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{
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"results": [
{
"id": "mp-1234442",
"created_at": "2022-09-04T14:45:05.134912Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.274250 0.324738 0.225128\n4.326952 -7.559707 -0.007923\n4.331806 -2.536452 -7.133952\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.747383 0.747548 0.752532 Mg\n0.087232 0.636765 0.640366 V\n0.402624 0.871014 0.866483 V\n0.974437 0.345501 0.340318 V\n0.533110 0.151594 0.159869 Co\n0.939193 0.021276 0.018448 Sn\n0.550459 0.485153 0.480512 Sn\n0.253476 0.251396 0.537005 P\n0.253202 0.960683 0.248882 P\n0.256977 0.534016 0.958702 P\n0.754679 0.454868 0.047958 P\n0.750586 0.046289 0.745253 P\n0.753328 0.744947 0.456496 P\n0.086555 0.126694 0.293831 O\n0.083270 0.504365 0.120192 O\n0.082475 0.300142 0.496482 O\n0.259564 0.065172 0.704141 O\n0.409612 0.245436 0.368526 O\n0.228485 0.403340 0.597028 O\n0.259247 0.977301 0.060067 O\n0.219875 0.777083 0.397564 O\n0.597745 0.629373 0.010636 O\n0.228292 0.600345 0.771184 O\n0.735574 0.278851 0.066903 O\n0.593515 0.005203 0.767127 O\n0.413444 0.970169 0.245310 O\n0.279572 0.693633 0.968071 O\n0.778682 0.421675 0.229010 O\n0.406620 0.358458 0.977303 O\n0.771995 0.228146 0.573994 O\n0.732817 0.064607 0.920628 O\n0.774836 0.574193 0.422947 O\n0.595468 0.767887 0.629247 O\n0.737765 0.920807 0.280398 O\n0.909027 0.706498 0.508268 O\n0.909972 0.502923 0.877505 O\n0.906050 0.876656 0.710814 O\n",
"nsites": 37,
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"elements": [
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"density": 3.364690673203423,
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"volume": 514.8938257710312,
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"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -287.06636012,
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"energy_uncorrected": -263.84036012,
"band_gap": 0.9701,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.330000Z",
"spacegroup": 1
},
{
"id": "mp-1234372",
"created_at": "2022-09-04T14:48:20.145267Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.201541 0.490381 0.105556\n4.156960 -7.542766 0.073474\n4.334646 -2.354970 -7.059996\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.470555 0.975297 0.460684 Mg\n0.061672 0.649543 0.651716 V\n0.442645 0.841234 0.876097 V\n0.959158 0.334793 0.352631 V\n0.519891 0.213158 0.092489 Co\n0.929785 0.030743 0.016818 Sn\n0.549190 0.452207 0.500091 Sn\n0.243580 0.262524 0.538416 P\n0.247979 0.957627 0.262440 P\n0.246187 0.549540 0.949661 P\n0.748459 0.466403 0.040239 P\n0.752575 0.030332 0.746007 P\n0.767016 0.723236 0.475644 P\n0.079348 0.110500 0.294931 O\n0.101238 0.489155 0.128344 O\n0.078966 0.278129 0.522335 O\n0.298802 0.065685 0.678804 O\n0.404825 0.260222 0.353081 O\n0.218487 0.415890 0.600395 O\n0.292967 0.953599 0.068269 O\n0.223291 0.770417 0.414924 O\n0.587408 0.623958 0.030125 O\n0.191617 0.624587 0.774033 O\n0.729451 0.292070 0.039055 O\n0.592869 0.002820 0.761207 O\n0.396833 0.994091 0.269492 O\n0.278358 0.710707 0.947471 O\n0.769174 0.408953 0.232931 O\n0.411741 0.394803 0.910155 O\n0.767245 0.220180 0.584535 O\n0.725830 0.049670 0.931202 O\n0.781434 0.562699 0.430060 O\n0.589500 0.754692 0.635090 O\n0.740169 0.908390 0.308991 O\n0.923614 0.689162 0.516241 O\n0.916774 0.502948 0.881911 O\n0.918510 0.883168 0.700045 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
