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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10131",
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"results": [
{
"id": "mp-1226328",
"created_at": "2022-09-04T14:43:13.823183Z",
"structure_string": "Cr4 Te3 S1\n1.0\n-2.001407 3.431198 6.338160\n2.001407 -3.431198 6.338160\n2.001407 3.431198 -6.338160\nCr Te S\n4 3 1\ndirect\n0.096196 0.122496 0.973699 Cr\n0.643577 0.616244 0.027333 Cr\n0.411089 0.383756 0.027333 Cr\n0.851203 0.877504 0.973699 Cr\n0.162437 0.500000 0.662437 Te\n0.095046 0.760822 0.334224 Te\n0.573402 0.239178 0.334224 Te\n0.674296 0.000000 0.674296 S\n",
"nsites": 8,
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"elements": [
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"Te",
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"density": 5.940565158667014,
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"volume": 174.10225015366146,
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"formula_full": "Cr4 Te3 S1",
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},
{
"id": "mp-1246725",
"created_at": "2022-09-04T14:45:15.865956Z",
"structure_string": "Cr16 Te12 N8\n1.0\n6.495300 0.000000 -0.000000\n0.000000 10.646260 0.000000\n-0.000000 0.000000 9.849614\nCr Te N\n16 12 8\ndirect\n0.587945 0.250000 0.879884 Cr\n0.087945 0.250000 0.620116 Cr\n0.412055 0.750000 0.120116 Cr\n0.912055 0.750000 0.379884 Cr\n0.802920 0.250000 0.413238 Cr\n0.302920 0.250000 0.086762 Cr\n0.197080 0.750000 0.586762 Cr\n0.697080 0.750000 0.913238 Cr\n0.690356 0.474384 0.067238 Cr\n0.190356 0.025616 0.432762 Cr\n0.309644 0.974384 0.932762 Cr\n0.809644 0.525616 0.567238 Cr\n0.309644 0.525616 0.932762 Cr\n0.809644 0.974384 0.567238 Cr\n0.690356 0.025616 0.067238 Cr\n0.190356 0.474384 0.432762 Cr\n0.886932 0.250000 0.147967 Te\n0.386932 0.250000 0.352033 Te\n0.113068 0.750000 0.852033 Te\n0.613068 0.750000 0.647967 Te\n0.575762 0.570345 0.324566 Te\n0.075762 0.929655 0.175434 Te\n0.424238 0.070345 0.675434 Te\n0.924238 0.429655 0.824566 Te\n0.424238 0.429655 0.675434 Te\n0.924238 0.070345 0.824566 Te\n0.575762 0.929655 0.324566 Te\n0.075762 0.570345 0.175434 Te\n0.549080 0.623091 0.998007 N\n0.049080 0.876909 0.501993 N\n0.450920 0.123091 0.001993 N\n0.950920 0.376909 0.498007 N\n0.450920 0.376909 0.001993 N\n0.950920 0.123091 0.498007 N\n0.549080 0.876909 0.998007 N\n0.049080 0.623091 0.501993 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cr",
"Te",
"N"
],
"chemical_system": "Cr-N-Te",
"density": 6.034514785958065,
"density_atomic": 0.052855113131800684,
"volume": 681.107235741405,
"volume_molar": 11.393676795247902,
"formula_full": "Cr16 Te12 N8",
"formula_reduced": "Cr4Te3N2",
"formula_anonymous": "A2B3C4",
"energy": -271.64285989,
"energy_per_atom": -7.545634996944445,
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"updated_at": "2021-11-28T01:36:56.686000Z",
"spacegroup": 62
},
{
"id": "mp-768078",
"created_at": "2022-09-04T14:40:35.818785Z",
