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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11526",
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"results": [
{
"id": "mp-1048875",
"created_at": "2022-09-04T14:43:01.979005Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n5.255071 -3.046115 0.000000\n5.255071 3.046115 0.000000\n3.489384 0.000000 4.971800\nMn Zn O\n4 2 8\ndirect\n0.755183 0.755183 0.755183 Mn\n0.875157 0.375059 0.375059 Mn\n0.375059 0.375059 0.875157 Mn\n0.375059 0.875157 0.375059 Mn\n0.994435 0.994435 0.994435 Zn\n0.374553 0.374553 0.374553 Zn\n0.620712 0.169647 0.620712 O\n0.620712 0.620712 0.169647 O\n0.169647 0.620712 0.620712 O\n0.619399 0.619399 0.619399 O\n0.128529 0.128529 0.128529 O\n0.585108 0.128222 0.128222 O\n0.128222 0.128222 0.585108 O\n0.128222 0.585108 0.128222 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Mn-O-Zn",
"density": 4.992543373171934,
"density_atomic": 0.0879547921658089,
"volume": 159.1726801378571,
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"formula_full": "Mn4 Zn2 O8",
"formula_reduced": "Mn2ZnO4",
"formula_anonymous": "AB2C4",
"energy": -105.5772269,
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"spacegroup": 160
},
{
"id": "mp-759075",
"created_at": "2022-09-04T14:43:02.071585Z",
"structure_string": "Li9 Fe4 Si4 O20\n1.0\n5.012982 0.000000 0.000000\n-0.035349 5.617697 0.000000\n-0.006154 -0.081279 16.183631\nLi Fe Si O\n9 4 4 20\ndirect\n0.993762 0.338216 0.401456 Li\n0.998153 0.834203 0.091139 Li\n0.001145 0.828653 0.699135 Li\n0.997260 0.341269 0.997855 Li\n0.498468 0.662889 0.597082 Li\n0.502428 0.169281 0.908035 Li\n0.510083 0.175003 0.303851 Li\n0.497322 0.661345 0.002667 Li\n0.501753 0.164343 0.493854 Li\n0.000585 0.831437 0.297600 Fe\n0.007477 0.333003 0.198416 Fe\n0.502563 0.666663 0.800785 Fe\n0.504038 0.163851 0.699286 Fe\n0.004908 0.832189 0.903696 Si\n0.008502 0.328881 0.599843 Si\n0.499682 0.662055 0.401354 Si\n0.507606 0.169579 0.096595 Si\n0.058359 0.663552 0.198813 O\n0.107047 0.157706 0.293763 O\n0.121228 0.594789 0.619474 O\n0.110404 0.105219 0.919171 O\n0.102929 0.676911 0.983087 O\n0.116184 0.246565 0.508990 O\n0.132806 0.739345 0.814897 O\n0.133016 0.147728 0.670190 O\n0.174138 0.655767 0.380967 O\n0.175558 0.183779 0.104961 O\n0.556032 0.336724 0.797643 O\n0.608055 0.838785 0.705251 O\n0.609150 0.390487 0.398528 O\n0.608890 0.896409 0.081614 O\n0.531055 0.806515 0.489558 O\n0.605802 0.325887 0.017285 O\n0.637014 0.837624 0.330184 O\n0.634615 0.263678 0.185861 O\n0.673213 0.817863 0.894643 O\n0.676531 0.313296 0.605781 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.616684582199922,
"density_atomic": 0.08118415975781643,
"volume": 455.75393168293067,
"volume_molar": 7.417876563562249,
"formula_full": "Li9 Fe4 Si4 O20",
"formula_reduced": "Li9Fe4(SiO5)4",
"formula_anonymous": "A4B4C9D20",
"energy": -257.95436869,
"energy_per_atom": -6.971739694324325,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.377000Z",
"spacegroup": 1
},
{
"id": "mp-1206305",
"created_at": "2022-09-04T14:43:02.086178Z",
"structure_string": "Zn1 Br6\n1.0\n5.360610 -8.077178 0.000000\n5.360610 8.077178 0.000000\n0.000000 0.000000 47.410312\nZn Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.249992 Br\n0.000000 0.000000 0.750008 Br\n0.257582 0.013876 0.000000 Br\n0.742418 0.986124 0.000000 Br\n0.013876 0.257582 0.000000 Br\n0.986124 0.742418 0.000000 Br\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zn",
"Br"
],
"chemical_system": "Br-Zn",
"density": 0.22036155433919802,
"density_atomic": 0.0017049881507675694,
"volume": 4105.600380183679,
"volume_molar": 353.2071913396518,
"formula_full": "Zn1 Br6",
"formula_reduced": "ZnBr6",
"formula_anonymous": "AB6",
"energy": -12.22040737,
"energy_per_atom": -1.7457724814285716,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:01.932000Z",
"spacegroup": 65
},
{
"id": "mp-755547",
"created_at": "2022-09-04T14:43:02.137734Z",