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"Co",
"Sn",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.406613207182382,
"density_atomic": 0.07275481176961864,
"volume": 508.5574287122363,
"volume_molar": 8.277309243915548,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -288.64842824,
"energy_per_atom": -7.801308871351351,
"energy_above_hull": null,
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"energy_uncorrected": -265.42242824,
"band_gap": 0.8536999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.401000Z",
"spacegroup": 1
},
{
"id": "mp-1234654",
"created_at": "2022-09-04T14:41:35.346376Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.701720 0.677352 0.480651\n4.231710 -7.375435 0.033528\n4.231893 -2.438421 -6.914355\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.677037 0.443345 0.449171 Mg\n0.017296 0.661256 0.665025 V\n0.462705 0.846134 0.843512 V\n0.998475 0.330618 0.336209 V\n0.520867 0.160382 0.151817 Co\n0.912495 0.032040 0.029242 Sn\n0.365155 0.542503 0.538944 Sn\n0.262760 0.242526 0.530825 P\n0.261033 0.960372 0.243563 P\n0.263209 0.532636 0.958384 P\n0.754097 0.466466 0.035197 P\n0.756410 0.030669 0.750397 P\n0.758743 0.748085 0.464233 P\n0.107397 0.126461 0.246190 O\n0.116105 0.512959 0.131414 O\n0.111135 0.235543 0.519477 O\n0.318698 0.070441 0.692982 O\n0.394550 0.289857 0.345100 O\n0.196713 0.424984 0.589733 O\n0.313963 0.922528 0.065765 O\n0.199254 0.782234 0.423130 O\n0.609533 0.635946 0.015270 O\n0.198187 0.590468 0.781560 O\n0.725282 0.291482 0.053892 O\n0.615754 0.006833 0.740094 O\n0.393223 0.967936 0.288633 O\n0.318910 0.694438 0.914366 O\n0.806063 0.420122 0.206432 O\n0.398979 0.351476 0.957009 O\n0.807416 0.202405 0.575525 O\n0.721925 0.053376 0.936671 O\n0.816282 0.569613 0.417907 O\n0.611718 0.738351 0.633275 O\n0.727489 0.930403 0.289229 O\n0.908508 0.746317 0.493912 O\n0.909772 0.492153 0.862274 O\n0.912865 0.860708 0.745519 O\n",
"nsites": 37,
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"elements": [
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"Sn",
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"O"
],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.2967606118620982,
"density_atomic": 0.07040869719515487,
"volume": 525.5032613008799,
"volume_molar": 8.553120565926918,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -286.71849348,
"energy_per_atom": -7.749148472432433,
"energy_above_hull": null,
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"energy_uncorrected": -263.49249348,
"band_gap": 0.6647000000000003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.252000Z",
"spacegroup": 1
},
{
"id": "mp-1233845",
"created_at": "2022-09-04T14:46:00.801925Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.749293 0.755919 0.514716\n4.190176 -7.259177 0.014573\n4.207029 -2.407889 -6.825312\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.329114 0.550424 0.550153 Mg\n0.016640 0.663763 0.659360 V\n0.447459 0.851977 0.853433 V\n0.996665 0.340111 0.328475 V\n0.507654 0.170875 0.165907 Co\n0.892102 0.034102 0.035963 Sn\n0.640152 0.452078 0.455241 Sn\n0.249704 0.242919 0.545503 P\n0.253197 0.962420 0.248380 P\n0.256041 0.538514 0.956341 P\n0.744241 0.472018 0.030956 P\n0.743858 0.031928 0.752219 P\n0.742463 0.755366 0.473775 P\n0.109091 0.138426 0.222576 O\n0.103640 0.528601 0.131141 O\n0.108525 0.232952 0.516243 O\n0.305991 0.051257 0.703011 O\n0.387537 0.290374 0.364836 O\n0.185401 0.409569 0.618643 O\n0.327893 0.929092 0.054658 O\n0.193404 0.782368 0.406941 O\n0.595757 0.639388 0.020473 O\n0.198577 0.612126 0.777249 O\n0.707045 0.281094 0.099379 O\n0.596173 0.018445 0.744812 O\n0.382552 0.970054 0.296374 O\n0.321616 0.686548 0.936548 O\n0.803753 0.450053 0.194511 O\n0.383640 0.348919 0.969483 O\n0.803722 0.194519 0.551087 O\n0.705734 0.098239 0.913783 O\n0.797907 0.552934 0.457464 O\n0.593655 0.754313 0.645209 O\n0.703345 0.912977 0.284262 O\n0.885067 0.777460 0.483315 O\n0.884869 0.487072 0.852209 O\n0.888674 0.857042 0.770400 O\n",
