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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1732",
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"results": [
{
"id": "mp-1483",
"created_at": "2022-09-04T14:41:06.218392Z",
"structure_string": "Si4 Rh4\n1.0\n4.729496 0.000000 0.000000\n0.000000 4.729496 0.000000\n0.000000 0.000000 4.729496\nSi Rh\n4 4\ndirect\n0.158099 0.341901 0.658099 Si\n0.341901 0.658099 0.158099 Si\n0.658099 0.158099 0.341901 Si\n0.841901 0.841901 0.841901 Si\n0.847689 0.652311 0.347689 Rh\n0.652311 0.347689 0.847689 Rh\n0.347689 0.847689 0.652311 Rh\n0.152311 0.152311 0.152311 Rh\n",
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"elements": [
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"Rh"
],
"chemical_system": "Rh-Si",
"density": 8.224432846923474,
"density_atomic": 0.07562151948218847,
"volume": 105.78999277955903,
"volume_molar": 7.963527843973601,
"formula_full": "Si4 Rh4",
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"spacegroup": 198
},
{
"id": "mp-1228792",
"created_at": "2022-09-04T14:41:06.711823Z",
"structure_string": "As4 P4 Pt4\n1.0\n5.910585 0.000000 0.000000\n0.000000 5.910585 0.000000\n0.000000 0.000000 5.910585\nAs P Pt\n4 4 4\ndirect\n0.112857 0.887143 0.387143 As\n0.887143 0.387143 0.112857 As\n0.387143 0.112857 0.887143 As\n0.612857 0.612857 0.612857 As\n0.885396 0.114604 0.614604 P\n0.114604 0.614604 0.885396 P\n0.614604 0.885396 0.114604 P\n0.385396 0.385396 0.385396 P\n0.490859 0.509141 0.009141 Pt\n0.509141 0.009141 0.490859 Pt\n0.009141 0.490859 0.509141 Pt\n0.990859 0.990859 0.990859 Pt\n",
"nsites": 12,
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"elements": [
"As",
"P",
"Pt"
],
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"density": 9.681762037872932,
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"volume": 206.4863758833495,
"volume_molar": 10.362416838265,
"formula_full": "As4 P4 Pt4",
"formula_reduced": "AsPPt",
"formula_anonymous": "ABC",
"energy": -71.57002727,
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"updated_at": "2021-11-28T01:35:18.287000Z",
"spacegroup": 198
},
{
"id": "mp-1210176",
"created_at": "2022-09-04T14:41:07.012976Z",
"structure_string": "Ni8 S12 N8 O48\n1.0\n10.009413 0.000000 0.000000\n0.000000 10.009413 0.000000\n0.000000 0.000000 10.009413\nNi S N O\n8 12 8 48\ndirect\n0.336319 0.336319 0.336319 Ni\n0.163681 0.663681 0.836319 Ni\n0.663681 0.836319 0.163681 Ni\n0.836319 0.163681 0.663681 Ni\n0.599023 0.599023 0.599023 Ni\n0.900977 0.400977 0.099023 Ni\n0.400977 0.099023 0.900977 Ni\n0.099023 0.900977 0.400977 Ni\n0.017114 0.216244 0.375541 S\n0.482886 0.783756 0.875541 S\n0.982886 0.716244 0.124459 S\n0.375541 0.017114 0.216244 S\n0.517114 0.283756 0.624459 S\n0.875541 0.482886 0.783756 S\n0.124459 0.982886 0.716244 S\n0.624459 0.517114 0.283756 S\n0.216244 0.375541 0.017114 S\n0.716244 0.124459 0.982886 S\n0.283756 0.624459 0.517114 S\n0.783756 0.875541 0.482886 S\n0.048070 0.048070 0.048070 N\n0.451930 0.951930 0.548070 N\n0.951930 0.548070 0.451930 N\n0.548070 0.451930 0.951930 N\n0.816275 0.816275 0.816275 N\n0.683725 0.183725 0.316275 N\n0.183725 0.316275 