"structure_string": "Li2 V2 F8\n1.0\n2.039501 6.357197 0.000000\n-2.039501 6.357197 0.000000\n0.000000 1.948244 6.354173\nLi V F\n2 2 8\ndirect\n0.912612 0.912612 0.704172 Li\n0.087388 0.087388 0.295828 Li\n0.796100 0.796100 0.298026 V\n0.203900 0.203900 0.701974 V\n0.928188 0.928188 0.383332 F\n0.861978 0.861978 0.009787 F\n0.276253 0.276253 0.357943 F\n0.352905 0.352905 0.704197 F\n0.647095 0.647095 0.295803 F\n0.723747 0.723747 0.642057 F\n0.138022 0.138022 0.990213 F\n0.071812 0.071812 0.616668 F\n",
"nsites": 12,
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"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.6983828256047775,
"density_atomic": 0.07282871095928999,
"volume": 164.77018255489648,
"volume_molar": 8.268910269970693,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy": -75.02363336,
"energy_per_atom": -6.251969446666667,
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"updated_at": "2021-11-28T01:36:00.335000Z",
"spacegroup": 12
},
{
"id": "mp-21635",
"created_at": "2022-09-04T14:43:01.951610Z",
"structure_string": "Ce2 Mn4 Ge8 O24\n1.0\n4.969012 0.000000 0.000000\n0.000000 9.988670 0.000000\n0.000000 0.000000 9.988670\nCe Mn Ge O\n2 4 8 24\ndirect\n0.500000 0.750000 0.750000 Ce\n0.500000 0.250000 0.250000 Ce\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.250000 0.975964 Ge\n0.000000 0.975964 0.250000 Ge\n0.000000 0.250000 0.524035 Ge\n0.000000 0.475965 0.750000 Ge\n0.000000 0.750000 0.475965 Ge\n0.000000 0.750000 0.024035 Ge\n0.000000 0.024035 0.750000 Ge\n0.000000 0.524035 0.250000 Ge\n0.256016 0.563672 0.666564 O\n0.256016 0.936328 0.833437 O\n0.256016 0.666564 0.936328 O\n0.256016 0.833437 0.563672 O\n0.743983 0.666564 0.563672 O\n0.743983 0.936328 0.666564 O\n0.743983 0.563672 0.833437 O\n0.743983 0.833437 0.936328 O\n0.743983 0.436327 0.333436 O\n0.743983 0.063673 0.166564 O\n0.743983 0.333436 0.063673 O\n0.743983 0.166564 0.436327 O\n0.256016 0.333436 0.436327 O\n0.256016 0.063673 0.333436 O\n0.173020 0.629988 0.370013 O\n0.173020 0.129987 0.629988 O\n0.173020 0.370013 0.870012 O\n0.173020 0.870012 0.129987 O\n0.826982 0.629988 0.129987 O\n0.256016 0.436327 0.166564 O\n0.826982 0.370013 0.629988 O\n0.826982 0.129987 0.870012 O\n0.256016 0.166564 0.063673 O\n0.826982 0.870012 0.370013 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ce-Ge-Mn-O",
"density": 4.907134480097355,
"density_atomic": 0.07664753991725376,
"volume": 495.77585974740464,
"volume_molar": 7.856926349497075,
"formula_full": "Ce2 Mn4 Ge8 O24",
"formula_reduced": "CeMn2(GeO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -295.69574647,
"energy_per_atom": -7.781467012368421,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:00.762000Z",
"spacegroup": 125
},
{
"id": "mp-1176341",
"created_at": "2022-09-04T14:43:01.997782Z",
"structure_string": "Na10 Mn4 P4 C4 O28\n1.0\n8.468642 0.000000 0.000000\n-1.975034 8.278561 0.000000\n-0.102470 -0.057211 9.057119\nNa Mn P C O\n10 4 4 4 28\ndirect\n0.252332 0.512553 0.928993 Na\n0.626835 0.634922 0.744939 Na\n0.863400 0.354586 0.747584 Na\n0.394499 0.885640 0.742904 Na\n0.111707 0.120946 0.745710 Na\n0.881082 0.871113 0.254596 Na\n0.622769 0.119828 0.248970 Na\n0.378311 0.378145 0.258754 Na\n0.240200 0.978777 0.083925 Na\n0.756777 0.494943 0.085042 Na\n0.510555 0.264300 0.645909 Mn\n0.016370 0.763429 0.639263 Mn\n0.475584 0.733675 0.353683 Mn\n0.988576 0.243671 0.352299 Mn\n0.729222 0.974509 0.574985 P\n0.223561 0.476825 0.582647 P\n0.772953 0.524279 0.422994 P\n0.274710 0.027953 0.415739 P\n0.986091 0.740023 0.928142 C\n0.489386 0.239946 0.940813 C\n0.511011 0.756358 0.065799 C\n0.016511 0.263816 0.066756 C\n0.501440 0.752204 0.923859 O\n0.017365 0.267768 0.925196 O\n0.600885 0.351271 0.878718 O\n0.096201 0.843940 0.850949 O\n0.884442 0.630599 0.852662 O\n0.388028 0.137940 0.855932 O\n0.862484 0.912104 0.663753 O\n0.346640 0.423419 0.688470 O\n0.675536 0.103615 0.669232 O\n0.162214 0.608851 0.672945 O\n0.578974 0.827147 0.551611 O\n0.705078 0.459592 0.573979 O\n0.213405 0.959018 0.568681 O\n0.075454 0.328458 0.555287 O\n0.919662 0.673277 0.451286 O\n0.793951 0.040868 0.423243 O\n0.297487 0.539651 0.435233 O\n0.415957 0.180609 0.438779 O\n0.827097 0.393420 0.328634 O\n0.646382 0.581712 0.323733 O\n0.337996 0.904779 0.319604 O\n0.136673 0.075190 0.322818 O\n0.613686 0.861425 0.142743 O\n0.126597 0.360380 0.145496 O\n0.902694 0.163363 0.139887 O\n0.406214 0.645734 0.139419 O\n0.987256 0.748983 0.068174 O\n0.477385 0.231971 0.082506 O\n",
