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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12155",
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"results": [
{
"id": "mp-1212143",
"created_at": "2022-09-04T14:45:26.201030Z",
"structure_string": "K8 Be4 Cl16\n1.0\n0.000000 -6.948522 0.000000\n-8.957764 0.000000 0.000000\n0.000000 0.000000 -12.220986\nK Be Cl\n8 4 16\ndirect\n0.750000 0.514668 0.320952 K\n0.250000 0.485332 0.679048 K\n0.250000 0.985332 0.820952 K\n0.750000 0.014668 0.179048 K\n0.750000 0.849756 0.586660 K\n0.250000 0.150244 0.413340 K\n0.250000 0.650244 0.086660 K\n0.750000 0.349756 0.913340 K\n0.750000 0.767998 0.922145 Be\n0.250000 0.232002 0.077855 Be\n0.250000 0.732002 0.422145 Be\n0.750000 0.267998 0.577855 Be\n0.988658 0.687061 0.846565 Cl\n0.011342 0.312939 0.153435 Cl\n0.011342 0.812939 0.346565 Cl\n0.488658 0.312939 0.153435 Cl\n0.988658 0.187061 0.653435 Cl\n0.511342 0.687061 0.846565 Cl\n0.511342 0.187061 0.653435 Cl\n0.488658 0.812939 0.346565 Cl\n0.750000 0.994313 0.916612 Cl\n0.250000 0.005687 0.083388 Cl\n0.250000 0.505687 0.416612 Cl\n0.750000 0.494313 0.583388 Cl\n0.750000 0.189411 0.420331 Cl\n0.250000 0.810589 0.579669 Cl\n0.250000 0.310589 0.920331 Cl\n0.750000 0.689411 0.079669 Cl\n",
"nsites": 28,
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"elements": [
"K",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-K",
"density": 1.9997959392265185,
"density_atomic": 0.03680948416734611,
"volume": 760.6735229622954,
"volume_molar": 16.36029652744298,
"formula_full": "K8 Be4 Cl16",
"formula_reduced": "K2BeCl4",
"formula_anonymous": "AB2C4",
"energy": -112.94236688,
"energy_per_atom": -4.03365596,
"energy_above_hull": null,
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"band_gap": 5.241099999999999,
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"updated_at": "2021-11-28T01:36:59.719000Z",
"spacegroup": 62
},
{
"id": "mp-1022980",
"created_at": "2022-09-04T14:45:26.203623Z",
"structure_string": "Mg12 Mn2 V2\n1.0\n4.942343 0.000000 0.000000\n0.000000 6.207374 0.000000\n0.000000 0.000000 10.621639\nMg Mn V\n12 2 2\ndirect\n0.000000 0.760518 0.588490 Mg\n0.000000 0.239482 0.588490 Mg\n0.000000 0.000000 0.334344 Mg\n0.500000 0.739349 0.412795 Mg\n0.500000 0.260651 0.412795 Mg\n0.500000 0.000000 0.165471 Mg\n0.000000 0.260518 0.088490 Mg\n0.000000 0.739482 0.088490 Mg\n0.000000 0.500000 0.834344 Mg\n0.500000 0.239349 0.912795 Mg\n0.500000 0.760651 0.912795 Mg\n0.500000 0.500000 0.665471 Mg\n0.000000 0.000000 0.832516 Mn\n0.000000 0.500000 0.332516 Mn\n0.500000 0.000000 0.665098 V\n0.500000 0.500000 0.165098 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"V"
],
"chemical_system": "Mg-Mn-V",
"density": 2.5653489362601682,
"density_atomic": 0.049100696274394555,
"volume": 325.8609594981205,
"volume_molar": 12.26487853928963,
"formula_full": "Mg12 Mn2 V2",
"formula_reduced": "Mg6MnV",
"formula_anonymous": "ABC6",
"energy": -51.45312954,
"energy_per_atom": -3.21582059625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -51.45312954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.2394928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.713000Z",
"spacegroup": 38
},
{
"id": "mp-850217",
"created_at": "2022-09-04T14:45:26.205578Z",