"structure_string": "Cr8 Si8 O26\n1.0\n6.978757 0.000000 0.000000\n1.426275 7.646843 0.000000\n1.279244 3.635379 9.176351\nCr Si O\n8 8 26\ndirect\n0.571850 0.197947 0.992582 Cr\n0.925438 0.806866 0.008683 Cr\n0.062262 0.559125 0.620091 Cr\n0.562255 0.548732 0.628123 Cr\n0.437745 0.451268 0.371877 Cr\n0.937738 0.440875 0.379909 Cr\n0.074562 0.193134 0.991317 Cr\n0.428150 0.802053 0.007418 Cr\n0.262414 0.579652 0.833083 Si\n0.716722 0.855488 0.718500 Si\n0.369343 0.147285 0.711033 Si\n0.927738 0.165544 0.701496 Si\n0.072262 0.834456 0.298504 Si\n0.630657 0.852715 0.288967 Si\n0.283278 0.144512 0.281500 Si\n0.737586 0.420348 0.166917 Si\n0.090716 0.449767 0.846866 O\n0.197055 0.722115 0.922443 O\n0.490152 0.464143 0.850381 O\n0.742827 0.767984 0.893415 O\n0.354797 0.103271 0.889131 O\n0.897759 0.102008 0.879929 O\n0.448353 0.342765 0.602515 O\n0.843291 0.388013 0.607262 O\n0.285833 0.679512 0.651119 O\n0.750756 0.705607 0.640264 O\n0.157156 0.164094 0.658472 O\n0.492698 0.961392 0.690174 O\n0.856258 0.020825 0.644735 O\n0.143742 0.979175 0.355265 O\n0.507302 0.038608 0.309826 O\n0.842844 0.835906 0.341528 O\n0.249244 0.294393 0.359736 O\n0.714167 0.320488 0.348881 O\n0.156709 0.611987 0.392738 O\n0.551647 0.657235 0.397485 O\n0.102241 0.897992 0.120071 O\n0.645203 0.896729 0.110869 O\n0.257173 0.232016 0.106585 O\n0.509848 0.535857 0.149619 O\n0.802945 0.277885 0.077557 O\n0.909284 0.550233 0.153134 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.582982826564168,
"density_atomic": 0.08576676375267937,
"volume": 489.7001841075986,
"volume_molar": 7.021531997366366,
"formula_full": "Cr8 Si8 O26",
"formula_reduced": "Cr4Si4O13",
"formula_anonymous": "A4B4C13",
"energy": -363.81032559,
"energy_per_atom": -8.662150609285714,
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"updated_at": "2021-11-28T01:35:07.204000Z",
"spacegroup": 2
},
{
"id": "mp-556318",
"created_at": "2022-09-04T14:46:41.869692Z",
"structure_string": "Cr16 Si8 Cl8 O28\n1.0\n12.957043 0.000000 0.000000\n0.000000 6.510104 0.000000\n0.000000 0.375577 10.639561\nCr Si Cl O\n16 8 8 28\ndirect\n0.232856 0.547787 0.921161 Cr\n0.113656 0.148400 0.594998 Cr\n0.967890 0.814353 0.408622 Cr\n0.128092 0.180276 0.102960 Cr\n0.627233 0.217727 0.613343 Cr\n0.542137 0.558373 0.813349 Cr\n0.871908 0.180276 0.602960 Cr\n0.362089 0.214719 0.615809 Cr\n0.275941 0.819577 0.421577 Cr\n0.637911 0.214719 0.115809 Cr\n0.032110 0.814353 0.908622 Cr\n0.767144 0.547787 0.421161 Cr\n0.724059 0.819577 0.921577 Cr\n0.457863 0.558373 0.313349 Cr\n0.886344 0.148400 0.094998 Cr\n0.372767 0.217727 0.113343 Cr\n0.739357 0.056875 0.355252 Si\n0.260643 0.056875 0.855252 Si\n0.504469 0.064625 0.872823 Si\n0.001412 0.321218 0.357019 Si\n0.239136 0.324014 0.364017 Si\n0.760864 0.324014 0.864017 Si\n0.495531 0.064625 0.372823 Si\n0.998588 0.321218 0.857019 Si\n0.116632 0.814676 0.233568 Cl\n0.875643 0.754522 0.060239 Cl\n0.124357 0.754522 0.560239 Cl\n0.627152 0.572804 0.211176 Cl\n0.616664 0.625638 0.547937 Cl\n0.383336 0.625638 0.047937 Cl\n0.883368 0.814676 0.733568 Cl\n0.372848 0.572804 0.711176 Cl\n0.000929 0.249543 0.712393 O\n0.506289 0.155166 0.014865 O\n0.192854 0.852682 0.891005 O\n0.737415 0.130015 0.967669 O\n0.075352 0.509868 0.890645 O\n0.771914 0.172879 0.222184 O\n0.119362 0.386024 0.396524 O\n0.574841 0.860000 0.855445 O\n0.539236 0.249176 0.771347 O\n0.252203 0.224248 0.970632 O\n0.019065 0.123312 0.961083 O\n0.493711 0.155166 0.514865 O\n0.460764 0.249176 0.271347 O\n0.244314 0.251593 0.220148 O\n0.313577 0.517835 0.393619 O\n0.747797 0.224248 0.470632 O\n0.228086 0.172879 0.722184 O\n0.262585 0.130015 0.467669 O\n0.686423 0.517835 0.893619 O\n0.924648 0.509868 0.390645 O\n0.999071 0.249543 0.212393 O\n0.980935 0.123312 0.461083 O\n0.425159 0.860000 0.355445 O\n0.807146 0.852682 0.391005 O\n0.755686 0.251593 0.720148 O\n0.615972 0.009337 0.334668 O\n0.384028 0.009337 0.834668 O\n0.880638 0.386024 0.896524 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
