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{
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"results": [
{
"id": "mp-1180661",
"created_at": "2022-09-04T14:39:49.794471Z",
"structure_string": "Li2 Pt1 O6\n1.0\n4.630041 2.994459 0.000000\n-4.630041 2.994459 0.000000\n0.000000 0.912250 3.689054\nLi Pt O\n2 1 6\ndirect\n0.652278 0.347722 0.000000 Li\n0.347722 0.652278 0.000000 Li\n0.000000 0.000000 0.000000 Pt\n0.764568 0.106681 0.682188 O\n0.106681 0.764568 0.682188 O\n0.320606 0.320606 0.803751 O\n0.235432 0.893319 0.317812 O\n0.893319 0.235432 0.317812 O\n0.679394 0.679394 0.196249 O\n",
"nsites": 9,
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"O"
],
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"density": 4.950478494655321,
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"volume": 102.29354184465642,
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},
{
"id": "mp-755257",
"created_at": "2022-09-04T14:47:25.000686Z",
"structure_string": "Mn6 O6 F6\n1.0\n4.614006 0.000000 0.000000\n0.000000 4.652208 0.000000\n0.000000 0.151647 9.530985\nMn O F\n6 6 6\ndirect\n0.035774 0.282369 0.916907 Mn\n0.984982 0.214917 0.248268 Mn\n0.985136 0.219774 0.585471 Mn\n0.484982 0.785083 0.751732 Mn\n0.535774 0.717631 0.083093 Mn\n0.485136 0.780226 0.414529 Mn\n0.173585 0.044882 0.411408 O\n0.188606 0.082519 0.752030 O\n0.688606 0.917481 0.247970 O\n0.673585 0.955118 0.588592 O\n0.336077 0.571892 0.916748 O\n0.836077 0.428108 0.083252 O\n0.234344 0.022949 0.083512 F\n0.734344 0.977051 0.916488 F\n0.288329 0.518747 0.254806 F\n0.273165 0.552934 0.574006 F\n0.773165 0.447066 0.425994 F\n0.788329 0.481253 0.745194 F\n",
"nsites": 18,
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"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.379838713441785,
"density_atomic": 0.08798273138727805,
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"formula_full": "Mn6 O6 F6",
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"updated_at": "2021-11-28T01:38:09.810000Z",
"spacegroup": 4
},
{
"id": "mp-24606",
"created_at": "2022-09-04T14:47:09.962569Z",
"structure_string": "Rb4 Mg2 H16 C4 O20\n1.0\n6.522210 0.000000 0.000000\n0.000000 7.162790 0.000000\n0.000000 5.229333 11.191366\nRb Mg H C O\n4 2 16 4 20\ndirect\n0.647965 0.247716 0.175862 Rb\n0.147965 0.752284 0.324138 Rb\n0.352035 0.752284 0.824138 Rb\n0.852035 0.247716 0.675862 Rb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.679729 0.293185 0.914478 H\n0.179729 0.706815 0.585522 H\n0.320271 0.706815 0.085522 H\n0.820271 0.293185 0.414478 H\n0.884688 0.426193 0.877875 H\n0.384688 0.573807 0.622125 H\n0.655128 0.799930 0.365057 H\n0.155128 0.200070 0.134943 H\n0.344872 0.200070 0.634943 H\n0.615312 0.426193 0.377875 H\n0.706413 0.800678 0.977510 H\n0.206413 0.199322 0.522490 H\n0.293587 0.199322 0.022490 H\n0.793587 0.800678 0.477510 H\n0.115312 0.573807 0.122125 H\n0.844872 0.799930 0.865057 H\n0.651139 0.753199 0.174847 C\n0.848861 0.753199 0.674847 C\n0.348861 0.246801 0.825153 C\n0.151139 0.246801 0.325153 C\n0.168431 0.713850 0.069577 O\n0.574278 0.691869 0.097377 O\n0.699398 0.885337 0.408394 O\n0.199398 0.114663 0.091606 O\n0.300602 0.114663 0.591606 O\n0.800602 0.885337 0.908394 O\n0.668431 0.286150 0.430423 O\n0.074278 0.308131 0.402623 O\n0.331569 0.713850 0.569577 O\n0.831569 0.286150 0.930423 O\n0.802350 0.882459 0.145430 O\n0.302350 0.117541 0.354570 O\n0.197650 0.117541 0.854570 O\n0.697650 0.882459 0.645430 O\n0.073999 0.316649 0.217938 O\n0.426001 0.316649 0.717938 O\n0.925722 0.691869 0.597377 O\n0.573999 0.683351 0.282062 O\n0.425722 0.308131 0.902623 O\n0.926001 0.683351 0.782062 O\n",