"structure_string": "Li16 V8 Si16 O52\n1.0\n5.029405 0.000000 0.000000\n0.000000 13.813255 0.000000\n0.000000 0.000000 14.155745\nLi V Si O\n16 8 16 52\ndirect\n0.182939 0.041300 0.218808 Li\n0.662685 0.100290 0.916076 Li\n0.647773 0.140424 0.110448 Li\n0.251023 0.209542 0.837518 Li\n0.751023 0.290458 0.337518 Li\n0.147773 0.359576 0.610448 Li\n0.162685 0.399710 0.416076 Li\n0.682939 0.458700 0.718808 Li\n0.317061 0.541300 0.218808 Li\n0.837315 0.600290 0.916076 Li\n0.852227 0.640424 0.110448 Li\n0.248977 0.709542 0.837518 Li\n0.748977 0.790458 0.337518 Li\n0.352227 0.859576 0.610448 Li\n0.337315 0.899710 0.416076 Li\n0.817061 0.958700 0.718808 Li\n0.353850 0.079122 0.626193 V\n0.182556 0.172129 0.421367 V\n0.682556 0.327871 0.921367 V\n0.853850 0.420878 0.126193 V\n0.146150 0.579122 0.626193 V\n0.317444 0.672129 0.421367 V\n0.817444 0.827871 0.921367 V\n0.646150 0.920878 0.126193 V\n0.149925 0.022057 0.001611 Si\n0.689427 0.061292 0.317465 Si\n0.844779 0.189751 0.728717 Si\n0.170720 0.225625 0.046003 Si\n0.670720 0.274375 0.546003 Si\n0.344779 0.310249 0.228717 Si\n0.189427 0.438708 0.817465 Si\n0.649925 0.477943 0.501611 Si\n0.350075 0.522057 0.001611 Si\n0.810573 0.561292 0.317465 Si\n0.655221 0.689751 0.728717 Si\n0.329280 0.725625 0.046003 Si\n0.829280 0.774375 0.546003 Si\n0.155221 0.810249 0.228717 Si\n0.310573 0.938708 0.817465 Si\n0.850075 0.977943 0.501611 Si\n0.423290 0.025402 0.061265 O\n0.773776 0.036844 0.208318 O\n0.217685 0.032606 0.886942 O\n0.062163 0.064251 0.521040 O\n0.372031 0.073308 0.338138 O\n0.668633 0.093583 0.709389 O\n0.986808 0.125535 0.025430 O\n0.858998 0.156659 0.347146 O\n0.159406 0.177688 0.702263 O\n0.472669 0.184016 0.524830 O\n0.240858 0.217562 0.160493 O\n0.826402 0.215169 0.841655 O\n0.445155 0.217444 0.985743 O\n0.945155 0.282556 0.485743 O\n0.326402 0.284831 0.341655 O\n0.740858 0.282438 0.660493 O\n0.972669 0.315984 0.024830 O\n0.659406 0.322312 0.202263 O\n0.358998 0.343341 0.847146 O\n0.486808 0.374465 0.525430 O\n0.168633 0.406417 0.209389 O\n0.872031 0.426692 0.838138 O\n0.562163 0.435749 0.021040 O\n0.717685 0.467394 0.386942 O\n0.273776 0.463156 0.708318 O\n0.923290 0.474598 0.561265 O\n0.076710 0.525402 0.061265 O\n0.726224 0.536844 0.208318 O\n0.282315 0.532606 0.886942 O\n0.437837 0.564251 0.521040 O\n0.127969 0.573308 0.338138 O\n0.831367 0.593583 0.709389 O\n0.513192 0.625535 0.025430 O\n0.641002 0.656659 0.347146 O\n0.340594 0.677688 0.702263 O\n0.027331 0.684016 0.524830 O\n0.259142 0.717562 0.160493 O\n0.673598 0.715169 0.841655 O\n0.054845 0.717444 0.985743 O\n0.554845 0.782556 0.485743 O\n0.173598 0.784831 0.341655 O\n0.759142 0.782438 0.660493 O\n0.527331 0.815984 0.024830 O\n0.840594 0.822312 0.202263 O\n0.141002 0.843341 0.847146 O\n0.013192 0.874465 0.525430 O\n0.331367 0.906417 0.209389 O\n0.627969 0.926692 0.838138 O\n0.937837 0.935749 0.021040 O\n0.782315 0.967394 0.386942 O\n0.226224 0.963156 0.708318 O\n0.576710 0.974598 0.561265 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.0391916631166924,
"density_atomic": 0.0935497127345186,
"volume": 983.4343399972112,
"volume_molar": 6.437369590957504,
"formula_full": "Li16 V8 Si16 O52",
"formula_reduced": "Li4V2Si4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -712.6957056299999,
"energy_per_atom": -7.746692452499999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -663.37170563,
"band_gap": 2.1985,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.463000Z",
"spacegroup": 33
},
{
"id": "mp-984727",
"created_at": "2022-09-04T14:45:26.639912Z",
"structure_string": "Ce3 Br1\n1.0\n4.574962 0.000000 0.000000\n0.000000 4.574962 0.000000\n0.000000 0.000000 4.574962\nCe Br\n3 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Ce",
"density": 8.675119335383796,
"density_atomic": 0.04177317813064844,
