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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=72",
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"results": [
{
"id": "mp-1042054",
"created_at": "2022-09-04T14:47:06.462658Z",
"structure_string": "Zn4 Fe4 P8 O28\n1.0\n-3.604407 6.119849 0.575948\n0.073952 -0.031932 7.447420\n7.763346 5.839117 1.082687\nZn Fe P O\n4 4 8 28\ndirect\n0.163254 0.658501 0.491011 Zn\n0.662993 0.658723 0.991022 Zn\n0.836887 0.341289 0.509013 Zn\n0.336694 0.341560 0.008986 Zn\n0.449881 0.202132 0.707202 Fe\n0.050146 0.797771 0.792888 Fe\n0.949752 0.202271 0.207212 Fe\n0.550265 0.797784 0.292825 Fe\n0.247424 0.092745 0.436870 P\n0.747254 0.092897 0.936952 P\n0.752805 0.907058 0.563104 P\n0.252603 0.907304 0.063121 P\n0.988030 0.614746 0.210269 P\n0.488035 0.614631 0.710292 P\n0.011936 0.385303 0.789683 P\n0.511949 0.385313 0.289705 P\n0.291762 0.898401 0.397966 O\n0.791567 0.898492 0.898118 O\n0.708388 0.101477 0.601880 O\n0.208177 0.101651 0.101976 O\n0.280575 0.114064 0.584107 O\n0.780197 0.114347 0.084207 O\n0.719953 0.885607 0.415824 O\n0.219579 0.885932 0.915869 O\n0.049583 0.167660 0.401033 O\n0.549436 0.167813 0.901073 O\n0.950630 0.832165 0.598987 O\n0.450427 0.832395 0.099033 O\n0.013279 0.424399 0.631383 O\n0.513172 0.424672 0.131429 O\n0.986838 0.575373 0.368532 O\n0.486690 0.575571 0.868598 O\n0.082014 0.456280 0.134020 O\n0.582150 0.456098 0.634222 O\n0.917852 0.543830 0.865767 O\n0.417975 0.543777 0.365969 O\n0.104401 0.792561 0.170422 O\n0.604590 0.792319 0.670378 O\n0.895389 0.207609 0.829585 O\n0.395534 0.207515 0.329493 O\n0.711743 0.330082 0.330820 O\n0.211722 0.330050 0.830845 O\n0.288257 0.669909 0.669135 O\n0.788207 0.669926 0.169173 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Zn",
"density": 3.84008891738562,
"density_atomic": 0.08617324593140385,
"volume": 510.5993110091866,
"volume_molar": 6.988411188309861,
"formula_full": "Zn4 Fe4 P8 O28",
"formula_reduced": "ZnFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -325.83760009,
"energy_per_atom": -7.405400002045455,
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"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.014000Z",
"spacegroup": 2
},
{
"id": "mp-1250887",
"created_at": "2022-09-04T14:47:06.344706Z",
"structure_string": "Mg6 Mn4 Si8 O28\n1.0\n3.823752 8.538257 0.000000\n-3.823752 8.538257 0.000000\n0.000000 5.622300 8.208306\nMg Mn Si O\n6 4 8 28\ndirect\n0.073976 0.262553 0.111298 Mg\n0.737447 0.926024 0.388702 Mg\n0.262553 0.073976 0.611298 Mg\n0.391386 0.608614 0.750000 Mg\n0.926024 0.737447 0.888702 Mg\n0.608614 0.391386 0.250000 Mg\n0.787363 0.212637 0.750000 Mn\n0.212637 0.787363 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.548472 0.080276 0.705323 Si\n0.080276 0.548472 0.205323 Si\n0.512625 0.249430 0.106286 Si\n0.249430 0.512625 0.606286 Si\n0.919724 0.451528 0.794677 Si\n0.487375 0.750570 0.893714 Si\n0.750570 0.487375 0.393714 Si\n0.451528 0.919724 0.294677 Si\n0.828931 0.316706 0.319303 O\n0.967818 0.888494 0.412677 O\n0.456942 0.634028 0.087468 O\n0.888494 0.967818 0.912677 O\n0.230747 0.992380 0.307209 O\n0.072738 0.500451 0.624032 O\n0.634028 0.456942 0.587468 O\n0.007620 0.769253 0.192791 O\n0.927262 0.499549 0.375968 O\n0.614565 0.693807 0.270496 O\n0.032182 0.111506 0.587323 O\n0.769253 0.007620 0.692791 O\n0.499549 0.927262 0.875968 O\n0.316706 0.828931 0.819303 O\n0.693807 0.614565 0.770496 O\n0.992380 0.230747 0.807209 O\n0.919189 0.481358 0.941453 O\n0.385435 0.306193 0.729504 O\n0.518642 0.080811 0.558547 O\n0.306193 0.385435 0.229504 O\n0.500451 0.072738 0.124032 O\n0.111506 0.032182 0.087323 O\n0.481358 0.919189 0.441453 O\n0.543058 0.365972 0.912532 O\n0.080811 0.518642 0.058547 O\n0.365972 0.543058 0.412532 O\n0.683294 0.171069 0.180697 O\n0.171069 0.683294 0.680697 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.216683297208781,
