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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=62",
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"results": [
{
"id": "mp-771940",
"created_at": "2022-09-04T14:43:20.591969Z",
"structure_string": "Cr1 Ni5 P6 O24\n1.0\n7.286200 -4.304587 0.000000\n7.286200 4.304587 0.000000\n4.743109 0.000000 7.008644\nCr Ni P O\n1 5 6 24\ndirect\n0.858366 0.858366 0.858366 Cr\n0.001292 0.001292 0.001292 Ni\n0.359389 0.359389 0.359389 Ni\n0.500363 0.500363 0.500363 Ni\n0.142104 0.142104 0.142104 Ni\n0.641561 0.641561 0.641561 Ni\n0.749723 0.044497 0.455687 P\n0.044497 0.455687 0.749723 P\n0.455687 0.749723 0.044497 P\n0.546528 0.250240 0.953376 P\n0.953376 0.546528 0.250240 P\n0.250240 0.953376 0.546528 P\n0.893556 0.493110 0.675668 O\n0.493110 0.675668 0.893556 O\n0.675668 0.893556 0.493110 O\n0.907708 0.057081 0.257214 O\n0.825793 0.993947 0.613963 O\n0.594806 0.242548 0.450701 O\n0.057081 0.257214 0.907708 O\n0.242548 0.450701 0.594806 O\n0.393457 0.180367 0.988274 O\n0.450701 0.594806 0.242548 O\n0.749134 0.089021 0.932710 O\n0.988274 0.393457 0.180367 O\n0.993947 0.613963 0.825793 O\n0.257214 0.907708 0.057081 O\n0.562553 0.405286 0.752461 O\n0.613963 0.825793 0.993947 O\n0.752461 0.562553 0.405286 O\n0.932710 0.749134 0.089021 O\n0.405286 0.752461 0.562553 O\n0.180367 0.988274 0.393457 O\n0.089021 0.932710 0.749134 O\n0.314709 0.108019 0.514800 O\n0.514800 0.314709 0.108019 O\n0.108019 0.514800 0.314709 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Cr",
"Ni",
"P",
"O"
],
"chemical_system": "Cr-Ni-O-P",
"density": 3.4570992205087676,
"density_atomic": 0.08188529660073611,
"volume": 439.63936743774804,
"volume_molar": 7.35436153985411,
"formula_full": "Cr1 Ni5 P6 O24",
"formula_reduced": "CrNi5(PO4)6",
"formula_anonymous": "AB5C6D24",
"energy": -263.43867686,
"energy_per_atom": -7.317741023888889,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -232.24667686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.462000Z",
"spacegroup": 146
},
{
"id": "mp-754949",
"created_at": "2022-09-04T14:44:13.993637Z",
"structure_string": "Li8 Mn4 Si8 O24\n1.0\n-0.001434 -0.000864 7.305300\n-9.843450 3.692293 0.001553\n0.000970 -7.382249 0.000529\nLi Mn Si O\n8 4 8 24\ndirect\n0.721327 0.835122 0.191072 Li\n0.221324 0.835114 0.691091 Li\n0.471312 0.663970 0.355604 Li\n0.971292 0.663977 0.855631 Li\n0.471281 0.335033 0.644804 Li\n0.971266 0.335003 0.144734 Li\n0.721079 0.163930 0.809171 Li\n0.221080 0.163940 0.309151 Li\n0.217093 0.499570 0.500385 Mn\n0.466977 0.999421 0.500076 Mn\n0.717122 0.499571 0.000404 Mn\n0.966963 0.999432 0.000155 Mn\n0.286980 0.832461 0.101360 Si\n0.786997 0.832497 0.601376 Si\n0.537302 0.666866 0.768615 Si\n0.037237 0.666870 0.268592 Si\n0.536861 0.332085 0.231737 Si\n0.036860 0.332072 0.731747 Si\n0.286796 0.166675 0.898975 Si\n0.786793 0.166693 0.398986 Si\n0.315878 0.982757 0.259804 O\n0.815849 0.982788 0.759895 O\n0.567053 0.516514 0.776084 O\n0.066765 0.516531 0.276050 O\n0.565969 0.482397 0.224088 O\n0.065958 0.482405 0.724113 O\n0.316142 0.016422 0.740584 O\n0.816112 0.016444 0.240626 O\n0.131724 0.825778 0.939225 O\n0.631742 0.825818 0.439264 O\n0.881811 0.673484 0.113263 O\n0.381835 0.673471 0.613275 O\n0.881129 0.325305 0.886787 O\n0.381135 0.325320 0.386793 O\n0.131191 0.173152 0.060730 O\n0.631149 0.173163 0.560707 O\n0.237619 0.725389 0.219133 O\n0.737648 0.725447 0.719173 O\n0.487699 0.774154 0.993466 O\n0.987682 0.774154 0.493435 O\n0.487211 0.225140 0.006886 O\n0.987214 0.225138 0.506882 O\n0.237610 0.273763 0.781196 O\n0.737603 0.273765 0.281191 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.765183965208781,