0.683725 N\n0.316275 0.683725 0.183725 N\n0.011949 0.074243 0.331242 O\n0.488051 0.925757 0.831242 O\n0.988051 0.574243 0.168758 O\n0.331242 0.011949 0.074243 O\n0.511949 0.425757 0.668758 O\n0.831242 0.488051 0.925757 O\n0.168758 0.988051 0.574243 O\n0.668758 0.511949 0.425757 O\n0.074243 0.331242 0.011949 O\n0.574243 0.168758 0.988051 O\n0.425757 0.668758 0.511949 O\n0.925757 0.831242 0.488051 O\n0.267181 0.499504 0.440447 O\n0.232819 0.500496 0.940447 O\n0.732819 0.999504 0.059553 O\n0.440447 0.267181 0.499504 O\n0.767181 0.000496 0.559553 O\n0.940447 0.232819 0.500496 O\n0.059553 0.732819 0.999504 O\n0.559553 0.767181 0.000496 O\n0.499504 0.440447 0.267181 O\n0.999504 0.059553 0.732819 O\n0.000496 0.559553 0.767181 O\n0.500496 0.940447 0.232819 O\n0.041566 0.803500 0.226723 O\n0.458434 0.196500 0.726723 O\n0.958434 0.303500 0.273277 O\n0.226723 0.041566 0.803500 O\n0.541566 0.696500 0.773277 O\n0.726723 0.458434 0.196500 O\n0.273277 0.958434 0.303500 O\n0.773277 0.541566 0.696500 O\n0.803500 0.226723 0.041566 O\n0.303500 0.273277 0.958434 O\n0.696500 0.773277 0.541566 O\n0.196500 0.726723 0.458434 O\n0.158075 0.252857 0.401094 O\n0.341925 0.747143 0.901094 O\n0.841925 0.752857 0.098906 O\n0.401094 0.158075 0.252857 O\n0.658075 0.247143 0.598906 O\n0.901094 0.341925 0.747143 O\n0.098906 0.841925 0.752857 O\n0.598906 0.658075 0.247143 O\n0.252857 0.401094 0.158075 O\n0.752857 0.098906 0.841925 O\n0.247143 0.598906 0.658075 O\n0.747143 0.901094 0.341925 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Ni",
"S",
"N",
"O"
],
"chemical_system": "N-Ni-O-S",
"density": 2.871841820973177,
"density_atomic": 0.07578578700386199,
"volume": 1002.8265589711049,
"volume_molar": 7.946266705250572,
"formula_full": "Ni8 S12 N8 O48",
"formula_reduced": "Ni2S3(NO6)2",
"formula_anonymous": "A2B2C3D12",
"energy": -462.71582886,
"energy_per_atom": -6.088366169210526,
"energy_above_hull": null,
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"energy_uncorrected": -409.41182886,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.282000Z",
"spacegroup": 198
},
{
"id": "mp-6623",
"created_at": "2022-09-04T14:41:07.237173Z",
"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.595178 0.000000 0.000000\n0.000000 10.595178 0.000000\n0.000000 0.000000 10.595178\nRb Cd S O\n8 8 12 48\ndirect\n0.437760 0.937760 0.562240 Rb\n0.562240 0.437760 0.937760 Rb\n0.698496 0.801504 0.198496 Rb\n0.937760 0.562240 0.437760 Rb\n0.301504 0.301504 0.301504 Rb\n0.198496 0.698496 0.801504 Rb\n0.801504 0.198496 0.698496 Rb\n0.062240 0.062240 0.062240 Rb\n0.418910 0.081090 0.918910 Cd\n0.918910 0.418910 0.081090 Cd\n0.081090 0.918910 0.418910 Cd\n0.581090 0.581090 0.581090 Cd\n0.164329 0.335671 0.664329 Cd\n0.335671 0.664329 0.164329 Cd\n0.835671 0.835671 0.835671 Cd\n0.664329 0.164329 0.335671 Cd\n0.374326 0.976338 0.236399 S\n0.874326 0.523662 0.763601 S\n0.625674 0.476338 0.263601 S\n0.523662 0.763601 0.874326 S\n0.263601 0.625674 0.476338 S\n0.763601 0.874326 0.523662 S\n0.976338 0.236399 0.374326 S\n0.236399 0.374326 0.976338 S\n0.476338 0.263601 0.625674 S\n0.125674 0.023662 0.736399 S\n0.736399 0.125674 0.023662 S\n0.023662 