"volume": 95.75522330356885,
"volume_molar": 14.416285830983096,
"formula_full": "Ce3 Br1",
"formula_reduced": "Ce3Br",
"formula_anonymous": "AB3",
"energy": -20.86621097,
"energy_per_atom": -5.2165527425,
"energy_above_hull": null,
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"energy_uncorrected": -20.33221097,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:00.578000Z",
"spacegroup": 221
},
{
"id": "mp-568798",
"created_at": "2022-09-04T14:45:26.183117Z",
"structure_string": "Ca56 Mn4 Sb44\n1.0\n-8.410867 8.410867 11.112134\n8.410867 -8.410867 11.112134\n8.410867 8.410867 -11.112134\nCa Mn Sb\n56 4 44\ndirect\n0.745718 0.527337 0.866608 Ca\n0.245718 0.379110 0.218381 Ca\n0.777337 0.495718 0.366608 Ca\n0.277337 0.910729 0.281619 Ca\n0.004282 0.722663 0.633392 Ca\n0.504282 0.870890 0.281619 Ca\n0.972663 0.754282 0.133392 Ca\n0.472663 0.339271 0.218381 Ca\n0.160729 0.027337 0.781619 Ca\n0.660729 0.879110 0.133392 Ca\n0.629110 0.995718 0.718381 Ca\n0.129110 0.410729 0.633392 Ca\n0.589271 0.222663 0.718381 Ca\n0.089271 0.370890 0.366608 Ca\n0.120890 0.254282 0.781619 Ca\n0.620890 0.839271 0.866608 Ca\n0.894393 0.998272 0.149568 Ca\n0.394393 0.244825 0.896120 Ca\n0.248272 0.644393 0.649568 Ca\n0.748272 0.098704 0.603880 Ca\n0.855607 0.251728 0.350432 Ca\n0.355607 0.005175 0.603880 Ca\n0.501728 0.605607 0.850432 Ca\n0.001728 0.151296 0.896120 Ca\n0.348704 0.498272 0.103880 Ca\n0.848704 0.744825 0.850432 Ca\n0.494825 0.144393 0.396120 Ca\n0.994825 0.598704 0.350432 Ca\n0.401296 0.751728 0.396120 Ca\n0.901296 0.505175 0.649568 Ca\n0.255175 0.105607 0.103880 Ca\n0.755175 0.651296 0.149568 Ca\n0.978667 0.375000 0.103667 Ca\n0.478667 0.375000 0.603667 Ca\n0.625000 0.728667 0.603667 Ca\n0.125000 0.521333 0.896333 Ca\n0.771333 0.875000 0.396333 Ca\n0.271333 0.875000 0.896333 Ca\n0.625000 0.228667 0.103667 Ca\n0.125000 0.021333 0.396333 Ca\n0.123133 0.603110 0.162220 Ca\n0.623133 0.460912 0.520023 Ca\n0.853110 0.873133 0.662220 Ca\n0.353110 0.690890 0.979977 Ca\n0.626867 0.646890 0.337780 Ca\n0.126867 0.789088 0.979977 Ca\n0.896890 0.376867 0.837780 Ca\n0.396890 0.559110 0.520023 Ca\n0.940890 0.103110 0.479977 Ca\n0.440890 0.960912 0.837780 Ca\n0.710912 0.373133 0.020023 Ca\n0.210912 0.190890 0.337780 Ca\n0.809110 0.146890 0.020023 Ca\n0.309110 0.289088 0.662220 Ca\n0.039088 0.876867 0.479977 Ca\n0.539088 0.059110 0.162220 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.886002 0.886002 0.272003 Sb\n0.386002 0.113998 0.000000 Sb\n0.136002 0.636002 0.772003 Sb\n0.636002 0.863998 0.500000 Sb\n0.863998 0.363998 0.227997 Sb\n0.363998 0.136002 0.500000 Sb\n0.613998 0.613998 0.727997 Sb\n0.113998 0.386002 0.000000 Sb\n0.174647 0.818111 0.367104 Sb\n0.674647 0.307542 0.356535 Sb\n0.068111 0.924647 0.867104 Sb\n0.568111 0.701007 0.143465 Sb\n0.575353 0.431889 0.132896 Sb\n0.075353 0.942458 0.143465 Sb\n0.681889 0.325353 0.632896 Sb\n0.181889 0.548993 0.356535 Sb\n0.951007 0.318111 0.643465 Sb\n0.451007 0.807542 0.632896 Sb\n0.557542 0.424647 0.856535 Sb\n0.057542 0.201007 0.132896 Sb\n0.798993 0.931889 0.856535 Sb\n0.298993 0.442458 0.867104 Sb\n0.192458 0.825353 0.643465 Sb\n0.692458 0.048993 0.367104 Sb\n0.957917 0.604561 0.906385 Sb\n0.457917 0.551531 0.353355 Sb\n0.854561 0.707917 0.406385 Sb\n0.354561 0.948176 0.146645 Sb\n0.792083 0.645439 0.593615 Sb\n0.292083 0.698469 0.146645 Sb\n0.895439 0.542083 0.093615 Sb\n0.395439 0.301824 0.353355 Sb\n0.198176 0.104561 0.646645 Sb\n0.698176 0.051531 0.093615 Sb\n0.801531 0.207917 0.853355 Sb\n0.301531 0.448176 0.593615 Sb\n0.551824 0.145439 0.853355 Sb\n0.051824 0.198469 0.406385 Sb\n0.948469 0.042083 0.646645 Sb\n0.448469 0.801824 0.906385 Sb\n0.750000 0.750000 0.000000 Sb\n0.250000 0.250000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 104,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sb"
