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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12097",
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"results": [
{
"id": "mp-1175557",
"created_at": "2022-09-04T14:40:03.684473Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.909978 0.000000 0.000000\n-1.664128 -6.228943 0.000000\n-1.876381 0.306047 -7.659391\nLi Mn Co O\n9 2 5 16\ndirect\n0.119819 0.621346 0.880248 Li\n0.747822 0.252679 0.756411 Li\n0.999754 0.499947 0.501448 Li\n0.622039 0.122381 0.377254 Li\n0.872411 0.384120 0.113648 Li\n0.501857 0.998238 0.995539 Li\n0.384089 0.873896 0.630236 Li\n0.250097 0.749624 0.246390 Li\n0.626686 0.624027 0.876381 Li\n0.995038 0.996457 0.998116 Mn\n0.498050 0.500440 0.503220 Mn\n0.252769 0.253388 0.752864 Co\n0.866540 0.874900 0.631432 Co\n0.126440 0.124962 0.374060 Co\n0.752913 0.746145 0.244296 Co\n0.380283 0.375071 0.120152 Co\n0.943353 0.705803 0.061038 O\n0.538662 0.309927 0.927111 O\n0.805561 0.575210 0.669725 O\n0.431127 0.197248 0.550792 O\n0.665661 0.449277 0.316962 O\n0.303949 0.077292 0.175456 O\n0.160606 0.948275 0.819160 O\n0.047742 0.829065 0.423215 O\n0.326432 0.543697 0.672507 O\n0.953598 0.172111 0.573643 O\n0.194584 0.422384 0.325120 O\n0.834983 0.049482 0.180794 O\n0.071828 0.305257 0.948431 O\n0.704242 0.942032 0.823006 O\n0.570185 0.801703 0.449155 O\n0.450886 0.673613 0.082185 O\n",
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"elements": [
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"Mn",
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"O"
],
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"density": 4.257883883652637,
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"volume": 281.9645182084248,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.048157,
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"updated_at": "2021-11-28T01:34:50.240000Z",
"spacegroup": 1
},
{
"id": "mp-1245320",
"created_at": "2022-09-04T14:40:03.821186Z",
"structure_string": "Ti100\n1.0\n11.841932 0.065058 0.087674\n0.059780 12.366594 -0.075703\n0.095018 -0.083665 11.978790\nTi\n100\ndirect\n0.968692 0.918557 0.834264 Ti\n0.637536 0.862799 0.236097 Ti\n0.417074 0.561989 0.429323 Ti\n0.125084 0.291181 0.388425 Ti\n0.545101 0.368721 0.515056 Ti\n0.475967 0.714488 0.254041 Ti\n0.130266 0.753435 0.849028 Ti\n0.144659 0.555756 0.735097 Ti\n0.265625 0.373403 0.848229 Ti\n0.008638 0.919218 0.228231 Ti\n0.126854 0.836411 0.066910 Ti\n0.840561 0.533083 0.308318 Ti\n0.910248 0.852025 0.521552 Ti\n0.637886 0.566363 0.405780 Ti\n0.113637 0.957422 0.426365 Ti\n0.729106 0.187370 0.449420 Ti\n0.062217 0.129899 0.253610 Ti\n0.419785 0.368331 0.020515 Ti\n0.569361 0.447641 0.839859 Ti\n0.935146 0.096005 0.447087 Ti\n0.710960 0.355235 0.265314 Ti\n0.730682 0.627619 0.898057 Ti\n0.630411 0.040596 0.757866 Ti\n0.158070 0.203557 0.990142 Ti\n0.995730 0.045742 0.035209 Ti\n0.715774 0.756133 0.646097 Ti\n0.616619 0.087994 0.271102 Ti\n0.482692 0.952003 0.380686 Ti\n0.470367 0.287021 0.726072 Ti\n0.330286 0.674793 0.642457 Ti\n0.182565 0.578528 0.967962 Ti\n0.883099 0.638279 0.511943 Ti\n0.667645 0.451274 0.043213 Ti\n0.608086 0.250092 0.112212 Ti\n0.363707 0.464686 0.633162 Ti\n0.062979 0.395174 0.991818 Ti\n0.486286 0.472455 