"nsites": 46,
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"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O-Rb",
"density": 2.4603017892913117,
"density_atomic": 0.08798279129417066,
"volume": 522.829513855714,
"volume_molar": 6.844680273742349,
"formula_full": "Rb4 Mg2 H16 C4 O20",
"formula_reduced": "Rb2MgH8(CO5)2",
"formula_anonymous": "AB2C2D8E10",
"energy": -278.49366516000003,
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"energy_uncorrected": -264.75366516,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:37:58.937000Z",
"spacegroup": 14
},
{
"id": "mp-779038",
"created_at": "2022-09-04T14:47:02.664236Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.521070 0.000000 0.000000\n0.023625 8.725016 0.000000\n0.367238 0.066645 12.230095\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.936049 0.514972 0.343842 Li\n0.919418 0.084737 0.690734 Li\n0.821554 0.783468 0.176641 Li\n0.681589 0.280678 0.322539 Li\n0.580797 0.586025 0.809130 Li\n0.563652 0.016021 0.156135 Li\n0.436615 0.985915 0.844261 Li\n0.419861 0.415661 0.191891 Li\n0.318911 0.717727 0.677004 Li\n0.180082 0.217165 0.824213 Li\n0.081722 0.915177 0.308436 Li\n0.062281 0.482894 0.654323 Li\n0.754090 0.030307 0.896215 Mn\n0.254568 0.469311 0.396640 Mn\n0.245636 0.537495 0.890448 Mn\n0.245522 0.970538 0.103279 Mn\n0.756251 0.464879 0.107794 V\n0.742311 0.526588 0.603904 V\n0.745511 0.964270 0.391121 V\n0.255319 0.034453 0.610056 V\n0.959745 0.247735 0.491137 P\n0.882697 0.379446 0.847204 P\n0.885672 0.109488 0.148646 P\n0.613847 0.882879 0.649948 P\n0.613917 0.608988 0.352537 P\n0.546602 0.751295 0.009711 P\n0.454918 0.252581 0.991526 P\n0.381814 0.390212 0.652206 P\n0.385725 0.119342 0.351854 P\n0.114376 0.888504 0.852045 P\n0.116238 0.619460 0.145226 P\n0.043605 0.748812 0.509111 P\n0.946114 0.887462 0.898545 O\n0.951382 0.867751 0.443367 O\n0.945703 0.662343 0.597537 O\n0.943139 0.581043 0.184843 O\n0.898922 0.358433 0.581646 O\n0.874624 0.199531 0.834039 O\n0.856692 0.418829 0.968041 O\n0.876137 0.994829 0.249138 O\n0.829264 0.270484 0.187845 O\n0.815706 0.177048 0.434469 O\n0.766995 0.467041 0.775268 O\n0.763483 0.047039 0.068853 O\n0.733320 0.547149 0.436829 O\n0.728149 0.973165 0.718801 O\n0.690243 0.679510 0.066882 O\n0.672626 0.769061 0.312984 O\n0.636919 0.918242 0.527823 O\n0.629014 0.494101 0.253853 O\n0.624658 0.705134 0.669004 O\n0.607203 0.864762 0.918184 O\n0.551523 0.167824 0.901286 O\n0.559455 0.082025 0.312592 O\n0.550161 0.392287 0.606475 O\n0.547513 0.369457 0.057134 O\n0.458139 0.632669 0.944731 O\n0.444005 0.610146 0.396809 O\n0.439735 0.919779 0.687992 O\n0.447569 0.836087 0.099329 O\n0.393877 0.138698 0.082895 O\n0.378778 0.299099 0.334497 O\n0.373625 0.505570 0.752435 O\n0.363618 0.083321 0.473336 O\n0.327392 0.228847 0.691193 O\n0.309753 0.326334 0.937450 O\n0.270814 0.031310 0.282210 O\n0.261598 0.454777 0.571264 O\n0.237561 0.952274 0.930735 O\n0.231975 0.531436 0.215298 O\n0.186652 0.821494 0.564470 O\n0.172123 0.727295 0.811909 O\n0.123452 0.001901 0.750820 O\n0.134830 0.587035 0.022889 O\n0.122653 0.798968 0.163669 O\n0.104662 0.637365 0.416547 O\n0.054882 0.413382 0.807806 O\n0.057209 0.334029 0.400383 O\n0.050684 0.125809 0.553869 O\n0.054581 0.110807 0.102267 O\n",
