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"results": [
{
"id": "mp-772954",
"created_at": "2022-09-04T14:40:32.574042Z",
"structure_string": "La15 Mn16 O48\n1.0\n5.531288 0.000000 0.000000\n2.583015 12.143084 0.000000\n2.704772 0.620041 14.516812\nLa Mn O\n15 16 48\ndirect\n0.972031 0.214668 0.846446 La\n0.779931 0.542044 0.908444 La\n0.905113 0.656849 0.532158 La\n0.717840 0.968226 0.596240 La\n0.842150 0.093082 0.216697 La\n0.530995 0.281323 0.658474 La\n0.657251 0.406911 0.279571 La\n0.470859 0.720724 0.337411 La\n0.336878 0.597585 0.723494 La\n0.151739 0.902541 0.793605 La\n0.281181 0.030718 0.404769 La\n0.408246 0.144784 0.028179 La\n0.222851 0.468466 0.091591 La\n0.093504 0.343976 0.468931 La\n0.035545 0.784583 0.144371 La\n0.936063 0.437522 0.687972 Mn\n0.875199 0.875377 0.374538 Mn\n0.749841 0.750656 0.752298 Mn\n0.813097 0.312351 0.062115 Mn\n0.561201 0.060702 0.814254 Mn\n0.686920 0.187580 0.437696 Mn\n0.376460 0.375016 0.875464 Mn\n0.621853 0.627850 0.123775 Mn\n0.499243 0.500760 0.500078 Mn\n0.187496 0.690828 0.938049 Mn\n0.442024 0.935443 0.185357 Mn\n0.311817 0.813127 0.562753 Mn\n0.125998 0.123563 0.625578 Mn\n0.249693 0.249960 0.249226 Mn\n0.062717 0.562453 0.311866 Mn\n0.000340 0.996623 0.999028 Mn\n0.951650 0.722651 0.849593 O\n0.960218 0.711067 0.368850 O\n0.834533 0.585410 0.741047 O\n0.664684 0.914661 0.756124 O\n0.830363 0.029968 0.888356 O\n0.957119 0.139415 0.514709 O\n0.696728 0.380440 0.788028 O\n0.946026 0.630368 0.039194 O\n0.822498 0.505910 0.414422 O\n0.580118 0.766360 0.638273 O\n0.706052 0.891306 0.265129 O\n0.928587 0.244868 0.335986 O\n0.803474 0.118069 0.708871 O\n0.668910 0.485627 0.609890 O\n0.546211 0.358507 0.984668 O\n0.794521 0.605232 0.234593 O\n0.430104 0.731871 0.828253 O\n0.687687 0.999618 0.096132 O\n0.553297 0.868682 0.460317 O\n0.788223 0.039673 0.382207 O\n0.909716 0.166137 0.010597 O\n0.461579 0.212793 0.866183 O\n0.715593 0.458392 0.117519 O\n0.584476 0.335724 0.494351 O\n0.415168 0.664542 0.504946 O\n0.292139 0.536937 0.884955 O\n0.533711 0.784215 0.148102 O\n0.087526 0.836956 0.987425 O\n0.209065 0.960261 0.621572 O\n0.444757 0.130934 0.540087 O\n0.572565 0.259215 0.166244 O\n0.295304 0.024233 0.910284 O\n0.206643 0.391240 0.764700 O\n0.330628 0.514039 0.389359 O\n0.439508 0.627892 0.022041 O\n0.066857 0.756761 0.661676 O\n0.197132 0.886164 0.290856 O\n0.418315 0.235028 0.360333 O\n0.300410 0.112130 0.732837 O\n0.050548 0.369991 0.960248 O\n0.175928 0.492557 0.583939 O\n0.302086 0.616520 0.210626 O\n0.046240 0.861047 0.485749 O\n0.171391 0.986014 0.110310 O\n0.332658 0.086732 0.243946 O\n0.165529 0.412447 0.256803 O\n0.039861 0.288850 0.631138 O\n0.083034 0.262342 0.139190 O\n",
"nsites": 79,
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"elements": [
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],
"chemical_system": "La-Mn-O",
"density": 6.353262983364264,
"density_atomic": 0.08102155383208352,
"volume": 975.0491846123665,
"volume_molar": 7.432763845137845,
"formula_full": "La15 Mn16 O48",
"formula_reduced": "La15Mn16O48",
"formula_anonymous": "A15B16C48",
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"updated_at": "2021-11-28T01:34:55.364000Z",
"spacegroup": 1
},
{
"id": "mp-1216864",
"created_at": "2022-09-04T14:40:32.674370Z",
