Z",
"structure_string": "Li1 V1 F4\n1.0\n1.562670 5.257214 0.000000\n-1.562670 5.257214 0.000000\n0.000000 2.674162 4.805040\nLi V F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.615442 0.615442 0.024149 F\n0.908492 0.908492 0.398587 F\n0.384558 0.384558 0.975851 F\n0.091508 0.091508 0.601413 F\n",
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{
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"created_at": "2022-09-04T14:45:58.976213Z",
"structure_string": "Y6 Ga8 Cu4\n1.0\n2.145195 -3.715587 0.000000\n2.145195 3.715587 0.000000\n0.000000 0.000000 22.292607\nY Ga Cu\n6 8 4\ndirect\n0.333333 0.666667 0.256434 Y\n0.333333 0.666667 0.589083 Y\n0.333333 0.666667 0.921999 Y\n0.333333 0.666667 0.078967 Y\n0.333333 0.666667 0.412682 Y\n0.333333 0.666667 0.744950 Y\n0.000000 0.000000 0.338407 Ga\n0.000000 0.000000 0.671141 Ga\n0.000000 0.000000 0.154576 Ga\n0.000000 0.000000 0.487278 Ga\n0.000000 0.000000 0.819420 Ga\n0.666667 0.333333 0.181416 Ga\n0.666667 0.333333 0.513592 Ga\n0.666667 0.333333 0.845444 Ga\n0.666667 0.333333 0.326409 Cu\n0.666667 0.333333 0.658626 Cu\n0.666667 0.333333 0.994750 Cu\n0.000000 0.000000 0.004823 Cu\n",
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"elements": [
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],
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"formula_full": "Y6 Ga8 Cu4",
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{
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}