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{
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"results": [
{
"id": "mp-1227659",
"created_at": "2022-09-04T14:42:23.159076Z",
"structure_string": "Ca8 La4 Mn12 O36\n1.0\n5.435801 0.000000 0.000000\n0.000000 7.730363 0.000000\n0.000000 0.000000 16.365139\nCa La Mn O\n8 4 12 36\ndirect\n0.510829 0.750000 0.513507 Ca\n0.505037 0.750000 0.177892 Ca\n0.994963 0.750000 0.677892 Ca\n0.989171 0.750000 0.013507 Ca\n0.494963 0.250000 0.822108 Ca\n0.489171 0.250000 0.486493 Ca\n0.010829 0.250000 0.986493 Ca\n0.005037 0.250000 0.322108 Ca\n0.504257 0.750000 0.840719 La\n0.995743 0.750000 0.340719 La\n0.495743 0.250000 0.159281 La\n0.004257 0.250000 0.659281 La\n0.000765 0.001188 0.835195 Mn\n0.000000 0.000000 0.500000 Mn\n0.999235 0.998812 0.164805 Mn\n0.500000 0.500000 0.000000 Mn\n0.500765 0.501188 0.664805 Mn\n0.499235 0.498812 0.335195 Mn\n0.000765 0.498812 0.835195 Mn\n0.000000 0.500000 0.500000 Mn\n0.999235 0.501188 0.164805 Mn\n0.500000 0.000000 0.000000 Mn\n0.500765 0.998812 0.664805 Mn\n0.499235 0.001188 0.335195 Mn\n0.417988 0.750000 0.993635 O\n0.427131 0.750000 0.663562 O\n0.437754 0.750000 0.328276 O\n0.062246 0.750000 0.828276 O\n0.082012 0.750000 0.493635 O\n0.072869 0.750000 0.163562 O\n0.562246 0.250000 0.671724 O\n0.572869 0.250000 0.336438 O\n0.582012 0.250000 0.006365 O\n0.927131 0.250000 0.836438 O\n0.917988 0.250000 0.506365 O\n0.937754 0.250000 0.171724 O\n0.784712 0.956219 0.928575 O\n0.791750 0.960506 0.595926 O\n0.777048 0.967389 0.259882 O\n0.722952 0.532611 0.759882 O\n0.715288 0.543781 0.428575 O\n0.708250 0.539494 0.095926 O\n0.222952 0.467389 0.740118 O\n0.208250 0.460506 0.404074 O\n0.215288 0.456219 0.071425 O\n0.291750 0.039494 0.904074 O\n0.284712 0.043781 0.571425 O\n0.277048 0.032611 0.240118 O\n0.222952 0.032611 0.740118 O\n0.208250 0.039494 0.404074 O\n0.215288 0.043781 0.071425 O\n0.291750 0.460506 0.904074 O\n0.284712 0.456219 0.571425 O\n0.277048 0.467389 0.240118 O\n0.784712 0.543781 0.928575 O\n0.791750 0.539494 0.595926 O\n0.777048 0.532611 0.259882 O\n0.722952 0.967389 0.759882 O\n0.715288 0.956219 0.428575 O\n0.708250 0.960506 0.095926 O\n",
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],
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"volume": 687.6748406394861,
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"formula_full": "Ca8 La4 Mn12 O36",
"formula_reduced": "Ca2LaMn3O9",
"formula_anonymous": "AB2C3D9",
"energy": -485.07281451,
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"updated_at": "2021-11-28T01:35:43.601000Z",
"spacegroup": 62
},
{
"id": "mp-504414",
"created_at": "2022-09-04T14:46:42.640285Z",