"density_atomic": 0.0828895948305597,
"volume": 530.8265782930102,
"volume_molar": 7.265255394612882,
"formula_full": "Li8 Mn4 Si8 O24",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -338.89369226,
"energy_per_atom": -7.702129369545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -315.73369226,
"band_gap": 3.4868999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.264000Z",
"spacegroup": 43
},
{
"id": "mp-1517467",
"created_at": "2022-09-04T14:44:12.510489Z",
"structure_string": "Ca1 Zr1 Nb1 In1 O6\n1.0\n0.000000 -4.129911 -4.129911\n4.129911 -0.000000 -4.129911\n4.129911 -4.129911 0.000000\nCa Zr Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 In\n0.755802 0.244198 0.244198 O\n0.244198 0.755802 0.755802 O\n0.755802 0.244198 0.755802 O\n0.244198 0.755802 0.244198 O\n0.755802 0.755802 0.244198 O\n0.244198 0.244198 0.755802 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Zr",
"Nb",
"In",
"O"
],
"chemical_system": "Ca-In-Nb-O-Zr",
"density": 5.127539601195797,
"density_atomic": 0.07098195005223955,
"volume": 140.88088581168094,
"volume_molar": 8.484045247514295,
"formula_full": "Ca1 Zr1 Nb1 In1 O6",
"formula_reduced": "CaZrNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -82.38177242999998,
"energy_per_atom": -8.238177242999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -78.25977243,
"band_gap": 0.5202,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.074000Z",
"spacegroup": 216
},
{
"id": "mp-1233629",
"created_at": "2022-09-04T14:43:41.145907Z",
"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n4.456591 -0.172156 -0.088258\n-0.009961 10.427266 1.531990\n-0.380726 -0.162471 11.309258\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.199412 0.392663 0.296244 Mg\n0.964399 0.602943 0.179221 Au\n0.031697 0.971294 0.983369 Au\n0.012563 0.402044 0.828289 Au\n0.969040 0.040561 0.482543 Au\n0.759858 0.887209 0.258736 Se\n0.205979 0.690587 0.912453 Se\n0.842138 0.227942 0.086440 Se\n0.286397 0.134057 0.736327 Se\n0.311146 0.494943 0.679044 Cl\n0.697278 0.495015 0.342126 Cl\n0.306887 0.220009 0.450770 Cl\n0.648045 0.868057 0.527177 Cl\n0.704835 0.936566 0.102627 O\n0.723962 0.319231 0.953732 O\n0.085091 0.814178 0.274578 O\n0.135491 0.138038 0.044719 O\n0.091957 0.327441 0.151078 O\n0.924631 0.801738 0.917971 O\n0.307215 0.651050 0.061492 O\n0.990649 0.227052 0.768320 O\n0.867883 0.044255 0.305721 O\n0.929002 0.570912 0.886794 O\n0.356640 0.025888 0.863077 O\n0.050585 0.028828 0.663105 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Mg",
"Au",
"Se",
"Cl",
"O"
],
"chemical_system": "Au-Cl-Mg-O-Se",
"density": 4.6114880124013835,
"density_atomic": 0.04749405617654945,
"volume": 526.3816572555439,
"volume_molar": 12.679777733899842,
"formula_full": "Mg1 Au4 Se4 Cl4 O12",
"formula_reduced": "MgAu4Se4(ClO3)4",
"formula_anonymous": "AB4C4D4E12",
"energy": -120.63170816,
"energy_per_atom": -4.8252683264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -109.93170816,
"band_gap": 0.906,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.024000Z",
"spacegroup": 1
},
{
"id": "mp-1245213",
"created_at": "2022-09-04T14:43:23.173315Z",
