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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10412",
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"results": [
{
"id": "mp-766249",
"created_at": "2022-09-04T14:46:24.639332Z",
"structure_string": "Bi24 Br10 O31\n1.0\n8.061874 0.000000 0.000000\n-0.051599 10.577679 0.000000\n-2.050002 -0.086104 15.366541\nBi Br O\n24 10 31\ndirect\n0.678491 0.082691 0.695923 Bi\n0.146931 0.058567 0.691419 Bi\n0.463556 0.067540 0.095007 Bi\n0.983691 0.074272 0.087934 Bi\n0.724826 0.250265 0.931343 Bi\n0.224437 0.207184 0.930128 Bi\n0.610233 0.251477 0.352202 Bi\n0.111672 0.254275 0.352773 Bi\n0.801367 0.386844 0.171789 Bi\n0.299725 0.390083 0.172738 Bi\n0.150530 0.435307 0.591640 Bi\n0.652192 0.448968 0.593919 Bi\n0.856950 0.549367 0.407682 Bi\n0.356881 0.549968 0.408798 Bi\n0.710016 0.611610 0.824521 Bi\n0.213365 0.602148 0.830390 Bi\n0.945731 0.747760 0.652487 Bi\n0.414457 0.750978 0.654123 Bi\n0.764930 0.791091 0.064610 Bi\n0.276884 0.752278 0.066603 Bi\n0.999158 0.898254 0.898349 Bi\n0.517164 0.943025 0.885244 Bi\n0.812656 0.910859 0.312085 Bi\n0.319713 0.910721 0.305987 Bi\n0.881230 0.206135 0.530501 Br\n0.380361 0.199178 0.531018 Br\n0.438866 0.357153 0.756179 Br\n0.939868 0.343236 0.757897 Br\n0.003025 0.499645 0.002633 Br\n0.506112 0.509152 0.998336 Br\n0.068906 0.651992 0.245313 Br\n0.570249 0.657347 0.245841 Br\n0.598645 0.836735 0.467207 Br\n0.099993 0.844729 0.454698 Br\n0.766710 0.977184 0.007474 O\n0.233400 0.028985 0.001202 O\n0.689018 0.089265 0.833732 O\n0.231257 0.052845 0.826199 O\n0.964379 0.154205 0.952246 O\n0.503386 0.140941 0.960222 O\n0.806541 0.106466 0.319474 O\n0.318220 0.106643 0.310619 O\n0.778348 0.230407 0.081433 O\n0.277859 0.235193 0.085726 O\n0.560033 0.305657 0.213922 O\n0.057863 0.302794 0.213452 O\n0.836093 0.372777 0.329184 O\n0.333182 0.374311 0.328808 O\n0.615172 0.464471 0.443297 O\n0.114249 0.458577 0.441384 O\n0.389067 0.528074 0.553451 O\n0.894898 0.533994 0.553333 O\n0.680329 0.629584 0.676877 O\n0.163861 0.611909 0.675340 O\n0.961519 0.706103 0.791817 O\n0.445609 0.688824 0.790904 O\n0.222588 0.765668 0.917533 O\n0.739906 0.782877 0.902745 O\n0.538876 0.919511 0.717519 O\n0.187798 0.861296 0.680647 O\n0.031512 0.842053 0.039763 O\n0.494089 0.861440 0.037338 O\n0.832382 0.925400 0.179230 O\n0.306298 0.915712 0.169741 O\n0.905832 0.974498 0.706438 O\n",
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"elements": [
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],
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"density": 7.996756457847647,
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"volume": 1310.3958489304962,
"volume_molar": 12.140597313198683,
"formula_full": "Bi24 Br10 O31",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.091000Z",
"spacegroup": 1
},
{
"id": "mp-852444",
"created_at": "2022-09-04T14:40:40.171366Z",
"structure_string": "Bi24 Br10 O31\n1.0\n10.577804 0.000000 0.000000\n-0.076103 15.502732 0.000000\n-0.039326 -1.066254 7.990956\nBi Br O\n24 10 31\ndirect\n0.695923 0.678491 0.082691 Bi\n0.691419 0.146931 0.058567 Bi\n0.095007 0.463556 0.067540 Bi\n0.087934 0.983691 0.074272 Bi\n0.931343 0.724826 0.250265 Bi\n0.930128 0.224437 0.207184 Bi\n0.352202 0.610233 0.251477 Bi\n0.352773 0.111672 0.254275 Bi\n0.171789 0.801367 0.386844 Bi\n0.172738 0.299725 0.390083 Bi\n0.591640 0.150530 0.435307 Bi\n0.593919 0.652192 0.448968 Bi\n0.407682 0.856950 0.549367 Bi\n0.408798 0.356881 0.549968 Bi\n0.824521 0.710016 0.611610 Bi\n0.830390 0.213365 0.602148 Bi\n0.652487 0.945731 0.747760 Bi\n0.654123 0.414457 0.750978 Bi\n0.064610 0.764930 0.791091 Bi\n0.066603 0.276884 0.752278 Bi\n0.898349 0.999158 0.898254 Bi\n0.885244 0.517164 0.943025 Bi\n0.312085 0.812656 0.910859 Bi\n0.305987 0.319713 0.910721 Bi\n0.530501 0.881230 