"structure_string": "Mo8 P8 O40\n1.0\n6.482470 0.000000 0.000000\n0.000000 10.861946 0.000000\n0.000000 0.000000 13.053183\nMo P O\n8 8 40\ndirect\n0.025470 0.525139 0.118440 Mo\n0.250158 0.259501 0.240975 Mo\n0.750158 0.759501 0.259025 Mo\n0.525470 0.025139 0.381560 Mo\n0.474530 0.525139 0.618440 Mo\n0.249842 0.259501 0.740975 Mo\n0.749842 0.759501 0.759025 Mo\n0.974530 0.025139 0.881560 Mo\n0.841705 0.765696 0.005355 P\n0.526277 0.504795 0.181353 P\n0.026277 0.004795 0.318647 P\n0.341705 0.265696 0.494645 P\n0.658295 0.765696 0.505355 P\n0.973723 0.504795 0.681353 P\n0.473723 0.004795 0.818647 P\n0.158295 0.265696 0.994645 P\n0.951095 0.891411 0.988155 O\n0.006974 0.662787 0.015326 O\n0.299980 0.240240 0.087796 O\n0.714098 0.491121 0.109994 O\n0.710720 0.771518 0.103657 O\n0.336323 0.541482 0.115828 O\n0.065793 0.379675 0.217513 O\n0.069473 0.109865 0.239627 O\n0.978536 0.631128 0.222988 O\n0.484771 0.385733 0.242881 O\n0.984771 0.885733 0.257119 O\n0.478536 0.131128 0.277012 O\n0.569473 0.609865 0.260373 O\n0.565793 0.879675 0.282487 O\n0.836323 0.041482 0.384172 O\n0.210720 0.271518 0.396343 O\n0.214098 0.991121 0.390006 O\n0.799980 0.740240 0.412204 O\n0.506974 0.162787 0.484674 O\n0.451095 0.391411 0.511845 O\n0.548905 0.891411 0.488155 O\n0.493026 0.662787 0.515326 O\n0.200020 0.240240 0.587796 O\n0.785902 0.491121 0.609994 O\n0.789280 0.771518 0.603657 O\n0.163677 0.541482 0.615828 O\n0.434207 0.379675 0.717513 O\n0.430527 0.109865 0.739627 O\n0.521464 0.631128 0.722988 O\n0.015229 0.385733 0.742881 O\n0.515229 0.885733 0.757119 O\n0.021464 0.131128 0.777012 O\n0.930527 0.609865 0.760373 O\n0.934207 0.879675 0.782487 O\n0.663677 0.041482 0.884172 O\n0.289280 0.271518 0.896343 O\n0.285902 0.991121 0.890006 O\n0.700020 0.740240 0.912204 O\n0.993026 0.162787 0.984674 O\n0.048905 0.391411 0.011845 O\n",
"nsites": 56,
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"elements": [
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"P",
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],
"chemical_system": "Mo-O-P",
"density": 2.990594862618166,
"density_atomic": 0.060928915130718436,
"volume": 919.1038422374038,
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"formula_full": "Mo8 P8 O40",
"formula_reduced": "MoPO5",
"formula_anonymous": "ABC5",
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"updated_at": "2021-11-28T01:37:48.051000Z",
"spacegroup": 33
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{
"id": "mp-1226217",
"created_at": "2022-09-04T14:41:22.242264Z",
"structure_string": "Cr2 Co2 B2\n1.0\n0.000000 3.517551 3.701669\n2.093674 0.000000 3.701669\n2.093674 3.517551 0.000000\nCr Co B\n2 2 2\ndirect\n0.337905 0.662095 0.337905 Cr\n0.662095 0.337905 0.662095 Cr\n0.168048 0.168048 0.831952 Co\n0.831952 0.831952 0.168048 Co\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.415431075790152,
"density_atomic": 0.1100459870330993,
"volume": 54.522660587299185,
"volume_molar": 5.472385611106999,
"formula_full": "Cr2 Co2 B2",
"formula_reduced": "CrCoB",
"formula_anonymous": "ABC",
"energy": -48.50716879000001,
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"updated_at": "2021-11-28T01:35:20.083000Z",
"spacegroup": 69
},
{
"id": "mp-1367763",
"created_at": "2022-09-04T14:39:30.999175Z",
