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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=3",
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"results": [
{
"id": "mp-1176043",
"created_at": "2022-09-04T14:43:13.024994Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.032801 0.000000 0.000000\n-0.500817 6.005618 0.000000\n-0.202103 -0.197135 16.091303\nLi Mn Co O\n9 2 5 16\ndirect\n0.000091 0.501181 0.998782 Li\n0.499838 0.748609 0.126259 Li\n0.999033 0.998321 0.251440 Li\n0.499273 0.250846 0.874390 Li\n0.001153 0.000951 0.749203 Li\n0.502486 0.755547 0.622810 Li\n0.999254 0.499876 0.500339 Li\n0.498394 0.245288 0.376299 Li\n0.999881 0.999811 0.499876 Li\n0.000673 0.996530 0.999214 Mn\n0.500215 0.253338 0.126336 Mn\n0.001534 0.502639 0.252658 Co\n0.498747 0.761422 0.380467 Co\n0.498254 0.238298 0.620264 Co\n0.000753 0.501212 0.748196 Co\n0.503586 0.748213 0.873233 Co\n0.522007 0.755059 0.993122 O\n0.026737 0.006162 0.121430 O\n0.528998 0.264490 0.247293 O\n0.032191 0.509378 0.869018 O\n0.489535 0.260827 0.740283 O\n0.018548 0.019131 0.624885 O\n0.502834 0.745266 0.487803 O\n0.024204 0.515053 0.369683 O\n0.473291 0.242833 0.004092 O\n0.976687 0.496705 0.132133 O\n0.472113 0.736993 0.260367 O\n0.971761 0.986627 0.877607 O\n0.514594 0.736761 0.755373 O\n0.970664 0.488704 0.629721 O\n0.495922 0.253900 0.512475 O\n0.976747 0.980028 0.374946 O\n",
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"spacegroup": 1
},
{
"id": "mp-765479",
"created_at": "2022-09-04T14:43:13.035063Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.759133 0.000000 0.000000\n4.859954 8.489467 0.000000\n0.055239 0.000481 14.228674\nLi V P O\n8 6 16 58\ndirect\n0.686009 0.086247 0.061384 Li\n0.672640 0.233708 0.558918 Li\n0.234994 0.093302 0.556030 Li\n0.085914 0.230789 0.062230 Li\n0.233935 0.669655 0.059132 Li\n0.097873 0.666165 0.556805 Li\n0.311140 0.913239 0.941393 Li\n0.001195 0.999110 0.491112 Li\n0.996116 0.436869 0.253120 V\n0.001498 0.565177 0.750157 V\n0.566082 0.433238 0.749651 V\n0.437373 0.565560 0.253306 V\n0.568400 0.998461 0.250957 V\n0.433982 0.002911 0.746918 V\n0.681353 0.087665 0.842557 P\n0.688396 0.226005 0.343087 P\n0.223560 0.086451 0.341076 P\n0.332693 0.334656 0.131256 P\n0.331600 0.336362 0.628134 P\n0.087244 0.231114 0.845012 P\n0.917153 0.306201 0.662747 P\n0.230129 0.681503 0.841991 P\n0.773638 0.313654 0.161215 P\n0.085206 0.689315 0.342426 P\n0.915301 0.772407 0.160387 P\n0.667237 0.666936 0.368627 P\n0.664590 0.667353 0.865948 P\n0.780116 0.915259 0.661447 P\n0.308295 0.776010 0.660157 P\n0.317818 0.911000 0.160334 P\n0.797889 0.006207 0.582639 O\n0.655858 0.088717 0.329114 O\n0.768331 0.224601 0.078646 O\n0.658185 0.256290 0.827283 O\n0.520204 0.098442 0.818568 O\n0.482624 0.184248 0.167086 O\n0.379477 0.085087 0.330724 O\n0.239587 0.999331 0.071812 O\n0.252154 0.082037 0.836006 O\n0.487192 0.326517 0.669181 O\n0.530149 0.383634 0.328181 O\n0.321129 0.191243 0.664261 O\n0.323000 0.345824 0.026719 O\n0.326773 