0.221398 Ti\n0.505644 0.748118 0.488396 Ti\n0.511340 0.886040 0.652466 Ti\n0.312873 0.987329 0.538585 Ti\n0.674241 0.625298 0.180149 Ti\n0.130267 0.144669 0.551644 Ti\n0.827023 0.134634 0.212248 Ti\n0.721379 0.765883 0.416553 Ti\n0.462974 0.937412 0.901992 Ti\n0.611853 0.788573 0.027972 Ti\n0.857162 0.024273 0.658794 Ti\n0.431668 0.902763 0.127452 Ti\n0.380275 0.163693 0.926096 Ti\n0.569746 0.567375 0.630457 Ti\n0.919074 0.710156 0.744392 Ti\n0.799230 0.100046 0.890014 Ti\n0.306614 0.396708 0.378660 Ti\n0.210555 0.986813 0.900652 Ti\n0.629779 0.027216 0.033466 Ti\n0.865625 0.738751 0.232580 Ti\n0.031517 0.342141 0.191023 Ti\n0.905966 0.304945 0.368428 Ti\n0.607934 0.223665 0.894290 Ti\n0.267521 0.879015 0.276460 Ti\n0.106823 0.963006 0.663569 Ti\n0.531720 0.723434 0.809808 Ti\n0.983950 0.475474 0.575133 Ti\n0.732641 0.863838 0.858168 Ti\n0.277533 0.776475 0.456712 Ti\n0.856581 0.266390 0.055001 Ti\n0.169721 0.362646 0.603944 Ti\n0.327434 0.758827 0.987611 Ti\n0.308363 0.108576 0.340459 Ti\n0.275003 0.263678 0.186657 Ti\n0.950583 0.547862 0.881253 Ti\n0.367186 0.573635 0.841189 Ti\n0.767802 0.413902 0.503571 Ti\n0.404676 0.069959 0.721985 Ti\n0.470505 0.591071 0.039632 Ti\n0.682769 0.967550 0.519102 Ti\n0.188581 0.573776 0.498051 Ti\n0.812036 0.357496 0.874939 Ti\n0.059359 0.635642 0.146141 Ti\n0.312183 0.856471 0.751313 Ti\n0.096747 0.743358 0.605899 Ti\n0.219624 0.029986 0.119010 Ti\n0.812368 0.911412 0.085275 Ti\n0.813912 0.953660 0.336003 Ti\n0.062784 0.511445 0.336337 Ti\n0.207355 0.175160 0.757786 Ti\n0.344060 0.230906 0.544348 Ti\n0.266155 0.653471 0.247423 Ti\n0.060984 0.740786 0.364298 Ti\n0.029063 0.357727 0.774861 Ti\n0.433981 0.116792 0.139788 Ti\n0.531025 0.136393 0.533693 Ti\n0.790747 0.498740 0.709044 Ti\n0.923289 0.747837 0.982549 Ti\n0.239493 0.464825 0.151960 Ti\n0.887090 0.500997 0.091994 Ti\n0.931113 0.264652 0.596926 Ti\n0.724298 0.235958 0.691443 Ti\n0.486554 0.262246 0.321184 Ti\n0.985100 0.142422 0.799048 Ti\n",
"nsites": 100,
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"elements": [
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"density": 4.531641287765111,
"density_atomic": 0.05701251742992054,
"volume": 1754.000779266052,
"volume_molar": 10.562839585889853,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -774.03900131,
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"energy_uncorrected": -774.03900131,
"band_gap": 0.0,
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"total_magnetization": 0.0153928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.656000Z",
"spacegroup": 1
},
{
"id": "mp-867624",
"created_at": "2022-09-04T14:40:03.827889Z",
"structure_string": "Li4 Co5 O12\n1.0\n4.883000 0.000000 0.000000\n-2.438411 4.246796 0.000000\n-0.797662 -1.438736 9.774058\nLi Co O\n4 5 12\ndirect\n0.163495 0.346894 0.009637 Li\n0.000760 0.505785 0.490000 Li\n0.653191 0.836993 0.489023 Li\n0.255859 0.761953 0.249010 Li\n0.921411 0.073219 0.251374 Co\n0.745072 0.253530 0.750767 Co\n0.414400 0.586494 0.750156 Co\n0.589207 0.414466 0.249119 Co\n0.082200 0.920245 0.751156 Co\n0.039009 0.217127 0.649439 O\n0.295977 0.427131 0.356127 O\n0.652555 0.136685 0.359218 O\n0.579953 0.698673 0.146734 O\n0.786918 0.961003 0.848103 O\n0.854459 0.344881 0.151067 O\n0.109686 0.614177 0.848666 O\n0.212451 0.079038 0.146221 O\n0.441261 0.282718 0.848311 O\n0.379531 0.881093 0.647368 O\n0.722892 0.558732 0.648724 O\n0.921312 0.777563 0.359778 O\n",