"nsites": 80,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.00685030142698,
"density_atomic": 0.08798320768384758,
"volume": 909.264416540326,
"volume_molar": 6.844647880581394,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -609.61092889,
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"updated_at": "2021-11-28T01:37:46.936000Z",
"spacegroup": 1
},
{
"id": "mp-971758",
"created_at": "2022-09-04T14:43:10.565113Z",
"structure_string": "Zn1 Ni3\n1.0\n3.569054 0.000000 0.000000\n0.000000 3.569054 0.000000\n0.000000 0.000000 3.569054\nZn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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"elements": [
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"Ni"
],
"chemical_system": "Ni-Zn",
"density": 8.82038320291228,
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"volume": 45.46313255750377,
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"formula_full": "Zn1 Ni3",
"formula_reduced": "ZnNi3",
"formula_anonymous": "AB3",
"energy": -19.05404747,
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"updated_at": "2021-11-28T01:36:04.342000Z",
"spacegroup": 221
},
{
"id": "mp-760967",
"created_at": "2022-09-04T14:45:13.105592Z",
"structure_string": "Na4 V26 O44\n1.0\n5.155354 -5.796321 0.000000\n5.155354 5.796321 0.000000\n0.000000 0.000000 14.073054\nNa V O\n4 26 44\ndirect\n0.661686 0.661686 0.906543 Na\n0.161686 0.161686 0.593457 Na\n0.838314 0.838314 0.406543 Na\n0.338314 0.338314 0.093457 Na\n0.067371 0.811442 0.182191 V\n0.188558 0.932629 0.817809 V\n0.228897 0.771103 0.500000 V\n0.062140 0.552646 0.651854 V\n0.447354 0.937860 0.348146 V\n0.052646 0.562140 0.848146 V\n0.437860 0.947354 0.151854 V\n0.271103 0.728897 0.000000 V\n0.311442 0.567371 0.317809 V\n0.432629 0.688558 0.682191 V\n0.000000 0.000000 0.000000 V\n0.330929 0.330929 0.840311 V\n0.830929 0.830929 0.659689 V\n0.500000 0.500000 0.500000 V\n0.669071 0.669071 0.159689 V\n0.169071 0.169071 0.340311 V\n0.688558 0.432629 0.682191 V\n0.567371 0.311442 0.317809 V\n0.728897 0.271103 0.000000 V\n0.947354 0.437860 0.151854 V\n0.562140 0.052646 0.848146 V\n0.937860 0.447354 0.348146 V\n0.552646 0.062140 0.651854 V\n0.771103 0.228897 0.500000 V\n0.932629 0.188558 0.817809 V\n0.811442 0.067371 0.182191 V\n0.020812 0.768013 0.574949 O\n0.231987 0.979188 0.425051 O\n0.052818 0.784931 0.921809 O\n0.215069 0.947182 0.078191 O\n0.120121 0.610371 0.093480 O\n0.389629 0.879879 0.906520 O\n0.209565 0.709565 0.750000 O\n0.290435 0.790435 0.250000 O\n0.110371 0.620121 0.406520 O\n0.379879 0.889629 0.593480 O\n0.114272 0.369910 0.758432 O\n0.630090 0.885728 0.241568 O\n0.614272 0.869910 0.741568 O\n0.130090 0.385728 0.258432 O\n0.284931 0.552818 0.578191 O\n0.447182 0.715069 0.421809 O\n0.268013 0.520812 0.925051 O\n0.479188 0.731987 0.074949 O\n0.140204 0.140204 0.900459 O\n0.495777 0.495777 0.758681 O\n0.995777 0.995777 0.741319 O\n0.640204 0.640204 0.599541 O\n0.359796 0.359796 0.400459 O\n0.504223 0.504223 0.241319 O\n0.859796 0.859796 0.099541 O\n0.004223 0.004223 0.258681 O\n0.520812 0.268013 0.925051 O\n0.731987 0.479188 0.074949 O\n0.552818 0.284931 0.578191 O\n0.715069 0.447182 0.421809 O\n0.869910 0.614272 0.741568 O\n0.885728 0.630090 0.241568 O\n0.369910 0.114272 0.758432 O\n0.385728 0.130090 0.258432 O\n0.889629 0.379879 0.593480 O\n0.620121 0.110371 0.406520 O\n0.709565 0.209565 0.750000 O\n0.790435 0.290435 0.250000 O\n0.879879 0.389629 0.906520 O\n0.610371 0.120121 0.093480 O\n0.784931 0.052818 0.921809 O\n0.947182 0.215069 0.078191 O\n0.768013 0.020812 0.574949 O\n0.979188 0.231987 0.425051 O\n",