"structure_string": "V4 P2 H16 N4 O16\n1.0\n0.015263 -0.020637 5.755903\n8.731142 0.000355 0.022108\n0.000356 8.720597 -0.029554\nV P H N O\n4 2 16 4 16\ndirect\n0.004781 0.008489 0.995868 V\n0.008454 0.490620 0.495421 V\n0.009496 0.871143 0.371523 V\n0.009509 0.628208 0.870761 V\n0.016721 0.135198 0.635876 P\n0.016666 0.363360 0.134561 P\n0.567043 0.566839 0.216918 H\n0.558596 0.428365 0.781881 H\n0.562153 0.784877 0.568903 H\n0.563211 0.219565 0.430557 H\n0.437323 0.739961 0.245878 H\n0.427677 0.255625 0.754930 H\n0.437661 0.757263 0.741927 H\n0.427087 0.247948 0.257306 H\n0.432538 0.653875 0.067949 H\n0.428849 0.342673 0.932763 H\n0.427581 0.935257 0.655270 H\n0.433460 0.070493 0.343911 H\n0.679635 0.727698 0.140862 H\n0.676715 0.269376 0.857734 H\n0.678961 0.862810 0.728336 H\n0.677113 0.145776 0.269569 H\n0.528737 0.670973 0.167837 N\n0.522441 0.324910 0.832243 N\n0.526043 0.835487 0.672444 N\n0.524948 0.170940 0.326220 N\n0.300284 0.867889 0.363479 O\n0.280243 0.127635 0.637047 O\n0.300365 0.635816 0.868762 O\n0.280161 0.362913 0.129369 O\n0.292072 0.496001 0.498571 O\n0.917535 0.009341 0.518743 O\n0.917636 0.489163 0.016583 O\n0.897472 0.693577 0.417503 O\n0.910525 0.288212 0.580366 O\n0.896313 0.570467 0.696493 O\n0.911057 0.407975 0.290829 O\n0.287741 0.002932 0.998737 O\n0.892032 0.926428 0.195968 O\n0.904626 0.095750 0.792382 O\n0.893502 0.807545 0.914046 O\n0.903433 0.210627 0.083675 O\n",
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"elements": [
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"H",
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],
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"volume_molar": 6.283826030416585,
"formula_full": "V4 P2 H16 N4 O16",
"formula_reduced": "V2PH8(NO4)2",
"formula_anonymous": "AB2C2D8E8",
"energy": -281.1614292,
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"spacegroup": 1
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{
"id": "mp-1046270",
"created_at": "2022-09-04T14:40:32.885774Z",
"structure_string": "Zn1 Sb4 O8\n1.0\n3.255966 0.000000 0.000000\n0.800992 8.367157 0.000000\n1.102319 3.812686 8.557708\nZn Sb O\n1 4 8\ndirect\n0.433039 0.381120 0.825259 Zn\n0.629981 0.694162 0.485518 Sb\n0.051170 0.794483 0.811824 Sb\n0.862640 0.306184 0.130213 Sb\n0.249090 0.338136 0.471469 Sb\n0.785213 0.389385 0.306820 O\n0.364742 0.154229 0.233818 O\n0.555006 0.927679 0.689502 O\n0.134725 0.643117 0.688359 O\n0.201168 0.610313 0.381736 O\n0.930634 0.259915 0.938040 O\n0.665534 0.423835 0.604435 O\n0.359464 0.476871 0.024216 O\n",
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"elements": [
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"Sb",
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],
"chemical_system": "O-Sb-Zn",
"density": 4.846479399364903,
"density_atomic": 0.05576068616141097,
"volume": 233.13916838054647,
"volume_molar": 10.799976066592246,
"formula_full": "Zn1 Sb4 O8",
"formula_reduced": "Zn(SbO2)4",
"formula_anonymous": "AB4C8",
"energy": -79.1607392,
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{
"id": "mp-849603",
"created_at": "2022-09-04T14:40:32.823504Z",
"structure_string": "Li3 Fe9 O5 F11\n1.0\n6.270036 0.000000 0.000000\n3.104582 5.467220 0.000000\n3.132548 1.809383 10.073066\nLi Fe O F\n3 9 5 11\ndirect\n0.927309 0.945240 0.687740 Li\n0.942809 0.445095 0.194464 Li\n0.444016 0.937637 0.197796 Li\n0.687439 0.702459 0.926618 Fe\n0.983554 0.990907 0.027139 Fe\n0.439642 0.943164 0.692225 Fe\n0.932355 0.446217 0.688394 Fe\n0.863806 0.866452 0.354315 Fe\n0.432727 0.351154 0.859331 Fe\n0.477539 0.474004 0.509303 Fe\n0.423467 0.429028 0.199071 Fe\n0.200180 0.204587 0.425305 Fe\n0.592247 0.573012 0.799506 O\n0.583756 0.030256 0.805511 O\n0.269612 0.299358 0.574054 O\n0.071916 0.552096 0.297949 O\n0.549685 0.080005 0.296334 O\n0.827557 0.823507 0.565451 F\n0.821567 0.300327 0.562193 F\n0.301644 0.828933 0.570368 F\n0.063956 0.574695 0.811271 F\n0.794040 0.789013 0.070810 F\n0.563827 0.569666 0.307377 F\n0.050679 0.062392 0.822433 F\n0.797782 0.344808 0.060937 F\n0.331921 0.796003 0.070912 F\n0.076994 0.078236 0.308277 F\n0.297977 0.311747 0.064916 F\n",
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"density": 3.906831879100561,