"nsites": 37,
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"elements": [
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"Co",
"Sn",
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],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.360257826222463,
"density_atomic": 0.07176480298049716,
"volume": 515.5730729178639,
"volume_molar": 8.391496262640866,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -286.89958463,
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"updated_at": "2021-11-28T01:37:20.359000Z",
"spacegroup": 1
},
{
"id": "mp-1234893",
"created_at": "2022-09-04T14:42:48.445906Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.221869 0.298776 0.253154\n4.321450 -7.473821 -0.035551\n4.288731 -2.554172 -6.988049\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.663224 0.759431 0.166306 Mg\n0.056635 0.644602 0.632216 V\n0.461281 0.858345 0.837001 V\n0.948418 0.352604 0.354858 V\n0.555002 0.164153 0.151574 Co\n0.054975 0.972620 0.988301 Sn\n0.478132 0.411442 0.622181 Sn\n0.247581 0.251943 0.538356 P\n0.255717 0.953473 0.252103 P\n0.245082 0.542984 0.957944 P\n0.757808 0.474332 0.026575 P\n0.757485 0.029268 0.740012 P\n0.756048 0.752744 0.454555 P\n0.107845 0.126638 0.277761 O\n0.083641 0.516779 0.126030 O\n0.076553 0.296164 0.516256 O\n0.272016 0.055416 0.710898 O\n0.403445 0.253341 0.365990 O\n0.228874 0.398134 0.611342 O\n0.276516 0.945408 0.062027 O\n0.214485 0.768150 0.413708 O\n0.617715 0.676082 0.005987 O\n0.208549 0.610248 0.769320 O\n0.710412 0.331098 0.024566 O\n0.575712 0.059258 0.737010 O\n0.431887 0.943798 0.240326 O\n0.284537 0.704553 0.951676 O\n0.786706 0.426694 0.212217 O\n0.407586 0.365538 0.954205 O\n0.786281 0.224149 0.606796 O\n0.746366 0.978188 0.945479 O\n0.755662 0.608223 0.394256 O\n0.608460 0.754616 0.640178 O\n0.730140 0.943535 0.288731 O\n0.936043 0.684309 0.476127 O\n0.926454 0.503170 0.859575 O\n0.901017 0.877322 0.665684 O\n",
"nsites": 37,
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"elements": [
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"Co",
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],
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"density": 3.4992494136266665,
"density_atomic": 0.07473323707152718,
"volume": 495.0943040857082,
"volume_molar": 8.058182672103726,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -289.09373395,
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"updated_at": "2021-11-28T01:35:51.066000Z",
"spacegroup": 1
},
{
"id": "mp-1233189",