0.206135 Br\n0.531018 0.380361 0.199178 Br\n0.756179 0.438866 0.357153 Br\n0.757897 0.939868 0.343236 Br\n0.002633 0.003025 0.499645 Br\n0.998336 0.506112 0.509152 Br\n0.245313 0.068906 0.651992 Br\n0.245841 0.570249 0.657347 Br\n0.467207 0.598645 0.836735 Br\n0.454698 0.099993 0.844729 Br\n0.007474 0.766710 0.977184 O\n0.001202 0.233400 0.028985 O\n0.833732 0.689018 0.089265 O\n0.826199 0.231257 0.052845 O\n0.952246 0.964379 0.154205 O\n0.960222 0.503386 0.140941 O\n0.319474 0.806541 0.106466 O\n0.310619 0.318220 0.106643 O\n0.081433 0.778348 0.230407 O\n0.085726 0.277859 0.235193 O\n0.213922 0.560033 0.305657 O\n0.213452 0.057863 0.302794 O\n0.329184 0.836093 0.372777 O\n0.328808 0.333182 0.374311 O\n0.443297 0.615172 0.464471 O\n0.441384 0.114249 0.458577 O\n0.553451 0.389067 0.528074 O\n0.553333 0.894898 0.533994 O\n0.676877 0.680329 0.629584 O\n0.675340 0.163861 0.611909 O\n0.791817 0.961519 0.706103 O\n0.790904 0.445609 0.688824 O\n0.917533 0.222588 0.765668 O\n0.902745 0.739906 0.782877 O\n0.717519 0.538876 0.919511 O\n0.680647 0.187798 0.861296 O\n0.039763 0.031512 0.842053 O\n0.037338 0.494089 0.861440 O\n0.179230 0.832382 0.925400 O\n0.169741 0.306298 0.915712 O\n0.706438 0.905832 0.974498 O\n",
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"elements": [
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"density": 7.996756723462261,
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"volume": 1310.3958054053146,
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"formula_full": "Bi24 Br10 O31",
"formula_reduced": "Bi24Br10O31",
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"energy": -138.92085683,
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"updated_at": "2021-11-28T01:35:08.626000Z",
"spacegroup": 1
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{
"id": "mp-1209786",
"created_at": "2022-09-04T14:45:56.855942Z",
"structure_string": "Nd4 Mg2 Pt2 O12\n1.0\n5.763957 0.000000 0.000000\n0.000000 5.510877 0.000000\n0.000000 5.474014 7.895013\nNd Mg Pt O\n4 2 2 12\ndirect\n0.437743 0.233654 0.749535 Nd\n0.562257 0.766346 0.250465 Nd\n0.937743 0.766346 0.750465 Nd\n0.062257 0.233654 0.249535 Nd\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.032255 0.348518 0.751728 O\n0.967745 0.651482 0.248272 O\n0.532255 0.651482 0.748272 O\n0.467745 0.348518 0.251728 O\n0.704513 0.857934 0.946634 O\n0.295487 0.142066 0.053366 O\n0.204513 0.142066 0.553366 O\n0.795487 0.857934 0.446634 O\n0.200556 0.752186 0.948317 O\n0.799444 0.247814 0.051683 O\n0.700556 0.247814 0.551683 O\n0.299444 0.752186 0.448317 O\n",
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"formula_full": "Nd4 Mg2 Pt2 O12",
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{
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"created_at": "2022-09-04T14:42:09.186690Z",
"structure_string": "Ba2 Mg3 Tl2 W4 O12\n1.0\n-1.990804 1.990804 22.052752\n1.990804 -1.990804 22.052752\n1.990804 1.990804 -22.052752\nBa Mg Tl W O\n2 3 2 4 12\ndirect\n0.164948 0.164948 0.000000 Ba\n0.835052 0.835052 0.000000 Ba\n0.080965 0.080965 0.000000 Mg\n0.919035 0.919035 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.725038 0.725038 0.000000 Tl\n0.274962 0.274962 0.000000 Tl\n0.544383 0.544383 0.000000 W\n0.397178 0.397178 0.000000 W\n0.602822 0.602822 0.000000 W\n0.455617 0.455617 0.000000 W\n0.893230 0.393230 0.500000 O\n0.031656 0.531656 0.500000 O\n0.221048 0.221048 0.000000 O\n0.468344 0.968344 0.500000 O\n0.778952 0.778952 0.000000 O\n0.606770 0.106770 0.500000 O\n0.106770 0.606770 0.500000 O\n0.350691 0.350691 0.000000 O\n0.393230 0.893230 0.500000 O\n0.531656 0.031656 0.500000 O\n0.968344 0.468344 0.500000 O\n0.649309 0.649309 0.000000 O\n",
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{