"structure_string": "Zn50 S50\n1.0\n13.355616 0.384137 0.836346\n0.328483 14.088752 0.199336\n0.812758 0.181746 12.590336\nZn S\n50 50\ndirect\n0.472200 0.504319 0.866015 Zn\n0.385436 0.140676 0.776850 Zn\n0.674467 0.330444 0.850539 Zn\n0.471457 0.092265 0.595979 Zn\n0.948479 0.889962 0.301012 Zn\n0.860305 0.608296 0.544602 Zn\n0.957665 0.159773 0.879217 Zn\n0.656738 0.709462 0.949528 Zn\n0.988060 0.352398 0.070921 Zn\n0.102542 0.169858 0.719001 Zn\n0.520484 0.326594 0.325946 Zn\n0.791098 0.545935 0.826884 Zn\n0.477666 0.070126 0.972187 Zn\n0.043816 0.109774 0.218653 Zn\n0.140936 0.652767 0.404299 Zn\n0.569741 0.311335 0.123426 Zn\n0.366993 0.255703 0.596722 Zn\n0.788213 0.134449 0.253687 Zn\n0.586026 0.082103 0.126088 Zn\n0.080891 0.901770 0.620189 Zn\n0.366997 0.806146 0.386842 Zn\n0.623065 0.877572 0.288040 Zn\n0.942708 0.059019 0.528303 Zn\n0.540952 0.923629 0.543550 Zn\n0.264991 0.367096 0.297943 Zn\n0.146394 0.116105 0.916607 Zn\n0.113499 0.825844 0.887650 Zn\n0.664288 0.467170 0.675220 Zn\n0.557265 0.260134 0.581217 Zn\n0.614209 0.951826 0.910227 Zn\n0.259520 0.691941 0.184176 Zn\n0.306007 0.641350 0.623721 Zn\n0.488195 0.985643 0.764928 Zn\n0.869025 0.525318 0.134002 Zn\n0.446490 0.194319 0.202561 Zn\n0.633707 0.763984 0.721238 Zn\n0.695639 0.437080 0.383527 Zn\n0.039490 0.576216 0.719505 Zn\n0.192111 0.415160 0.532945 Zn\n0.619749 0.543559 0.100472 Zn\n0.406487 0.544538 0.367471 Zn\n0.002347 0.258049 0.455296 Zn\n0.233565 0.432543 0.795760 Zn\n0.812882 0.796756 0.369221 Zn\n0.252542 0.225431 0.113064 Zn\n0.611328 0.688930 0.459017 Zn\n0.982387 0.491219 0.320984 Zn\n0.156125 0.553088 0.988190 Zn\n0.304766 0.802937 0.972214 Zn\n0.297529 0.888406 0.722444 Zn\n0.612909 0.609015 0.805272 S\n0.922141 0.146330 0.355452 S\n0.472276 0.928684 0.373976 S\n0.957225 0.871378 0.972298 S\n0.332044 0.365615 0.108837 S\n0.287540 0.191389 0.285159 S\n0.565088 0.489621 0.276322 S\n0.163716 0.709432 0.031471 S\n0.625813 0.174955 0.863384 S\n0.163050 0.575270 0.570848 S\n0.466278 0.832648 0.707153 S\n0.731693 0.080809 0.924631 S\n0.371136 0.380388 0.446385 S\n0.241525 0.936799 0.898870 S\n0.342005 0.554590 0.767220 S\n0.684160 0.811188 0.542596 S\n0.077477 0.954036 0.171876 S\n0.844235 0.417960 0.272262 S\n0.321303 0.151088 0.955251 S\n0.965833 0.641245 0.391437 S\n0.858017 0.284743 0.992381 S\n0.720349 0.831717 0.847952 S\n0.853230 0.060241 0.811319 S\n0.042755 0.490552 0.130140 S\n0.578620 0.423105 0.988588 S\n0.161952 0.052590 0.591443 S\n0.653325 0.275125 0.420375 S\n0.095502 0.379317 0.396252 S\n0.804668 0.399940 0.749589 S\n0.703584 0.548895 0.516131 S\n0.749844 0.247291 0.120772 S\n0.778814 0.589892 0.011329 S\n0.691130 0.726345 0.285868 S\n0.430131 0.671251 0.478051 S\n0.213353 0.794557 0.329129 S\n0.088400 0.212075 0.081015 S\n0.539906 0.706448 0.102728 S\n0.208650 0.308562 0.678080 S\n0.957696 0.194994 0.617784 S\n0.993866 0.992002 0.037639 S\n0.257642 0.551045 0.289614 S\n0.168659 0.784429 0.704918 S\n0.311609 -0.000007 0.581273 S\n0.713607 0.002767 0.202429 S\n0.887688 0.649815 0.710414 S\n0.538947 0.360701 0.724396 S\n0.070542 0.481681 0.861406 S\n0.944724 0.903682 0.537748 S\n0.310712 0.453454 0.976563 S\n0.401343 0.688261 0.045462 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.432845698471601,
"density_atomic": 0.042417629338491636,
"volume": 2357.510345568878,
"volume_molar": 14.197259144172028,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -334.8097738,
"energy_per_atom": -3.3480977380000003,
"energy_above_hull": null,
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"energy_uncorrected": -309.6597738,
"band_gap": 0.8460999999999999,
"is_gap_direct": true,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:36:16.505000Z",
"spacegroup": 1
},
{
"id": "mp-1228743",
"created_at": "2022-09-04T14:43:56.744646Z",