0.349627 0.523734 O\n0.182529 0.335632 0.174679 O\n0.381136 0.520525 0.820884 O\n0.336419 0.482376 0.174296 O\n0.083029 0.257861 0.328061 O\n0.983303 0.216554 0.761935 O\n0.009363 0.201236 0.583384 O\n0.012841 0.244091 0.937516 O\n0.099473 0.380919 0.819425 O\n0.186738 0.490312 0.672153 O\n0.916919 0.341748 0.159913 O\n0.084928 0.531657 0.329013 O\n0.256943 0.657318 0.328742 O\n0.801187 0.213793 0.257562 O\n0.767298 0.214278 0.434540 O\n0.204844 0.787502 0.580480 O\n0.742569 0.342026 0.660265 O\n0.920944 0.462688 0.671377 O\n0.084596 0.659692 0.833743 O\n0.813406 0.515287 0.322008 O\n0.907697 0.619343 0.178846 O\n0.013020 0.762537 0.078356 O\n0.019206 0.769447 0.434046 O\n0.988965 0.800546 0.256739 O\n0.920302 0.740792 0.661784 O\n0.659520 0.522358 0.817690 O\n0.619750 0.473133 0.178013 O\n0.815865 0.660016 0.818769 O\n0.669148 0.657552 0.969543 O\n0.667820 0.654314 0.472010 O\n0.672993 0.808528 0.326395 O\n0.463831 0.616745 0.670747 O\n0.517163 0.667441 0.322458 O\n0.746595 0.915585 0.158978 O\n0.802496 0.984264 0.760936 O\n0.741645 0.018736 0.935659 O\n0.623207 0.916603 0.668597 O\n0.515266 0.816904 0.828462 O\n0.476361 0.903783 0.177674 O\n0.340667 0.742077 0.159524 O\n0.244482 0.749978 0.932836 O\n0.213949 0.799270 0.758853 O\n0.343372 0.914444 0.659996 O\n0.201395 0.018932 0.430430 O\n0.206390 0.994131 0.250692 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.513990774545235,
"density_atomic": 0.0746494447558799,
"volume": 1178.8433294819454,
"volume_molar": 8.067227800144696,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -670.0899166600001,
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"spacegroup": 1
},
{
"id": "mp-1206281",
"created_at": "2022-09-04T14:43:13.042013Z",
"structure_string": "Li2 Al2 Au2\n1.0\n-2.183916 -3.782654 0.000000\n-2.183916 3.782654 0.000000\n0.000000 0.000000 -5.539757\nLi Al Au\n2 2 2\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 6,
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"elements": [
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"Al",
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],
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"density": 8.37778632494679,
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"volume": 91.5278495658329,
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"formula_full": "Li2 Al2 Au2",
"formula_reduced": "LiAlAu",
"formula_anonymous": "ABC",
"energy": -19.90717154,
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"updated_at": "2021-11-28T01:36:11.283000Z",
"spacegroup": 194
},
{
"id": "mp-1174702",