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"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Si",
"density": 3.308679091836903,
"density_atomic": 0.06685497256591516,
"volume": 897.4650306055162,
"volume_molar": 9.007767902473544,
"formula_full": "Cr16 Si8 Cl8 O28",
"formula_reduced": "Cr4Si2Cl2O7",
"formula_anonymous": "A2B2C4D7",
"energy": -496.03139169,
"energy_per_atom": -8.2671898615,
"energy_above_hull": null,
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"energy_uncorrected": -439.89939169,
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"updated_at": "2021-11-28T01:37:48.247000Z",
"spacegroup": 7
},
{
"id": "mp-557963",
"created_at": "2022-09-04T14:43:59.583094Z",
"structure_string": "Cr16 Si8 Br8 O28\n1.0\n13.070691 0.000000 0.000000\n0.000000 6.550929 0.000000\n0.000000 0.298079 10.704774\nCr Si Br O\n16 8 8 28\ndirect\n0.887340 0.155997 0.092545 Cr\n0.112660 0.155997 0.592545 Cr\n0.638378 0.189479 0.117006 Cr\n0.722794 0.821494 0.918734 Cr\n0.277206 0.821494 0.418734 Cr\n0.627909 0.216233 0.614639 Cr\n0.361622 0.189479 0.617006 Cr\n0.372091 0.216233 0.114639 Cr\n0.767834 0.548788 0.417626 Cr\n0.232166 0.548788 0.917626 Cr\n0.128526 0.191535 0.099610 Cr\n0.963296 0.816824 0.410826 Cr\n0.455476 0.556866 0.317356 Cr\n0.871474 0.191535 0.599610 Cr\n0.036704 0.816824 0.910826 Cr\n0.544524 0.556866 0.817356 Cr\n0.239137 0.324583 0.362685 Si\n0.998726 0.322677 0.855091 Si\n0.001274 0.322677 0.355091 Si\n0.505040 0.065925 0.873297 Si\n0.494960 0.065925 0.373297 Si\n0.760863 0.324583 0.862685 Si\n0.739018 0.059255 0.353336 Si\n0.260982 0.059255 0.853336 Si\n0.121985 0.802478 0.222550 Br\n0.121638 0.744206 0.568930 Br\n0.368478 0.578297 0.705974 Br\n0.631522 0.578297 0.205974 Br\n0.386987 0.644854 0.053393 Br\n0.878015 0.802478 0.722550 Br\n0.878362 0.744206 0.068930 Br\n0.613013 0.644854 0.553393 Br\n0.226589 0.167294 0.720003 O\n0.263400 0.131381 0.464385 O\n0.021624 0.127534 0.958089 O\n0.000146 0.253238 0.710392 O\n0.804131 0.854052 0.389027 O\n0.195869 0.854052 0.889027 O\n0.504784 0.149097 0.016873 O\n0.119155 0.379027 0.396306 O\n0.384918 0.024023 0.827574 O\n0.252821 0.226748 0.968325 O\n0.978376 0.127534 0.458089 O\n0.880845 0.379027 0.896306 O\n0.243652 0.255733 0.218376 O\n0.615082 0.024023 0.327574 O\n0.688890 0.519960 0.892726 O\n0.455239 0.248559 0.276053 O\n0.311110 0.519960 0.392726 O\n0.999854 0.253238 0.210392 O\n0.925288 0.511388 0.389194 O\n0.773411 0.167294 0.220003 O\n0.747179 0.226748 0.468325 O\n0.756348 0.255733 0.718376 O\n0.426856 0.859973 0.356482 O\n0.074712 0.511388 0.889194 O\n0.495216 0.149097 0.516873 O\n0.544761 0.248559 0.776053 O\n0.736600 0.131381 0.964385 O\n0.573144 0.859973 0.856482 O\n",
"nsites": 60,
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"elements": [
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"O"
],
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"density": 3.883844879186213,
"density_atomic": 0.06545944325766026,
"volume": 916.5980798802259,
"volume_molar": 9.199804428974074,
"formula_full": "Cr16 Si8 Br8 O28",
"formula_reduced": "Cr4Si2Br2O7",
"formula_anonymous": "A2B2C4D7",
"energy": -489.87079395000006,
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"updated_at": "2021-11-28T01:36:09.846000Z",
"spacegroup": 7
},
{
"id": "mp-1226292",
"created_at": "2022-09-04T14:39:38.648650Z",