"density_atomic": 0.08582530545118354,
"volume": 535.9724589173094,
"volume_molar": 7.016742589311639,
"formula_full": "Mg6 Mn4 Si8 O28",
"formula_reduced": "Mg3Mn2(Si2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -361.8860922,
"energy_per_atom": -7.867088960869565,
"energy_above_hull": null,
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"energy_uncorrected": -335.9780922,
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"updated_at": "2021-11-28T01:37:52.649000Z",
"spacegroup": 15
},
{
"id": "mp-1174493",
"created_at": "2022-09-04T14:47:06.525434Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.403486 4.897796 0.000000\n-4.403486 4.897796 0.000000\n0.000000 0.809145 4.949138\nLi Mn Co O\n7 2 3 12\ndirect\n0.581315 0.907762 0.753056 Li\n0.255849 0.255849 0.752579 Li\n0.907762 0.581315 0.753056 Li\n0.092238 0.418685 0.246944 Li\n0.744151 0.744151 0.247421 Li\n0.418685 0.092238 0.246944 Li\n0.500000 0.500000 0.000000 Li\n0.829898 0.170102 0.000000 Mn\n0.170102 0.829898 0.000000 Mn\n0.342838 0.657162 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.657162 0.342838 0.500000 Co\n0.947506 0.274470 0.644970 O\n0.623570 0.623570 0.605129 O\n0.274470 0.947506 0.644970 O\n0.430334 0.795143 0.134757 O\n0.110907 0.110907 0.120098 O\n0.795143 0.430334 0.134757 O\n0.204857 0.569666 0.865243 O\n0.889093 0.889093 0.879902 O\n0.569666 0.204857 0.865243 O\n0.725530 0.052494 0.355030 O\n0.376430 0.376430 0.394871 O\n0.052494 0.725530 0.355030 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.101222431929343,
"density_atomic": 0.11242279290895862,
"volume": 213.47984140044892,
"volume_molar": 5.3566902263999125,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -158.09573662,
"energy_per_atom": -6.5873223591666665,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -141.60173662,
"band_gap": 1.3066,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0001113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.812000Z",
"spacegroup": 12
},
{
"id": "mp-1093743",
"created_at": "2022-09-04T14:46:55.479861Z",
"structure_string": "Nb1 V1 W2\n1.0\n-4.540990 5.406325 7.636150\n4.540990 -5.406325 7.636150\n4.540990 5.406325 -7.636150\nNb V W\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.249134 0.249133 W\n0.000000 0.750867 0.750866 W\n",
"nsites": 4,
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"elements": [
"Nb",
"V",
"W"
],
"chemical_system": "Nb-V-W",
"density": 1.132742692982238,
"density_atomic": 0.0053342437126655765,
"volume": 749.871999755549,
"volume_molar": 112.89586836276506,
"formula_full": "Nb1 V1 W2",
"formula_reduced": "NbVW2",
"formula_anonymous": "ABC2",
"energy": -25.55684345,
"energy_per_atom": -6.3892108625,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.55684345,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9537855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.202000Z",
"spacegroup": 71
},
{
"id": "mp-1205078",
"created_at": "2022-09-04T14:46:55.835970Z",