"nsites": 21,
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"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.21450185710779,
"density_atomic": 0.1036087082141073,
"volume": 202.68566573191436,
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"formula_full": "Li4 Co5 O12",
"formula_reduced": "Li4Co5O12",
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"energy": -132.65405742000002,
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"updated_at": "2021-11-28T01:34:45.747000Z",
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{
"id": "mp-1046702",
"created_at": "2022-09-04T14:40:03.847665Z",
"structure_string": "Mg2 Cr2 S2 F10\n1.0\n4.073830 -0.437267 -5.232084\n3.500712 -6.906677 -0.847921\n0.550758 -0.770837 -10.105554\nMg Cr S F\n2 2 2 10\ndirect\n0.442746 0.260240 0.690901 Mg\n0.460670 0.715995 0.358075 Mg\n0.490039 0.477049 0.971061 Cr\n0.470743 0.978099 0.015182 Cr\n0.260225 0.447440 0.323730 S\n0.847906 0.702448 0.551976 S\n0.576048 0.876609 0.154488 F\n0.674403 0.437274 0.196340 F\n0.378534 0.073106 0.867395 F\n0.503403 0.425077 0.761546 F\n0.915238 0.581398 0.239768 F\n0.040184 0.832727 0.690826 F\n0.047405 0.377460 0.749308 F\n0.917097 0.132162 0.348676 F\n0.377764 0.754223 0.045309 F\n0.584326 0.195821 0.967432 F\n",
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"elements": [
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"Cr",
"S",
"F"
],
"chemical_system": "Cr-F-Mg-S",
"density": 2.5913408686109807,
"density_atomic": 0.06139088925591302,
"volume": 260.6249916547498,
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"formula_full": "Mg2 Cr2 S2 F10",
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"updated_at": "2021-11-28T01:34:46.556000Z",
"spacegroup": 1
},
{
"id": "mp-675218",
"created_at": "2022-09-04T14:40:03.905012Z",
"structure_string": "Ba22 W8 O46\n1.0\n10.799225 0.178209 6.372859\n3.777198 10.101725 6.354834\n-0.000110 -0.029412 12.746259\nBa W O\n22 8 46\ndirect\n0.237037 0.229340 0.231667 Ba\n0.126931 0.618789 0.155194 Ba\n0.132108 0.153556 0.611883 Ba\n0.218047 0.267149 0.787869 Ba\n0.138366 0.630924 0.565368 Ba\n0.268185 0.811299 0.208937 Ba\n0.596562 0.154322 0.156583 Ba\n0.344642 0.378077 0.371926 Ba\n0.126852 0.770094 0.776216 Ba\n0.621004 0.149092 0.564922 Ba\n0.625046 0.532814 0.173223 Ba\n0.356294 0.862866 0.430622 Ba\n0.361018 0.423773 0.866003 Ba\n0.996860 0.165325 0.178410 Ba\n0.375176 0.861590 0.836631 Ba\n0.712862 0.194458 0.795978 Ba\n0.840736 0.369037 0.441234 Ba\n0.733266 0.755514 0.209869 Ba\n0.618399 0.628016 0.621286 Ba\n0.830460 0.396024 0.866786 Ba\n0.845289 0.855579 0.383163 Ba\n0.758707 0.771806 0.775711 Ba\n0.976461 0.012233 0.007558 W\n0.988544 0.001413 0.506947 W\n0.984642 0.505218 0.500139 W\n0.462853 0.030228 0.989640 W\n0.485799 0.006070 0.501967 W\n0.475935 0.513624 0.999117 W\n0.483262 0.505995 0.514635 W\n0.952518 0.513008 0.039239 W\n0.100075 0.396642 0.379812 O\n0.406288 0.951407 0.174659 O\n0.122940 0.395678 0.583009 O\n0.083628 0.628743 0.382021 O\n0.367000 0.397260 0.115433 O\n0.354231 0.115342 0.407438 O\n0.368351 0.615249 