"structure_string": "Ba4 Mn2 Cu2 P8 O28\n1.0\n-0.006280 -0.019273 7.552615\n5.598014 7.514710 -1.275687\n-5.138961 7.462188 -2.132084\nBa Mn Cu P O\n4 2 2 8 28\ndirect\n0.775349 0.362926 0.568471 Ba\n0.775260 0.862927 0.068418 Ba\n0.222411 0.640072 0.425622 Ba\n0.222366 0.140076 0.925608 Ba\n0.615955 0.605899 0.797977 Mn\n0.615460 0.105850 0.297931 Mn\n0.354358 0.398325 0.203019 Cu\n0.353362 0.898390 0.702739 Cu\n0.731989 0.754038 0.456560 P\n0.731969 0.254028 0.956577 P\n0.266040 0.243059 0.539678 P\n0.266063 0.743012 0.039706 P\n0.816607 0.943085 0.660040 P\n0.816584 0.443063 0.160063 P\n0.187251 0.058333 0.345515 P\n0.187365 0.558265 0.845573 P\n0.851502 0.678909 0.395495 O\n0.851503 0.178875 0.895547 O\n0.158689 0.321886 0.606244 O\n0.158722 0.821769 0.106332 O\n0.619026 0.874025 0.324120 O\n0.619073 0.374033 0.824116 O\n0.378202 0.118657 0.669882 O\n0.378379 0.618693 0.169896 O\n0.869653 0.836646 0.570450 O\n0.869623 0.336628 0.070489 O\n0.121633 0.161256 0.429327 O\n0.121684 0.661150 0.929413 O\n0.285392 0.925898 0.477223 O\n0.285614 0.425887 0.977304 O\n0.731436 0.081485 0.531391 O\n0.731504 0.581494 0.031441 O\n0.329969 0.164246 0.249871 O\n0.330009 0.664289 0.749873 O\n0.673111 0.846391 0.755093 O\n0.673004 0.346414 0.255076 O\n0.608343 0.635985 0.556783 O\n0.608298 0.135986 0.056782 O\n0.388330 0.358234 0.433784 O\n0.388164 0.858253 0.933647 O\n0.990892 0.979476 0.761497 O\n0.990841 0.479416 0.261590 O\n0.024451 0.011365 0.241855 O\n0.024561 0.511303 0.741980 O\n",
"nsites": 44,
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"elements": [
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"Mn",
"Cu",
"P",
"O"
],
"chemical_system": "Ba-Cu-Mn-O-P",
"density": 4.055379396860451,
"density_atomic": 0.07250574071946884,
"volume": 606.8485000413955,
"volume_molar": 8.305743380100338,
"formula_full": "Ba4 Mn2 Cu2 P8 O28",
"formula_reduced": "Ba2MnCu(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -338.19794677,
"energy_per_atom": -7.6863169720454545,
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"energy_uncorrected": -315.62594677,
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"updated_at": "2021-11-28T01:36:09.921000Z",
"spacegroup": 1
},
{
"id": "mp-30980",
"created_at": "2022-09-04T14:44:17.118983Z",
"structure_string": "Na4 Y4 O8\n1.0\n6.660912 3.344939 0.000000\n-6.660912 3.344939 0.000000\n0.000000 3.240720 5.045128\nNa Y O\n4 4 8\ndirect\n0.180820 0.819180 0.250000 Na\n0.944066 0.055934 0.250000 Na\n0.819180 0.180820 0.750000 Na\n0.055934 0.944066 0.750000 Na\n0.567040 0.432960 0.750000 Y\n0.432960 0.567040 0.250000 Y\n0.306817 0.693183 0.750000 Y\n0.693183 0.306817 0.250000 Y\n0.769441 0.642350 0.293720 O\n0.357650 0.230559 0.206280 O\n0.230559 0.357650 0.706280 O\n0.642350 0.769441 0.793720 O\n0.540710 0.916769 0.292003 O\n0.916769 0.540710 0.792003 O\n0.459290 0.083231 0.707997 O\n0.083231 0.459290 0.207997 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Y",
"O"
],
"chemical_system": "Na-O-Y",
"density": 4.251370518287331,
"density_atomic": 0.07116982526770328,
"volume": 224.81437800102015,
"volume_molar": 8.461648932462444,
"formula_full": "Na4 Y4 O8",
"formula_reduced": "NaYO2",
"formula_anonymous": "ABC2",
"energy": -120.85149938,
"energy_per_atom": -7.55321871125,
"energy_above_hull": null,
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"energy_uncorrected": -115.35549938,
"band_gap": 4.1319,
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"updated_at": "2021-11-28T01:36:41.210000Z",
"spacegroup": 15
},
{
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