"created_at": "2022-09-04T14:43:13.045558Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.950143 0.000000 0.000000\n-1.148230 9.705367 0.000000\n-0.478201 -4.217092 8.872226\nLi Mn Co O\n8 2 4 14\ndirect\n0.927786 0.865224 0.219291 Li\n0.203819 0.416334 0.351335 Li\n0.508643 0.006180 0.503325 Li\n0.782387 0.565260 0.639634 Li\n0.082226 0.147699 0.784621 Li\n0.360174 0.714264 0.927846 Li\n0.628520 0.283094 0.079750 Li\n0.586695 0.151609 0.284588 Li\n0.001549 0.008186 0.011287 Mn\n0.286571 0.569698 0.140639 Mn\n0.855789 0.712312 0.428900 Co\n0.138165 0.277745 0.558637 Co\n0.421375 0.856653 0.715888 Co\n0.718989 0.425046 0.852206 Co\n0.483228 0.936716 0.095262 O\n0.715141 0.506458 0.248724 O\n0.043271 0.092355 0.415746 O\n0.317564 0.652333 0.530349 O\n0.580814 0.224847 0.679638 O\n0.879634 0.798512 0.821882 O\n0.195035 0.367833 0.961316 O\n0.401072 0.777226 0.322105 O\n0.702479 0.352405 0.474013 O\n0.968781 0.920853 0.615433 O\n0.238349 0.478289 0.738328 O\n0.510558 0.060786 0.905109 O\n0.861202 0.632925 0.028328 O\n0.100185 0.199155 0.165819 O\n",
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],
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"volume": 254.0315313129284,
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"formula_full": "Li8 Mn2 Co4 O14",
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"spacegroup": 1
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{
"id": "mp-1183459",
"created_at": "2022-09-04T14:43:13.061763Z",
"structure_string": "Ca2 Zn1 Cd1\n1.0\n0.000000 3.770265 3.770265\n3.770265 0.000000 3.770265\n3.770265 3.770265 0.000000\nCa Zn Cd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Cd\n",
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"spacegroup": 225
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{
"id": "mp-1194828",
"created_at": "2022-09-04T14:43:13.062787Z",
"structure_string": "Si34 O74\n1.0\n7.005589 12.269879 0.000000\n-7.005589 12.269879 0.000000\n0.000000 4.043159 11.738868\nSi O\n34 74\ndirect\n0.515035 0.096934 0.754584 Si\n0.096934 0.515035 0.754584 Si\n0.484965 0.903066 0.245416 Si\n0.903066 0.484965 0.245416 Si\n0.521253 0.103602 0.497384 Si\n0.103602 0.521253 0.497384 Si\n0.478747 0.896398 0.502616 Si\n0.896398 0.478747 0.502616 Si\n0.526700 0.116562 0.129919 Si\n0.116562 0.526700 0.129919 Si\n0.473300 0.883438 0.870081 Si\n0.883438 0.473300 0.870081 Si\n0.682619 0.056336 0.902420 Si\n0.056336 0.682619 0.902420 Si\n0.317381 0.943664 0.097580 Si\n0.943664 0.317381 0.097580 Si\n0.690220 0.080733 0.274775 Si\n0.080733 0.690220 0.274775 Si\n0.309780 0.919267 0.725225 Si\n0.919267 0.309780 0.725225 Si\n0.272210 0.272210 0.202555 Si\n0.727790 0.727790 0.797445 Si\n0.716942 0.716942 0.184165 Si\n0.283058 0.283058 0.815835 Si\n0.815977 0.815977 0.301994 Si\n0.184023 0.184023 0.698006 Si\n0.722173 0.722173 0.542749 Si\n0.277827 0.277827 0.457251 Si\n0.798537 0.798537 0.945162 Si\n0.201463 0.201463 0.054838 Si\n0.110238 0.882141 0.871678 Si\n0.882141 0.110238 0.871678 Si\n0.889762 0.117859 0.128322 Si\n0.117859 0.889762 0.128322 Si\n0.416788 0.222982 0.770788 O\n0.222982 0.416788 0.770788 O\n0.583212 0.777018 0.229212 O\n0.777018 0.583212 0.229212 O\n0.625112 0.071692 0.797972 O\n0.071692 0.625112 0.797972 O\n0.374888 0.928308 0.202028 O\n0.928308 0.374888 0.202028 O\n0.549293 0.091263 0.619569 O\n0.091263 0.549293 0.619569 O\n0.450707 0.908737 0.380431 O\n0.908737 0.450707 0.380431 