],
"chemical_system": "Ca-Mn-Sb",
"density": 4.1305082721752635,
"density_atomic": 0.033074580682110305,
"volume": 3144.408722806651,
"volume_molar": 18.207761476647573,
"formula_full": "Ca56 Mn4 Sb44",
"formula_reduced": "Ca14MnSb11",
"formula_anonymous": "AB11C14",
"energy": -440.28302091,
"energy_per_atom": -4.233490585673077,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -431.8350209100001,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.797000Z",
"spacegroup": 142
},
{
"id": "mp-1070440",
"created_at": "2022-09-04T14:45:26.195050Z",
"structure_string": "V1 Pb1 O3\n1.0\n3.932572 0.000000 0.000000\n0.000000 3.932572 0.000000\n0.000000 0.000000 3.932572\nV Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 8.35869929314855,
"density_atomic": 0.08221289779020582,
"volume": 60.81770785843361,
"volume_molar": 7.325055948480907,
"formula_full": "V1 Pb1 O3",
"formula_reduced": "VPbO3",
"formula_anonymous": "ABC3",
"energy": -37.7012076,
"energy_per_atom": -7.5402415199999995,
"energy_above_hull": null,
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"energy_uncorrected": -33.9402076,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:56.335000Z",
"spacegroup": 221
},
{
"id": "mp-1236075",
"created_at": "2022-09-04T14:45:26.223982Z",
"structure_string": "Li1 Sc2 Al2 C2 O2\n1.0\n1.630350 0.941281 13.270959\n-1.630350 0.941281 13.270959\n0.000000 -1.882566 13.270959\nLi Sc Al C O\n1 2 2 2 2\ndirect\n0.296413 0.296413 0.296413 Li\n0.039010 0.039010 0.039010 Sc\n0.499597 0.499597 0.499597 Sc\n0.759116 0.759116 0.759115 Al\n0.237340 0.237340 0.237340 Al\n0.588149 0.588149 0.588149 C\n0.405487 0.405487 0.405487 C\n0.189225 0.189225 0.189225 O\n0.804412 0.804412 0.804411 O\n",
"nsites": 9,
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"elements": [
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"Sc",
"Al",
"C",
"O"
],
"chemical_system": "Al-C-Li-O-Sc",
"density": 2.8107429308685994,
"density_atomic": 0.07365261929499009,
"volume": 122.19524690566146,
"volume_molar": 8.17641085632053,
"formula_full": "Li1 Sc2 Al2 C2 O2",
"formula_reduced": "LiSc2Al2(CO)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -62.73895609,
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"updated_at": "2021-11-28T01:37:10.319000Z",
"spacegroup": 160
},
{
"id": "mp-10854",
"created_at": "2022-09-04T14:45:26.231751Z",
"structure_string": "Tb2 B4 C4\n1.0\n5.358217 0.000000 0.000000\n0.000000 5.358217 0.000000\n0.000000 0.000000 3.600989\nTb B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.136917 0.636917 0.500000 B\n0.636917 0.863083 0.500000 B\n0.863083 0.363083 0.500000 B\n0.363083 0.136917 0.500000 B\n0.838338 0.661662 0.500000 C\n0.338338 0.838338 0.500000 C\n0.661662 0.161662 0.500000 C\n0.161662 0.338338 0.500000 C\n",
"nsites": 10,
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"elements": [
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"B",
"C"
],
"chemical_system": "B-C-Tb",
"density": 6.571371108251208,
"density_atomic": 0.09672474855949847,
"volume": 103.38615658275587,
"volume_molar": 6.226059875767565,
"formula_full": "Tb2 B4 C4",
"formula_reduced": "Tb(BC)2",
"formula_anonymous": "AB2C2",
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