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"structure_string": "Zn4 Os2 N6\n1.0\n5.723108 0.090018 0.000000\n-2.832536 4.850293 0.000000\n0.000000 0.000000 5.381637\nZn Os N\n4 2 6\ndirect\n0.338079 0.820805 0.477682 Zn\n0.661921 0.482726 0.477682 Zn\n0.661921 0.179195 0.977682 Zn\n0.338079 0.517274 0.977682 Zn\n0.000000 0.846197 0.958595 Os\n0.000000 0.153803 0.458595 Os\n0.318472 0.849775 0.854712 N\n0.681528 0.531303 0.854712 N\n0.681528 0.150225 0.354712 N\n0.318472 0.468697 0.354712 N\n0.000000 0.836058 0.320999 N\n0.000000 0.163942 0.820999 N\n",
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{
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"structure_string": "Ti4 Bi2\n1.0\n-2.117950 2.117950 7.051765\n2.117950 -2.117950 7.051765\n2.117950 2.117950 -7.051765\nTi Bi\n4 2\ndirect\n0.862915 0.862915 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.137085 0.137085 0.000000 Ti\n0.650852 0.650852 0.000000 Bi\n0.349148 0.349148 0.000000 Bi\n",
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"nelements": 2,
"elements": [
"Ti",
"Bi"
],
"chemical_system": "Bi-Ti",
"density": 7.998026573473239,
"density_atomic": 0.04742005154103764,
"volume": 126.52875323864964,
"volume_molar": 12.699566036507568,
"formula_full": "Ti4 Bi2",
"formula_reduced": "Ti2Bi",
"formula_anonymous": "AB2",
"energy": -40.15156782,
"energy_per_atom": -6.691927969999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.15156782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0843713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.951000Z",
"spacegroup": 139
},
{
"id": "mp-1226807",
"created_at": "2022-09-04T14:47:28.909470Z",
"structure_string": "Ce2 Th1 O6\n1.0\n-1.953201 2.760734 5.854748\n1.953201 -2.760734 5.854748\n1.953201 2.760734 -5.854748\nCe Th O\n2 1 6\ndirect\n0.667506 0.667506 0.000000 Ce\n0.332494 0.332494 0.000000 Ce\n0.000000 0.000000 0.000000 Th\n0.745758 0.500000 0.245758 O\n0.420434 0.168325 0.252109 O\n0.083783 0.831675 0.252109 O\n0.254242 0.500000 0.754242 O\n0.916217 0.168325 0.747891 O\n0.579566 0.831675 0.747891 O\n",
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"nelements": 3,
"elements": [
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"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 7.998402725338766,
"density_atomic": 0.07126935188144845,
"volume": 126.28149074472947,
"volume_molar": 8.449832362748868,
"formula_full": "Ce2 Th1 O6",
"formula_reduced": "Ce2ThO6",
"formula_anonymous": "AB2C6",
"energy": -85.59194057,
"energy_per_atom": -9.510215618888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -81.46994057,
"band_gap": 1.9619,
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"is_magnetic": false,
"total_magnetization": 4.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.648000Z",
"spacegroup": 71
},
{
"id": "mp-10442",
"created_at": "2022-09-04T14:45:55.239741Z",
"structure_string": "Eu1 Cu4 As2\n1.0\n7.762418 -2.084502 0.000000\n7.762418 2.084502 0.000000\n7.202651 0.000000 3.566806\nEu Cu As\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.438994 0.438994 0.438994 Cu\n0.145696 0.145696 0.145696 Cu\n0.561006 0.561006 0.561006 Cu\n0.854304 0.854304 0.854304 Cu\n0.252328 0.252328 0.252328 As\n0.747672 0.747672 0.747672 As\n",
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"nelements": 3,
"elements": [
"Eu",
"Cu",
"As"
],
"chemical_system": "As-Cu-Eu",
"density": 7.998493375970071,
"density_atomic": 0.06064419202366089,
"volume": 115.42737674316587,
"volume_molar": 9.930284432927076,
"formula_full": "Eu1 Cu4 As2",
"formula_reduced": "Eu(Cu2As)2",
"formula_anonymous": "AB2C4",
"energy": -38.61980934,
"energy_per_atom": -5.51711562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.61980934,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.8734859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.236000Z",
"spacegroup": 166
}
]
}