O\n0.470567 0.005369 0.822236 O\n0.005369 0.470567 0.822236 O\n0.529433 0.994631 0.177764 O\n0.994631 0.529433 0.177764 O\n0.409306 0.219028 0.467335 O\n0.219028 0.409306 0.467335 O\n0.590694 0.780972 0.532665 O\n0.780972 0.590694 0.532665 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.631385 0.100065 0.405803 O\n0.100065 0.631385 0.405803 O\n0.368615 0.899935 0.594197 O\n0.899935 0.368615 0.594197 O\n0.585911 0.127344 0.997581 O\n0.127344 0.585911 0.997581 O\n0.414089 0.872656 0.002419 O\n0.872656 0.414089 0.002419 O\n0.399950 0.215114 0.139515 O\n0.215114 0.399950 0.139515 O\n0.600050 0.784886 0.860485 O\n0.784886 0.600050 0.860485 O\n0.589309 0.140035 0.202705 O\n0.140035 0.589309 0.202705 O\n0.410691 0.859965 0.797295 O\n0.859965 0.410691 0.797295 O\n0.739133 0.926597 0.962517 O\n0.926597 0.739133 0.962517 O\n0.260867 0.073403 0.037483 O\n0.073403 0.260867 0.037483 O\n0.761559 0.949299 0.266550 O\n0.949299 0.761559 0.266550 O\n0.238441 0.050701 0.733450 O\n0.050701 0.238441 0.733450 O\n0.209822 0.209822 0.180575 O\n0.790178 0.790178 0.819425 O\n0.263337 0.263337 0.338302 O\n0.736663 0.736663 0.661698 O\n0.736464 0.736464 0.045691 O\n0.263536 0.263536 0.954309 O\n0.772053 0.772053 0.229396 O\n0.227947 0.227947 0.770604 O\n0.783500 0.783500 0.439203 O\n0.216500 0.216500 0.560797 O\n0.223145 0.868020 0.778980 O\n0.868020 0.223145 0.778980 O\n0.776855 0.131980 0.221020 O\n0.131980 0.776855 0.221020 O\n0.092164 0.781156 0.859418 O\n0.781156 0.092164 0.859418 O\n0.907836 0.218844 0.140582 O\n0.218844 0.907836 0.140582 O\n0.870413 0.129587 0.000000 O\n0.129587 0.870413 0.000000 O\n0.003402 0.003402 0.840523 O\n0.996598 0.996598 0.159477 O\n0.220787 0.723917 0.408648 O\n0.723917 0.220787 0.408648 O\n0.779213 0.276083 0.591352 O\n0.276083 0.779213 0.591352 O\n0.429187 0.429187 0.415932 O\n0.570813 0.570813 0.584068 O\n",
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"formula_full": "Si34 O74",
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{
"id": "mp-989515",
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"structure_string": "La1 Mo1 N3\n1.0\n3.898316 0.000000 0.000000\n0.000000 3.898316 0.000000\n0.000000 0.000000 4.659750\nLa Mo N\n1 1 3\ndirect\n0.500000 0.500000 0.362882 La\n0.000000 0.000000 0.806001 Mo\n0.000000 0.500000 0.689366 N\n0.000000 0.000000 0.188664 N\n0.500000 0.000000 0.689366 N\n",
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"formula_full": "La1 Mo1 N3",
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{
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{
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{