0.736399 0.125674 S\n0.336609 0.003505 0.103796 O\n0.836609 0.496495 0.896204 O\n0.663391 0.503505 0.396204 O\n0.496495 0.896204 0.836609 O\n0.396204 0.663391 0.503505 O\n0.896204 0.836609 0.496495 O\n0.003505 0.103796 0.336609 O\n0.103796 0.336609 0.003505 O\n0.503505 0.396204 0.663391 O\n0.996495 0.603796 0.163391 O\n0.603796 0.163391 0.996495 O\n0.163391 0.996495 0.603796 O\n0.261742 0.994062 0.318998 O\n0.761742 0.505938 0.681002 O\n0.738258 0.494062 0.181002 O\n0.505938 0.681002 0.761742 O\n0.181002 0.738258 0.494062 O\n0.681002 0.761742 0.505938 O\n0.252253 0.576439 0.344161 O\n0.994062 0.318998 0.261742 O\n0.494062 0.181002 0.738258 O\n0.005938 0.818998 0.238258 O\n0.818998 0.238258 0.005938 O\n0.238258 0.005938 0.818998 O\n0.423561 0.844161 0.247747 O\n0.923561 0.655839 0.752253 O\n0.576439 0.344161 0.252253 O\n0.655839 0.752253 0.923561 O\n0.026546 0.934923 0.780311 O\n0.780311 0.026546 0.934923 O\n0.934923 0.780311 0.026546 O\n0.565077 0.219689 0.526546 O\n0.280311 0.473454 0.065077 O\n0.065077 0.280311 0.473454 O\n0.719689 0.973454 0.434923 O\n0.219689 0.526546 0.565077 O\n0.434923 0.719689 0.973454 O\n0.526546 0.565077 0.219689 O\n0.973454 0.434923 0.719689 O\n0.473454 0.065077 0.280311 O\n0.076439 0.155839 0.747747 O\n0.747747 0.076439 0.155839 O\n0.155839 0.747747 0.076439 O\n0.344161 0.252253 0.576439 O\n0.247747 0.423561 0.844161 O\n0.844161 0.247747 0.423561 O\n0.752253 0.923561 0.655839 O\n0.318998 0.261742 0.994062 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-Rb-S",
"density": 3.8194932765149843,
"density_atomic": 0.06389822884530223,
"volume": 1189.3913395314319,
"volume_molar": 9.424581664977941,
"formula_full": "Rb8 Cd8 S12 O48",
"formula_reduced": "Rb2Cd2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -454.78183528,
"energy_per_atom": -5.9839715168421055,
"energy_above_hull": null,
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"energy_uncorrected": -421.80583528000005,
"band_gap": 3.676,
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"updated_at": "2021-11-28T01:35:20.734000Z",
"spacegroup": 198
},
{
"id": "mp-768232",
"created_at": "2022-09-04T14:41:07.747596Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n8.862153 0.000000 0.000000\n0.000000 8.862153 0.000000\n0.000000 0.000000 8.862153\nRb Sb O\n12 4 12\ndirect\n0.024884 0.024884 0.024884 Rb\n0.212309 0.287691 0.712309 Rb\n0.218052 0.718052 0.781948 Rb\n0.281948 0.281948 0.281948 Rb\n0.287691 0.712309 0.212309 Rb\n0.475116 0.975116 0.524884 Rb\n0.524884 0.475116 0.975116 Rb\n0.712309 0.212309 0.287691 Rb\n0.718052 0.781948 0.218052 Rb\n0.781948 0.218052 0.718052 Rb\n0.787691 0.787691 0.787691 Rb\n0.975116 0.524884 0.475116 Rb\n0.010432 0.989568 0.489568 Sb\n0.489568 0.010432 0.989568 Sb\n0.510432 0.510432 0.510432 Sb\n0.989568 0.489568 0.010432 Sb\n0.004590 0.206546 0.443003 O\n0.056997 0.995410 0.706546 O\n0.206546 0.443003 0.004590 O\n0.293454 0.556997 0.504590 O\n0.443003 0.004590 0.206546 O\n0.495410 0.793454 0.943003 O\n0.504590 0.293454 0.556997 O\n0.556997 0.504590 0.293454 O\n0.706546 0.056997 0.995410 O\n0.793454 0.943003 0.495410 O\n0.943003 0.495410 0.793454 O\n0.995410 0.706546 0.056997 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 4.066920400481271,