"nsites": 74,
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"elements": [
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],
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"density": 4.186393178991497,
"density_atomic": 0.08798374611963838,
"volume": 841.064438190395,
"volume_molar": 6.844605993260647,
"formula_full": "Na4 V26 O44",
"formula_reduced": "Na2V13O22",
"formula_anonymous": "A2B13C22",
"energy": -640.08734155,
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"spacegroup": 64
},
{
"id": "mp-532743",
"created_at": "2022-09-04T14:39:22.177672Z",
"structure_string": "Li4 Ti8 Ni2 P8 O40\n1.0\n7.327972 0.000000 0.000000\n0.000000 7.446250 0.000000\n0.000000 0.030554 12.914138\nLi Ti Ni P O\n4 8 2 8 40\ndirect\n0.007643 0.991644 0.246501 Li\n0.492357 0.491644 0.746501 Li\n0.992357 0.008356 0.753499 Li\n0.507643 0.508356 0.253499 Li\n0.787845 0.334641 0.126540 Ti\n0.733038 0.841143 0.118286 Ti\n0.266962 0.158857 0.881714 Ti\n0.212155 0.665359 0.873460 Ti\n0.766962 0.341143 0.618286 Ti\n0.712155 0.834641 0.626540 Ti\n0.287845 0.165359 0.373460 Ti\n0.233038 0.658857 0.381714 Ti\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.376002 0.125593 0.124536 P\n0.131316 0.625890 0.128564 P\n0.868684 0.374110 0.871436 P\n0.623998 0.874407 0.875464 P\n0.368684 0.125890 0.628564 P\n0.123998 0.625593 0.624536 P\n0.876002 0.374407 0.375464 P\n0.631316 0.874110 0.371436 P\n0.253981 0.123410 0.222236 O\n0.257405 0.631488 0.223307 O\n0.841579 0.111854 0.132269 O\n0.021854 0.447813 0.124955 O\n0.652636 0.613910 0.115765 O\n0.496768 0.957000 0.124865 O\n0.498576 0.300392 0.122664 O\n0.001108 0.788601 0.129898 O\n0.250966 0.127021 0.029490 O\n0.254987 0.632467 0.029699 O\n0.745013 0.367533 0.970301 O\n0.749034 0.872979 0.970510 O\n0.998892 0.211399 0.870102 O\n0.501424 0.699608 0.877336 O\n0.503232 0.043000 0.875135 O\n0.347364 0.386090 0.884235 O\n0.978146 0.552187 0.875045 O\n0.158421 0.888146 0.867731 O\n0.742595 0.368512 0.776693 O\n0.746019 0.876590 0.777764 O\n0.242595 0.131488 0.723307 O\n0.246019 0.623410 0.722236 O\n0.847364 0.113910 0.615765 O\n0.003232 0.457000 0.624865 O\n0.658421 0.611854 0.632269 O\n0.478146 0.947813 0.624955 O\n0.498892 0.288601 0.629898 O\n0.001424 0.800392 0.622664 O\n0.245013 0.132467 0.529699 O\n0.249034 0.627021 0.529490 O\n0.750966 0.372979 0.470510 O\n0.754987 0.867533 0.470301 O\n0.998576 0.199608 0.377336 O\n0.501108 0.711399 0.370102 O\n0.521854 0.052187 0.375045 O\n0.341579 0.388146 0.367731 O\n0.996768 0.543000 0.375135 O\n0.152636 0.886090 0.384235 O\n0.753981 0.376590 0.277764 O\n0.757405 0.868512 0.276693 O\n",
"nsites": 62,
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"elements": [
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],
"chemical_system": "Li-Ni-O-P-Ti",
"density": 3.3364175243035743,
"density_atomic": 0.08798423295315852,
"volume": 704.6717112713577,
"volume_molar": 6.844568120751927,
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