"structure_string": "Li2 Ce2 P8 O24\n1.0\n3.590477 8.348610 0.000000\n-3.590477 8.348610 0.000000\n0.000000 5.900511 8.014448\nLi Ce P O\n2 2 8 24\ndirect\n0.800259 0.199741 0.250000 Li\n0.199741 0.800259 0.750000 Li\n0.302595 0.697405 0.250000 Ce\n0.697405 0.302595 0.750000 Ce\n0.512308 0.188863 0.597327 P\n0.811137 0.487692 0.902673 P\n0.487692 0.811137 0.402673 P\n0.188863 0.512308 0.097327 P\n0.920047 0.802738 0.664295 P\n0.197262 0.079953 0.835705 P\n0.079953 0.197262 0.335705 P\n0.802738 0.920047 0.164295 P\n0.526063 0.321551 0.418025 O\n0.678449 0.473937 0.081975 O\n0.473937 0.678449 0.581975 O\n0.321551 0.526063 0.918025 O\n0.487292 0.253874 0.721976 O\n0.746126 0.512708 0.778024 O\n0.512708 0.746126 0.278024 O\n0.253874 0.487292 0.221976 O\n0.846574 0.666402 0.844252 O\n0.333598 0.153426 0.655748 O\n0.153426 0.333598 0.155748 O\n0.666402 0.846574 0.344252 O\n0.722720 0.954109 0.590653 O\n0.045891 0.277280 0.909347 O\n0.277280 0.045891 0.409347 O\n0.954109 0.722720 0.090653 O\n0.105166 0.666314 0.549641 O\n0.333686 0.894834 0.950359 O\n0.894834 0.333686 0.450359 O\n0.666314 0.105166 0.049641 O\n0.939806 0.926983 0.702945 O\n0.073017 0.060194 0.797055 O\n0.060194 0.073017 0.297055 O\n0.926983 0.939806 0.202945 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Ce",
"P",
"O"
],
"chemical_system": "Ce-Li-O-P",
"density": 3.1999147961603986,
"density_atomic": 0.0749260032643441,
"volume": 480.4740468137547,
"volume_molar": 8.037450948442391,
"formula_full": "Li2 Ce2 P8 O24",
"formula_reduced": "LiCe(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -282.4772611,
"energy_per_atom": -7.846590586111112,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:46.575000Z",
"spacegroup": 15
},
{
"id": "mp-1177638",
"created_at": "2022-09-04T14:46:56.415615Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n-7.869677 0.000000 0.000000\n-0.908757 -7.902332 0.000000\n3.038376 2.855712 8.107534\nLi Mn B O\n6 8 8 24\ndirect\n0.675982 0.015567 0.727615 Li\n0.160945 0.503430 0.731330 Li\n0.421734 0.259861 0.221452 Li\n0.578266 0.740139 0.778548 Li\n0.839055 0.496570 0.268670 Li\n0.324018 0.984433 0.272385 Li\n0.033735 0.210576 0.432850 Mn\n0.469733 0.287182 0.582045 Mn\n0.786748 0.468449 0.921861 Mn\n0.278601 0.970109 0.914327 Mn\n0.721399 0.029891 0.085673 Mn\n0.213252 0.531551 0.078139 Mn\n0.530267 0.712818 0.417955 Mn\n0.966265 0.789424 0.567150 Mn\n0.467861 0.291700 0.913008 B\n0.050100 0.224539 0.109668 B\n0.707844 0.041840 0.412324 B\n0.205926 0.523004 0.407130 B\n0.794074 0.476996 0.592870 B\n0.292156 0.958160 0.587676 B\n0.949900 0.775461 0.890332 B\n0.532139 0.708300 0.086992 B\n0.021958 0.336441 0.016200 O\n0.266840 0.054722 0.480789 O\n0.328227 0.409054 0.889427 O\n0.193476 0.107964 0.121489 O\n0.590221 0.260237 0.820642 O\n0.068648 0.757737 0.800403 O\n0.224791 0.420445 0.511069 O\n0.552953 0.141158 0.376999 O\n0.065752 0.639692 0.385147 O\n0.833969 0.028147 0.331627 O\n0.330168 0.498465 0.321102 O\n0.488842 0.191483 0.017031 O\n0.511158 0.808517 0.982969 O\n0.669832 0.501535 0.678898 O\n0.166031 0.971853 0.668373 O\n0.934248 0.360308 0.614853 O\n0.447047 0.858842 0.623001 O\n0.775209 0.579555 0.488931 O\n0.931352 0.242263 0.199597 O\n0.409779 0.739763 0.179358 O\n0.806524 0.892036 0.878511 O\n0.671773 0.590946 0.110573 O\n0.733160 0.945278 0.519211 O\n0.978042 0.663559 0.983800 O\n",
"nsites": 46,
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"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1341047497829457,