"structure_string": "Mg4 Mo2 W2 O12\n1.0\n5.343498 0.000000 -0.002667\n0.000000 5.427547 0.000000\n0.021323 0.000000 7.787217\nMg Mo W O\n4 2 2 12\ndirect\n0.009253 0.037033 0.252357 Mg\n0.490747 0.537034 0.247643 Mg\n0.990748 0.962968 0.747643 Mg\n0.509252 0.462967 0.752357 Mg\n0.500000 0.000000 0.000000 Mo\n0.000001 0.499999 0.500000 Mo\n0.500000 0.000000 0.499999 W\n0.000000 0.499999 0.000000 W\n0.658262 0.316569 0.426562 O\n0.841738 0.816570 0.073438 O\n0.341737 0.683431 0.573438 O\n0.158263 0.183430 0.926562 O\n0.181329 0.161646 0.565736 O\n0.318671 0.661645 0.934264 O\n0.818672 0.838354 0.434264 O\n0.681328 0.338355 0.065736 O\n0.128885 0.405894 0.241318 O\n0.371116 0.905895 0.258681 O\n0.628885 0.094105 0.741319 O\n0.871116 0.594106 0.758682 O\n",
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"formula_full": "Mg4 Mo2 W2 O12",
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"updated_at": "2021-11-28T01:34:26.539000Z",
"spacegroup": 14
},
{
"id": "mp-690556",
"created_at": "2022-09-04T14:45:17.187323Z",
"structure_string": "Ca2 La2 Mn2 Ru2 O12\n1.0\n5.558990 0.000000 -0.025136\n0.000000 5.716248 0.000000\n0.011592 0.000000 7.921449\nCa La Mn Ru O\n2 2 2 2 12\ndirect\n0.484636 0.555665 0.250358 Ca\n0.984636 0.944335 0.750358 Ca\n0.011441 0.046832 0.250735 La\n0.511441 0.453168 0.750735 La\n0.000370 0.501610 0.499487 Mn\n0.500370 0.998390 0.999487 Mn\n0.000164 0.500753 0.000804 Ru\n0.500164 0.999247 0.500804 Ru\n0.093839 0.533439 0.759612 O\n0.196264 0.785322 0.052854 O\n0.216564 0.798612 0.449822 O\n0.288876 0.305935 0.050888 O\n0.309562 0.286828 0.445884 O\n0.398284 0.030477 0.739555 O\n0.593839 0.966561 0.259612 O\n0.696264 0.714678 0.552854 O\n0.716564 0.701388 0.949822 O\n0.788876 0.194065 0.550888 O\n0.809562 0.213172 0.945884 O\n0.898284 0.469523 0.239555 O\n",
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"formula_full": "Ca2 La2 Mn2 Ru2 O12",
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{
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"structure_string": "Na2 V6 Fe6 O24\n1.0\n6.887571 0.000000 0.000000\n-1.719324 8.138683 0.000000\n-2.515712 -3.390755 9.102019\nNa V Fe O\n2 6 6 24\ndirect\n0.981092 0.029270 0.557587 Na\n0.453298 0.986992 0.461119 Na\n0.734582 0.170610 0.262894 V\n0.097129 0.783163 0.130061 V\n0.272587 0.833333 0.738769 V\n0.906792 0.213749 0.876374 V\n0.387429 0.409770 0.670063 V\n0.613847 0.588979 0.330707 V\n0.881955 0.444145 0.605513 Fe\n0.458193 0.291599 0.981696 Fe\n0.121845 0.554551 0.397044 Fe\n0.776107 0.765218 0.798173 Fe\n0.230475 0.231274 0.206784 Fe\n0.547821 0.707582 0.019407 Fe\n0.694338 0.958186 0.174836 O\n0.311805 0.051996 0.823908 O\n0.986536 0.287195 0.261595 O\n0.371546 0.476594 0.349060 O\n0.631224 0.523016 0.660087 O\n0.832962 0.528253 0.413795 O\n0.493268 0.776612 0.825980 O\n0.413573 0.437107 0.856312 O\n0.181354 0.478153 0.578301 O\n0.197114 0.011061 0.235005 O\n0.160196 0.260944 0.015437 O\n0.082697 0.670055 0.251359 O\n0.822728 0.988651 0.772117 O\n0.509858 0.227549 0.169503 O\n0.328289 0.196014 0.579536 O\n0.727205 0.270558 0.958339 O\n0.249727 0.801154 0.554929 O\n0.577398 0.546685 0.142893 O\n0.745555 0.192329 0.441685 O\n0.853665 0.742867 0.988774 O\n0.934608 0.314611 0.754689 O\n0.025414 0.720394 0.742942 O\n0.267059 0.729837 0.045670 O\n0.662119 0.802319 0.418097 O\n",
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"formula_full": "Na2 V6 Fe6 O24",
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"energy": -307.2096672,