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"volume": 345.30134029122473,
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"formula_full": "Li3 Fe9 O5 F11",
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{
"id": "mp-867682",
"created_at": "2022-09-04T14:40:33.070384Z",
"structure_string": "Li2 V2 Cr2 P4 O16 F4\n1.0\n4.424348 5.312308 0.051949\n-5.884107 5.293871 -0.013372\n-2.063204 -2.792536 6.462034\nLi V Cr P O F\n2 2 2 4 16 4\ndirect\n0.747328 0.821055 0.180224 Li\n0.247350 0.321033 0.180267 Li\n0.496816 0.499666 0.993835 V\n0.997062 0.999768 0.994103 V\n0.002555 0.498246 0.502510 Cr\n0.502753 0.998109 0.502589 Cr\n0.275556 0.841792 0.756008 P\n0.775647 0.341751 0.756092 P\n0.724299 0.162531 0.243698 P\n0.224284 0.662510 0.243689 P\n0.195494 0.932953 0.907291 O\n0.695448 0.432875 0.907260 O\n0.588104 0.235485 0.597412 O\n0.087919 0.735640 0.597232 O\n0.342114 0.982917 0.664509 O\n0.842062 0.482885 0.664520 O\n0.518133 0.276898 0.125325 O\n0.018154 0.776910 0.125306 O\n0.478763 0.732477 0.901964 O\n0.978960 0.232618 0.902082 O\n0.665479 0.013094 0.336111 O\n0.165346 0.513111 0.336055 O\n0.420933 0.763606 0.395382 O\n0.920898 0.263635 0.395370 O\n0.789036 0.063971 0.086352 O\n0.288887 0.563889 0.086331 O\n0.233957 0.090944 0.260050 F\n0.733852 0.591004 0.259906 F\n0.767320 0.911980 0.738449 F\n0.267027 0.412048 0.737965 F\n",
"nsites": 30,
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"formula_full": "Li2 V2 Cr2 P4 O16 F4",
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{
"id": "mp-25974",
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"structure_string": "Li6 Mo2 P4 O18\n1.0\n7.175046 0.000000 0.000000\n-0.385221 -7.205678 0.000000\n-3.544920 0.018911 -7.193706\nLi Mo P O\n6 2 4 18\ndirect\n0.910479 0.749092 0.811286 Li\n0.997606 0.495585 0.501751 Li\n0.410341 0.328697 0.748996 Li\n0.582200 0.665563 0.249589 Li\n0.150787 0.257590 0.190220 Li\n0.769766 0.999938 0.000913 Li\n0.490920 0.003236 0.490158 Mo\n0.002122 0.995702 0.509989 Mo\n0.877444 0.296332 0.754896 P\n0.619528 0.242109 0.196491 P\n0.099656 0.702984 0.244354 P\n0.394438 0.756211 0.805098 P\n0.235381 0.107858 0.467904 O\n0.996220 0.229712 0.638130 O\n0.103777 0.495322 0.249574 O\n0.695852 0.426084 0.297892 O\n0.952183 0.196392 0.939470 O\n0.338323 0.783935 0.336935 O\n0.509101 0.759918 0.013565 O\n0.194072 0.882285 0.741349 O\n0.810149 0.105627 0.266478 O\n0.542294 0.870070 0.733056 O\n0.529998 0.237934 0.988000 O\n0.637549 0.229212 0.639963 O\n0.316575 0.572607 0.704497 O\n0.983110 0.803415 0.062575 O\n0.897392 0.504360 0.747309 O\n0.453248 0.145574 0.258343 O\n0.003565 0.758573 0.381964 O\n0.754099 0.898083 0.529252 O\n",
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"formula_full": "Li6 Mo2 P4 O18",
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{
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"structure_string": "Li1 V4 O5 F7\n1.0\n5.207344 0.000000 0.000000\n0.048314 5.417837 0.000000\n0.022721 0.441502 7.482195\nLi V O F\n1 4 5 7\ndirect\n0.003033 0.557562 0.269098 Li\n0.024919 0.964773 0.494578 V\n0.026956 0.043166 0.004815 V\n0.521916 0.520057 0.002068 V\n0.519741 0.479184 0.499653 V\n0.073068 0.990859 0.249885 O\n0.206775 0.299958 0.962389 O\n0.203323 0.698622 0.537394 O\n0.782120 0.682762 0.056895 O\n0.785915 0.316413 0.443981 O\n0.294112 0.200922 0.553199 F\n0.289575 0.795804 0.945665 F\n0.371978 0.499480 0.250611 F\n0.601618 0.500450 0.750219 F\n0.692699 0.197829 0.050618 F\n0.696128 0.798091 0.447737 F\n0.907097 0.002114 0.750543 F\n",
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"elements": [
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"formula_full": "Li1 V4 O5 F7",
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{
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