"created_at": "2022-09-04T14:48:20.229746Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.996379 -0.063267 -0.042197\n4.522111 -7.481475 0.033240\n4.520938 -2.474766 -7.057128\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.123699 0.625742 0.630896 Mg\n0.569973 0.142690 0.143886 V\n0.002275 0.997488 0.996664 Cr\n0.526087 0.494487 0.491396 Cr\n0.758737 0.748857 0.743663 Fe\n0.413143 0.860066 0.863834 Fe\n0.959037 0.346909 0.348084 Fe\n0.256189 0.243971 0.542010 P\n0.277253 0.946781 0.249589 P\n0.264029 0.536190 0.955793 P\n0.764056 0.442078 0.046228 P\n0.750089 0.055451 0.743486 P\n0.772170 0.746656 0.436440 P\n0.096662 0.094669 0.329316 O\n0.088716 0.488694 0.098252 O\n0.087323 0.313481 0.492402 O\n0.229215 0.081410 0.739752 O\n0.440842 0.161111 0.387999 O\n0.286130 0.393984 0.552216 O\n0.256245 0.938690 0.088697 O\n0.312810 0.748314 0.400822 O\n0.590118 0.609974 0.995831 O\n0.308098 0.544126 0.756377 O\n0.774973 0.251887 0.058510 O\n0.581774 0.007079 0.794880 O\n0.449693 0.000365 0.173480 O\n0.231110 0.733642 0.951956 O\n0.749265 0.427787 0.236355 O\n0.437503 0.386361 0.014356 O\n0.742557 0.245716 0.580204 O\n0.750595 0.076409 0.909085 O\n0.766998 0.584966 0.418078 O\n0.593655 0.803295 0.607512 O\n0.777262 0.913712 0.244179 O\n0.936309 0.701584 0.484797 O\n0.932898 0.493551 0.876260 O\n0.923760 0.882139 0.694840 O\n",
"nsites": 37,
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"elements": [
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"Cr",
"Fe",
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],
"chemical_system": "Cr-Fe-Mg-O-P-V",
"density": 3.219608239984433,
"density_atomic": 0.07826632048792861,
"volume": 472.7448507778858,
"volume_molar": 7.694421716080065,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -296.95309118,
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"updated_at": "2021-11-28T01:38:53.165000Z",
"spacegroup": 1
},
{
"id": "mp-1233627",
"created_at": "2022-09-04T14:47:41.025412Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.690525 0.005673 0.245581\n4.311993 -7.545324 -0.034694\n4.109974 -2.675889 -7.284084\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.636434 0.125787 0.103996 Mg\n0.269437 0.239782 0.251370 V\n0.029555 0.994318 0.985197 Cr\n0.493077 0.501787 0.512062 Cr\n0.064641 0.643698 0.648023 Fe\n0.465199 0.843782 0.839353 Fe\n0.894580 0.366864 0.372057 Fe\n0.272538 0.249826 0.544145 P\n0.263129 0.944353 0.244404 P\n0.253124 0.551595 0.954094 P\n0.781131 0.445572 0.024646 P\n0.769366 0.032909 0.741501 P\n0.751195 0.745392 0.460410 P\n0.097218 0.117348 0.298456 O\n0.093940 0.492503 0.122953 O\n0.100529 0.303692 0.481060 O\n0.268045 0.083814 0.725744 O\n0.432886 0.203283 0.378991 O\n0.278162 0.414806 0.561507 O\n0.244528 0.935605 0.083807 O\n0.280928 0.756979 0.409834 O\n0.598319 0.592156 0.979160 O\n0.257998 0.566082 0.771352 O\n0.815785 0.246536 0.037458 O\n0.597073 0.981833 0.822369 O\n0.429325 0.005807 0.187747 O\n0.244054 0.741428 0.936834 O\n0.757600 0.432760 0.217857 O\n0.423954 0.376072 0.015504 O\n0.724458 0.238633 0.587177 O\n0.812609 0.043032 0.889492 O\n0.718936 0.585781 0.447994 O\n0.581096 0.813019 0.605059 O\n0.774885 0.897546 0.271286 O\n0.929107 0.654813 0.517641 O\n0.945271 0.503643 0.885923 O\n0.938949 0.897474 0.653848 O\n",
"nsites": 37,
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"elements": [
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"O"
],
"chemical_system": "Cr-Fe-Mg-O-P-V",
"density": 3.1591587892706974,
"density_atomic": 0.07679683857266821,
"volume": 481.79066596588,
"volume_molar": 7.841651911623434,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -296.63246067,
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"updated_at": "2021-11-28T01:38:16.805000Z",
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{
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{
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]
}