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{
"id": "mp-1246015",
"created_at": "2022-09-04T14:46:04.818283Z",
"structure_string": "Pb2 C14 N20\n1.0\n5.873102 0.000000 -0.018815\n0.000000 5.706452 0.000000\n-2.288650 0.000000 7.856373\nPb C N\n2 14 20\ndirect\n0.963216 0.108721 0.674635 Pb\n0.963216 0.891279 0.174635 Pb\n0.539350 0.974723 0.827287 C\n0.539350 0.025277 0.327286 C\n0.360196 0.029305 0.021024 C\n0.360196 0.970695 0.521024 C\n0.110519 0.390611 0.073673 C\n0.110519 0.609389 0.573673 C\n0.662808 0.367535 0.989364 C\n0.662808 0.632465 0.489364 C\n0.840635 0.629191 0.808801 C\n0.840635 0.370809 0.308801 C\n0.297041 0.621466 0.886311 C\n0.297041 0.378534 0.386311 C\n0.483403 0.377202 0.686381 C\n0.483403 0.622798 0.186381 C\n0.747448 0.844450 0.834356 N\n0.747448 0.155550 0.334356 N\n0.571683 0.128075 0.977244 N\n0.571683 0.871925 0.477244 N\n0.320282 0.873439 0.868315 N\n0.320282 0.126561 0.368315 N\n0.156552 0.167680 0.013434 N\n0.156552 0.832320 0.513434 N\n0.285419 0.505283 0.725499 N\n0.285419 0.494717 0.225499 N\n0.442675 0.116994 0.675143 N\n0.442675 0.883006 0.175143 N\n0.882472 0.397200 0.124229 N\n0.882472 0.602800 0.624229 N\n0.079731 0.587809 0.939219 N\n0.079731 0.412191 0.439219 N\n0.702193 0.413917 0.822217 N\n0.702193 0.586083 0.322217 N\n0.496677 0.539403 0.022171 N\n0.496677 0.460597 0.522171 N\n",
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"formula_full": "Pb2 C14 N20",
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{
"id": "mp-1226374",
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"structure_string": "Cr2 Bi2 W2 O12\n1.0\n-3.577021 3.645312 5.088140\n3.577021 -3.645312 5.088140\n3.577021 3.645312 -5.088140\nCr Bi W O\n2 2 2 12\ndirect\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.074821 0.824821 0.250000 O\n0.686641 0.436641 0.250000 O\n0.056041 0.819433 0.633420 O\n0.686013 0.422621 0.866580 O\n0.686013 0.819433 0.263392 O\n0.056041 0.422621 0.236608 O\n0.925179 0.175179 0.750000 O\n0.313359 0.563359 0.750000 O\n0.943959 0.180567 0.366580 O\n0.313987 0.577379 0.133420 O\n0.313987 0.180567 0.736608 O\n0.943959 0.577379 0.763392 O\n",
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"formula_full": "Cr2 Bi2 W2 O12",
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{
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{
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{
"id": "mp-1213518",
"created_at": "2022-09-04T14:44:55.198546Z",
"structure_string": "Cs2 Si4 Mo6 P12 O50\n1.0\n4.227995 -7.323102 0.000000\n4.227995 7.323102 0.000000\n0.000000 0.000000 18.192954\nCs Si Mo P O\n2 4 6 12 50\ndirect\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.587810 Si\n0.000000 0.000000 0.412190 Si\n0.000000 0.000000 0.912190 Si\n0.000000 0.000000 0.087810 Si\n0.666667 0.333333 0.521120 Mo\n0.333333 0.666667 0.478880 Mo\n0.666667 0.333333 0.978880 Mo\n0.333333 0.666667 0.021120 Mo\n0.333333 0.666667 0.750000 Mo\n0.666667 0.333333 0.250000 Mo\n0.329636 0.378332 0.609172 P\n0.670364 0.621668 0.390828 P\n0.621668 0.951304 0.609172 P\n0.329636 0.951304 0.890828 P\n0.378332 0.048696 0.390828 P\n0.670364 0.048696 0.109172 