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"structure_string": "Ba8 Ga6 Ge40\n1.0\n11.048584 0.000000 0.000000\n0.000000 11.048584 0.000000\n0.000000 0.000000 11.048584\nBa Ga Ge\n8 6 40\ndirect\n0.250000 0.000000 0.500000 Ba\n0.750000 0.000000 0.500000 Ba\n0.500000 0.250000 0.000000 Ba\n0.500000 0.750000 0.000000 Ba\n0.000000 0.500000 0.250000 Ba\n0.000000 0.500000 0.750000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.500000 0.000000 Ga\n0.750000 0.500000 0.000000 Ga\n0.000000 0.250000 0.500000 Ga\n0.000000 0.750000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.500000 0.000000 0.750000 Ga\n0.000000 0.118615 0.308618 Ge\n0.000000 0.881385 0.691382 Ge\n0.000000 0.881385 0.308618 Ge\n0.000000 0.118615 0.691382 Ge\n0.308618 0.000000 0.118615 Ge\n0.618615 0.500000 0.191382 Ge\n0.691382 0.000000 0.881385 Ge\n0.381385 0.500000 0.808618 Ge\n0.308618 0.000000 0.881385 Ge\n0.381385 0.500000 0.191382 Ge\n0.691382 0.000000 0.118615 Ge\n0.618615 0.500000 0.808618 Ge\n0.118615 0.308618 0.000000 Ge\n0.500000 0.808618 0.381385 Ge\n0.881385 0.691382 0.000000 Ge\n0.500000 0.191382 0.618615 Ge\n0.118615 0.691382 0.000000 Ge\n0.500000 0.191382 0.381385 Ge\n0.881385 0.308618 0.000000 Ge\n0.500000 0.808618 0.618615 Ge\n0.191382 0.618615 0.500000 Ge\n0.808618 0.381385 0.500000 Ge\n0.191382 0.381385 0.500000 Ge\n0.808618 0.618615 0.500000 Ge\n0.184561 0.184561 0.184561 Ge\n0.815439 0.815439 0.815439 Ge\n0.815439 0.815439 0.184561 Ge\n0.815439 0.184561 0.815439 Ge\n0.684561 0.684561 0.315439 Ge\n0.184561 0.184561 0.815439 Ge\n0.184561 0.815439 0.184561 Ge\n0.315439 0.315439 0.684561 Ge\n0.184561 0.815439 0.815439 Ge\n0.315439 0.315439 0.315439 Ge\n0.815439 0.184561 0.184561 Ge\n0.684561 0.684561 0.684561 Ge\n0.684561 0.315439 0.684561 Ge\n0.315439 0.684561 0.315439 Ge\n0.315439 0.684561 0.684561 Ge\n0.684561 0.315439 0.315439 Ge\n",
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"formula_full": "Ba8 Ga6 Ge40",
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{
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"structure_string": "Li2 Mn2 Cu2 O8\n1.0\n-2.885333 2.925748 4.223729\n2.885333 -2.925748 4.223729\n2.885333 2.925748 -4.223729\nLi Mn Cu O\n2 2 2 8\ndirect\n0.129308 0.379308 0.750000 Li\n0.870692 0.620692 0.250000 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.272107 0.795038 0.022931 O\n0.281514 0.250842 0.030672 O\n0.720170 0.250842 0.469328 O\n0.272107 0.249176 0.477069 O\n0.727893 0.750824 0.522931 O\n0.718486 0.749158 0.969328 O\n0.279830 0.749158 0.530672 O\n0.727893 0.204962 0.977069 O\n",
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{
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"structure_string": "Ce1 Mg14 Sb1\n1.0\n6.421629 0.000000 0.000000\n-3.210815 5.561293 -0.000000\n0.000000 0.000000 10.552706\nCe Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.179204 0.839602 0.125000 Mg\n0.159992 0.829995 0.625000 Mg\n0.660398 0.320796 0.125000 Mg\n0.670005 0.340008 0.625000 Mg\n0.660398 0.839602 0.125000 Mg\n0.670005 0.829995 0.625000 Mg\n0.332955 0.167045 0.378890 Mg\n0.332955 0.167045 0.871110 Mg\n0.332955 0.665911 0.378890 Mg\n0.332955 0.665911 0.871110 Mg\n0.834089 0.167045 0.378890 Mg\n0.834089 0.167045 0.871110 Mg\n0.833333 0.666667 0.361469 Mg\n0.833333 0.666667 0.888531 Mg\n0.166667 0.333333 0.625000 Sb\n",
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}