0.121090 O\n0.361109 0.105702 0.628851 O\n0.598696 0.389488 0.098316 O\n0.565434 0.141928 0.389585 O\n0.393236 0.597565 0.386003 O\n0.387835 0.383123 0.617593 O\n0.335298 0.624194 0.621589 O\n0.625552 0.389927 0.413284 O\n0.100049 0.925211 0.888575 O\n0.504689 0.151783 0.001876 O\n0.573618 0.633606 0.422811 O\n0.578632 0.413940 0.640383 O\n0.875009 0.402123 0.055267 O\n0.876221 0.023810 0.427050 O\n0.342814 0.628208 0.909200 O\n0.397501 0.875492 0.612757 O\n0.800908 0.666992 0.991790 O\n0.835604 0.122528 0.597367 O\n0.855541 0.508485 0.210871 O\n0.600129 0.908933 0.377782 O\n0.580305 0.415238 0.877909 O\n0.035295 0.624055 0.008870 O\n0.108934 0.352821 0.068482 O\n0.107382 0.983366 0.578256 O\n0.032514 0.157479 0.364962 O\n0.351723 0.981305 0.974285 O\n0.580510 0.629379 0.889736 O\n0.611237 0.904136 0.596871 O\n0.893611 0.377121 0.621361 O\n0.861649 0.609849 0.400170 O\n0.825828 0.144458 0.953658 O\n0.865937 0.907473 0.127067 O\n0.587581 0.036389 0.821540 O\n0.867595 0.617119 0.608753 O\n0.034236 0.157078 0.936777 O\n0.040156 0.943703 0.145825 O\n0.002211 0.510949 0.786670 O\n0.961056 0.842584 0.651091 O\n0.140411 0.883994 0.407825 O\n0.069938 0.528935 0.841561 O\n",
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],
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"density_atomic": 0.054943579736763296,
"volume": 1383.2371382447009,
"volume_molar": 10.960590461801537,
"formula_full": "Ba22 W8 O46",
"formula_reduced": "Ba11W4O23",
"formula_anonymous": "A4B11C23",
"energy": -577.62294205,
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"updated_at": "2021-11-28T01:34:44.087000Z",
"spacegroup": 1
},
{
"id": "mp-766011",
"created_at": "2022-09-04T14:40:03.897931Z",
"structure_string": "Li6 V2 Cr2 P4 H4 O20\n1.0\n-0.605841 -1.977738 4.744938\n5.583171 -0.096375 0.080541\n0.384008 12.396596 4.763052\nLi V Cr P H O\n6 2 2 4 4 20\ndirect\n0.363903 0.991564 0.418668 Li\n0.863712 0.491307 0.918774 Li\n0.090638 0.457567 0.157112 Li\n0.590632 0.957772 0.657115 Li\n0.422094 0.759615 0.074026 Li\n0.922183 0.259870 0.573896 Li\n0.251048 0.253452 0.750867 V\n0.751488 0.753418 0.250656 V\n0.504731 0.507203 0.494762 Cr\n0.004875 0.006985 0.994788 Cr\n0.549732 0.244147 0.108600 P\n0.049827 0.744304 0.608489 P\n0.958442 0.257848 0.375973 P\n0.458436 0.757695 0.876039 P\n0.165077 0.914148 0.171568 H\n0.665122 0.414347 0.671601 H\n0.305917 0.619971 0.334120 H\n0.805735 0.119708 0.834149 H\n0.469432 0.690963 0.366289 O\n0.969376 0.190614 0.866332 O\n0.529470 0.024416 0.180892 O\n0.029506 0.524627 0.680694 O\n0.005910 0.017675 0.329740 O\n0.505972 0.517328 0.829911 O\n0.340506 0.200099 0.023402 O\n0.840547 0.700193 0.523346 O\n0.827887 0.278387 0.062819 O\n0.327983 0.778548 0.562766 O\n0.692791 0.242470 0.430643 O\n0.192553 0.742365 0.930549 O\n0.172050 0.299326 0.463578 O\n0.671747 0.799128 0.963800 O\n0.497387 0.482710 0.159704 O\n0.997461 0.982957 0.659563 O\n0.985388 0.466555 0.298038 O\n0.485381 0.966431 0.798168 O\n0.042560 0.812053 0.128325 O\n0.542543 0.312251 0.628369 O\n",
"nsites": 38,
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"formula_full": "Li6 V2 Cr2 P4 H4 O20",
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"spacegroup": 1
},
{
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