"structure_string": "Cr4 Se3 S3\n1.0\n5.833658 -3.072910 0.000000\n5.833658 3.072910 0.000000\n4.214987 0.000000 5.070329\nCr Se S\n4 3 3\ndirect\n0.994019 0.994019 0.994019 Cr\n0.508944 0.508944 0.508944 Cr\n0.324585 0.324585 0.324585 Cr\n0.663731 0.663731 0.663731 Cr\n0.749437 0.411705 0.087299 Se\n0.411705 0.087299 0.749437 Se\n0.087299 0.749437 0.411705 Se\n0.263964 0.591053 0.905264 S\n0.591053 0.905264 0.263964 S\n0.905264 0.263964 0.591053 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cr-S-Se",
"density": 4.942391024944994,
"density_atomic": 0.055010179018172775,
"volume": 181.78453839782034,
"volume_molar": 10.94732078223299,
"formula_full": "Cr4 Se3 S3",
"formula_reduced": "Cr4(SeS)3",
"formula_anonymous": "A3B3C4",
"energy": -70.49789774999999,
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"updated_at": "2021-11-28T01:34:23.927000Z",
"spacegroup": 146
},
{
"id": "mp-1245634",
"created_at": "2022-09-04T14:46:09.800307Z",
"structure_string": "Cr16 Se12 N8\n1.0\n6.077127 0.000000 0.000000\n0.000000 10.398806 0.000000\n0.000000 0.000000 9.209643\nCr Se N\n16 12 8\ndirect\n0.579358 0.250000 0.866927 Cr\n0.079358 0.250000 0.633073 Cr\n0.420642 0.750000 0.133073 Cr\n0.920642 0.750000 0.366927 Cr\n0.795216 0.250000 0.400492 Cr\n0.295216 0.250000 0.099508 Cr\n0.204784 0.750000 0.599508 Cr\n0.704784 0.750000 0.900492 Cr\n0.708917 0.473324 0.072631 Cr\n0.208917 0.026676 0.427369 Cr\n0.291083 0.973324 0.927369 Cr\n0.791083 0.526676 0.572631 Cr\n0.291083 0.526676 0.927369 Cr\n0.791083 0.973324 0.572631 Cr\n0.708917 0.026676 0.072631 Cr\n0.208917 0.473324 0.427369 Cr\n0.889206 0.250000 0.144394 Se\n0.389206 0.250000 0.355606 Se\n0.110794 0.750000 0.855606 Se\n0.610794 0.750000 0.644394 Se\n0.585466 0.570340 0.324407 Se\n0.085466 0.929660 0.175593 Se\n0.414534 0.070340 0.675593 Se\n0.914534 0.429660 0.824407 Se\n0.414534 0.429660 0.675593 Se\n0.914534 0.070340 0.824407 Se\n0.585466 0.929660 0.324407 Se\n0.085466 0.570340 0.175593 Se\n0.553617 0.622590 0.995156 N\n0.053617 0.877410 0.504844 N\n0.446383 0.122590 0.004844 N\n0.946383 0.377410 0.495156 N\n0.446383 0.377410 0.004844 N\n0.946383 0.122590 0.495156 N\n0.553617 0.877410 0.995156 N\n0.053617 0.622590 0.504844 N\n",
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"elements": [
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],
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"volume": 582.0021434157325,
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"formula_full": "Cr16 Se12 N8",
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"updated_at": "2021-11-28T01:37:17.686000Z",
"spacegroup": 62
},
{
"id": "mp-1246868",
"created_at": "2022-09-04T14:42:54.632450Z",
"structure_string": "Cr8 Se6 N4\n1.0\n6.500931 0.000000 0.000000\n0.000000 13.080889 0.000000\n0.000000 0.000000 3.364530\nCr Se N\n8 6 4\ndirect\n0.685397 0.936177 0.500000 Cr\n0.314603 0.063823 0.500000 Cr\n0.185397 0.563823 0.000000 Cr\n0.814603 0.436177 0.000000 Cr\n0.798439 0.642195 0.500000 Cr\n0.201561 0.357805 0.500000 Cr\n0.298439 0.857805 0.000000 Cr\n0.701561 0.142195 0.000000 Cr\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.843683 0.281554 0.500000 Se\n0.156317 0.718446 0.500000 Se\n0.343683 0.218446 0.000000 Se\n0.656317 0.781554 0.000000 Se\n0.616138 0.078561 0.500000 N\n0.383862 0.921439 0.500000 N\n0.116138 0.421439 0.000000 N\n0.883862 0.578561 0.000000 N\n",
"nsites": 18,
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"elements": [
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"Se",
"N"
],
"chemical_system": "Cr-N-Se",
"density": 5.488969239684461,
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