"density_atomic": 0.09123403307854892,
"volume": 504.1978135549023,
"volume_molar": 6.600761313286648,
"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -370.18251054,
"energy_per_atom": -8.047445881304348,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:52.114000Z",
"spacegroup": 2
},
{
"id": "mp-772971",
"created_at": "2022-09-04T14:47:06.999314Z",
"structure_string": "Li4 Ti3 Mn5 O16\n1.0\n2.975956 5.112962 0.000000\n-2.975956 5.112962 0.000000\n0.000000 0.428015 9.717011\nLi Ti Mn O\n4 3 5 16\ndirect\n0.675112 0.675112 0.106805 Li\n0.989987 0.989987 0.004339 Li\n0.986847 0.986847 0.503925 Li\n0.337235 0.337235 0.606872 Li\n0.338226 0.837442 0.783499 Ti\n0.837442 0.338226 0.783499 Ti\n0.170308 0.170308 0.289024 Ti\n0.666761 0.666761 0.510734 Mn\n0.830509 0.830509 0.790353 Mn\n0.339802 0.339802 0.013049 Mn\n0.174268 0.663595 0.283936 Mn\n0.663595 0.174268 0.283936 Mn\n0.311850 0.839964 0.393435 O\n0.519050 0.519050 0.667169 O\n0.664566 0.664566 0.893360 O\n0.996430 0.996430 0.690132 O\n0.002244 0.002244 0.189469 O\n0.839964 0.311850 0.393435 O\n0.505839 0.968614 0.663416 O\n0.968614 0.505839 0.663416 O\n0.153531 0.153531 0.893126 O\n0.832972 0.832972 0.391635 O\n0.049096 0.484480 0.163001 O\n0.484480 0.049096 0.163001 O\n0.330330 0.330330 0.392967 O\n0.172351 0.666673 0.902236 O\n0.491684 0.491684 0.170149 O\n0.666673 0.172351 0.902236 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.9423272674885856,
"density_atomic": 0.09468828932310394,
"volume": 295.70710591735235,
"volume_molar": 6.359963627023303,
"formula_full": "Li4 Ti3 Mn5 O16",
"formula_reduced": "Li4Ti3Mn5O16",
"formula_anonymous": "A3B4C5D16",
"energy": -227.31689741,
"energy_per_atom": -8.118460621785713,
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"updated_at": "2021-11-28T01:37:55.975000Z",
"spacegroup": 8
},
{
"id": "mp-1209308",
"created_at": "2022-09-04T14:46:56.471394Z",
"structure_string": "Sb4 S4 O24\n1.0\n13.530915 0.000000 0.000000\n0.000000 5.827722 0.000000\n0.000000 3.918890 5.832555\nSb S O\n4 4 24\ndirect\n0.581427 0.426431 0.400564 Sb\n0.418573 0.573569 0.599436 Sb\n0.081427 0.573569 0.099436 Sb\n0.918573 0.426431 0.900564 Sb\n0.820608 0.930515 0.402986 S\n0.179392 0.069485 0.597014 S\n0.320608 0.069485 0.097014 S\n0.679392 0.930515 0.902986 S\n0.761217 0.717835 0.418419 O\n0.238783 0.282165 0.581581 O\n0.261217 0.282165 0.081581 O\n0.738783 0.717835 0.918419 O\n0.605391 0.818692 0.105127 O\n0.394609 0.181308 0.894873 O\n0.105391 0.181308 0.394873 O\n0.894609 0.818692 0.605127 O\n0.610343 0.256484 0.239408 O\n0.389657 0.743516 0.760592 O\n0.110343 0.743516 0.260592 O\n0.889657 0.256484 0.739408 O\n0.892673 0.045582 0.199943 O\n0.107327 0.954418 0.800057 O\n0.392673 0.954418 0.300057 O\n0.607327 0.045582 0.699943 O\n0.269005 0.837189 0.111931 O\n0.730995 0.162811 0.888069 O\n0.769005 0.162811 0.388069 O\n0.230995 0.837189 0.611931 O\n0.935402 0.583806 0.086909 O\n0.064598 0.416194 0.913091 O\n0.435402 0.416194 0.413091 O\n0.564598 0.583806 0.586909 O\n",
"nsites": 32,
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"elements": [
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"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 3.6078950138724712,
"density_atomic": 0.06957691095590898,
"volume": 459.9226892995934,
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"formula_full": "Sb4 S4 O24",
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