P\n0.048696 0.670364 0.609172 P\n0.621668 0.670364 0.890828 P\n0.951304 0.329636 0.390828 P\n0.378332 0.329636 0.109172 P\n0.048696 0.378332 0.890828 P\n0.951304 0.621668 0.109172 P\n0.253172 0.443072 0.546407 O\n0.746828 0.556928 0.453593 O\n0.556928 0.810100 0.546407 O\n0.253172 0.810100 0.953593 O\n0.443072 0.189900 0.453593 O\n0.746828 0.189900 0.046407 O\n0.189900 0.746828 0.546407 O\n0.556928 0.746828 0.953593 O\n0.810100 0.253172 0.453593 O\n0.443072 0.253172 0.046407 O\n0.189900 0.443072 0.953593 O\n0.810100 0.556928 0.046407 O\n0.337809 0.460692 0.683697 O\n0.662191 0.539308 0.316303 O\n0.539308 0.877117 0.683697 O\n0.337809 0.877117 0.816303 O\n0.460692 0.122883 0.316303 O\n0.662191 0.122883 0.183697 O\n0.122883 0.662191 0.683697 O\n0.539308 0.662191 0.816303 O\n0.877117 0.337809 0.316303 O\n0.460692 0.337809 0.183697 O\n0.122883 0.460692 0.816303 O\n0.877117 0.539308 0.183697 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.597675 0.115329 0.589718 O\n0.402325 0.884671 0.410282 O\n0.884671 0.482346 0.589718 O\n0.597675 0.482346 0.910282 O\n0.115329 0.517654 0.410282 O\n0.402325 0.517654 0.089718 O\n0.517654 0.402325 0.589718 O\n0.884671 0.402325 0.910282 O\n0.482346 0.597675 0.410282 O\n0.115329 0.597675 0.089718 O\n0.517654 0.115329 0.910282 O\n0.482346 0.884671 0.089718 O\n0.835610 0.028541 0.619172 O\n0.164390 0.971459 0.380828 O\n0.971459 0.807069 0.619172 O\n0.835610 0.807069 0.880828 O\n0.028541 0.192931 0.380828 O\n0.164390 0.192931 0.119172 O\n0.192931 0.164390 0.619172 O\n0.971459 0.164390 0.880828 O\n0.807069 0.835610 0.380828 O\n0.028541 0.835610 0.119172 O\n0.192931 0.028541 0.880828 O\n0.807069 0.971459 0.119172 O\n",
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"formula_full": "Cs2 Si4 Mo6 P12 O50",
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{
"id": "mp-850998",
"created_at": "2022-09-04T14:39:43.734190Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.299488 0.000000 0.000000\n-2.334835 5.355215 0.000000\n-0.240928 -1.868260 13.188155\nLi Mn B O\n4 6 6 18\ndirect\n0.748308 0.806640 0.143388 Li\n0.251692 0.193360 0.856612 Li\n0.404135 0.166901 0.478881 Li\n0.595865 0.833099 0.521119 Li\n0.228188 0.780445 0.033711 Mn\n0.771812 0.219555 0.966289 Mn\n0.434448 0.536815 0.292867 Mn\n0.885126 0.116738 0.362603 Mn\n0.565552 0.463185 0.707133 Mn\n0.114874 0.883262 0.637397 Mn\n0.014776 0.672795 0.413389 B\n0.656254 0.668279 0.927106 B\n0.343746 0.331721 0.072894 B\n0.985224 0.327205 0.586611 B\n0.674906 0.003381 0.747891 B\n0.325094 0.996619 0.252109 B\n0.782899 0.729154 0.403435 O\n0.863628 0.587399 0.945595 O\n0.639736 0.854051 0.003119 O\n0.217181 0.798374 0.491142 O\n0.462311 0.557224 0.848820 O\n0.050558 0.496129 0.342064 O\n0.136372 0.412601 0.054405 O\n0.949442 0.503871 0.657936 O\n0.537689 0.442776 0.151180 O\n0.782819 0.201626 0.508858 O\n0.360264 0.145949 0.996881 O\n0.217101 0.270846 0.596565 O\n0.305303 0.167109 0.333181 O\n0.866028 0.088963 0.827977 O\n0.133972 0.911037 0.172023 O\n0.694697 0.832891 0.666819 O\n0.458290 0.083427 0.741317 O\n0.541710 0.916573 0.258683 O\n",
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}
]
}