"nsites": 50,
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"elements": [
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"P",
"C",
"O"
],
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"density": 2.7970484114858425,
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"volume": 634.978032984512,
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"formula_full": "Na10 Mn4 P4 C4 O28",
"formula_reduced": "Na5Mn2P2(CO7)2",
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"energy": -363.63747906,
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"updated_at": "2021-11-28T01:35:59.471000Z",
"spacegroup": 1
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{
"id": "mp-628784",
"created_at": "2022-09-04T14:43:02.065498Z",
"structure_string": "K12 Ti4 Cl24\n1.0\n7.267556 0.000000 0.000000\n0.000000 13.183046 0.000000\n0.000000 4.944199 14.953224\nK Ti Cl\n12 4 24\ndirect\n0.998013 0.172403 0.897357 K\n0.515205 0.544299 0.158473 K\n0.890301 0.145466 0.198943 K\n0.015205 0.455701 0.341527 K\n0.498013 0.827597 0.602643 K\n0.390301 0.854534 0.301057 K\n0.609699 0.145466 0.698943 K\n0.001987 0.827597 0.102643 K\n0.109699 0.854534 0.801057 K\n0.484795 0.455701 0.841527 K\n0.501987 0.172403 0.397357 K\n0.984795 0.544299 0.658473 K\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.565732 0.180297 0.964555 Cl\n0.720212 0.969442 0.420804 Cl\n0.401115 0.384778 0.422225 Cl\n0.742846 0.335502 0.251402 Cl\n0.901115 0.615222 0.077775 Cl\n0.757154 0.335502 0.751402 Cl\n0.711142 0.425171 0.013342 Cl\n0.934268 0.180297 0.464555 Cl\n0.173232 0.034520 0.356391 Cl\n0.434268 0.819703 0.035445 Cl\n0.242846 0.664498 0.248598 Cl\n0.598885 0.615222 0.577775 Cl\n0.288858 0.574829 0.986658 Cl\n0.211142 0.574829 0.486658 Cl\n0.326768 0.034520 0.856391 Cl\n0.098885 0.384778 0.922225 Cl\n0.065732 0.819703 0.535445 Cl\n0.826768 0.965480 0.643609 Cl\n0.779788 0.969442 0.920804 Cl\n0.220212 0.030558 0.079196 Cl\n0.257154 0.664498 0.748598 Cl\n0.788858 0.425171 0.513342 Cl\n0.279788 0.030558 0.579196 Cl\n0.673232 0.965480 0.143609 Cl\n",
"nsites": 40,
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"elements": [
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],
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"density": 1.7519587927569407,
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"volume": 1432.6463362656405,
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"formula_full": "K12 Ti4 Cl24",
"formula_reduced": "K3TiCl6",
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"energy": -171.98660636,
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"updated_at": "2021-11-28T01:36:01.251000Z",
"spacegroup": 14
},
{
"id": "mp-1233315",
"created_at": "2022-09-04T14:43:02.070013Z",
"structure_string": "La2 Mg1 Mo1 O6\n1.0\n5.212005 0.109488 3.056813\n1.817672 4.923076 3.063262\n0.135545 0.099655 6.005355\nLa Mg Mo O\n2 1 1 6\ndirect\n0.619045 0.612001 0.620148 La\n0.349841 0.351329 0.360504 La\n0.835793 0.827855 0.833550 Mg\n0.027908 0.019390 0.030539 Mo\n0.431613 0.789543 0.020213 O\n0.788943 0.038581 0.423202 O\n0.018072 0.448313 0.773627 O\n0.654576 0.177509 0.968963 O\n0.970410 0.636872 0.191041 O\n0.184751 0.967654 0.647262 O\n",
"nsites": 10,
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"elements": [
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"Mg",
"Mo",
"O"
],
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"volume": 149.86513966108237,
"volume_molar": 9.025089660560967,
"formula_full": "La2 Mg1 Mo1 O6",
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"formula_anonymous": "ABC2D6",
"energy": -81.98334334,
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"updated_at": "2021-11-28T01:36:01.187000Z",
"spacegroup": 1
},
{
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{
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}