"density_atomic": 0.040229098501400135,
"volume": 696.0136081355511,
"volume_molar": 14.969613996670605,
"formula_full": "Rb12 Sb4 O12",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy": -137.51125357,
"energy_per_atom": -4.911116198928572,
"energy_above_hull": null,
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"band_gap": 3.1608,
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"updated_at": "2021-11-28T01:35:09.065000Z",
"spacegroup": 198
},
{
"id": "mp-23339",
"created_at": "2022-09-04T14:41:08.957897Z",
"structure_string": "Na4 Br4 O12\n1.0\n6.820002 0.000000 0.000000\n0.000000 6.820002 0.000000\n0.000000 0.000000 6.820002\nNa Br O\n4 4 12\ndirect\n0.078486 0.078486 0.078486 Na\n0.421514 0.921514 0.578486 Na\n0.578486 0.421514 0.921514 Na\n0.921514 0.578486 0.421514 Na\n0.404333 0.404333 0.404333 Br\n0.095667 0.595667 0.904333 Br\n0.904333 0.095667 0.595667 Br\n0.595667 0.904333 0.095667 Br\n0.214721 0.401255 0.001847 O\n0.714721 0.098745 0.998153 O\n0.785279 0.901255 0.498153 O\n0.098745 0.998153 0.714721 O\n0.498153 0.785279 0.901255 O\n0.998153 0.714721 0.098745 O\n0.401255 0.001847 0.214721 O\n0.001847 0.214721 0.401255 O\n0.285279 0.598745 0.501847 O\n0.501847 0.285279 0.598745 O\n0.598745 0.501847 0.285279 O\n0.901255 0.498153 0.785279 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Br",
"O"
],
"chemical_system": "Br-Na-O",
"density": 3.159524368250208,
"density_atomic": 0.06304875129411587,
"volume": 317.2148470744818,
"volume_molar": 9.551562301222017,
"formula_full": "Na4 Br4 O12",
"formula_reduced": "NaBrO3",
"formula_anonymous": "ABC3",
"energy": -91.27143084,
"energy_per_atom": -4.563571542,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -83.02743084,
"band_gap": 4.4812,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.151000Z",
"spacegroup": 198
},
{
"id": "mp-567185",
"created_at": "2022-09-04T14:41:12.196664Z",
"structure_string": "Sn4 Hg24 As16 Br24\n1.0\n12.747006 0.000000 0.000000\n0.000000 12.747006 0.000000\n0.000000 0.000000 12.747006\nSn Hg As Br\n4 24 16 24\ndirect\n0.726595 0.273405 0.773405 Sn\n0.273405 0.773405 0.726595 Sn\n0.773405 0.726595 0.273405 Sn\n0.226595 0.226595 0.226595 Sn\n0.528253 0.765511 0.538119 Hg\n0.234489 0.038119 0.971747 Hg\n0.473473 0.517810 0.261932 Hg\n0.961881 0.471747 0.265511 Hg\n0.017810 0.238068 0.526527 Hg\n0.028253 0.734489 0.461881 Hg\n0.026527 0.482190 0.761932 Hg\n0.538119 0.528253 0.765511 Hg\n0.761932 0.026527 0.482190 Hg\n0.517810 0.261932 0.473473 Hg\n0.738068 0.973473 0.982190 Hg\n0.482190 0.761932 0.026527 Hg\n0.261932 0.473473 0.517810 Hg\n0.038119 0.971747 0.234489 Hg\n0.238068 0.526527 0.017810 Hg\n0.526527 0.017810 0.238068 Hg\n0.765511 0.538119 0.528253 Hg\n0.461881 0.028253 0.734489 Hg\n0.973473 0.982190 0.738068 Hg\n0.971747 0.234489 0.038119 Hg\n0.734489 0.461881 0.028253 Hg\n0.471747 0.265511 0.961881 Hg\n0.982190 0.738068 0.973473 Hg\n0.265511 0.961881 0.471747 Hg\n0.067307 0.932693 0.432693 As\n0.931714 0.931714 0.931714 As\n0.567307 0.567307 0.567307 As\n0.456653 0.956653 0.543347 As\n0.455917 0.455917 0.455917 As\n0.932693 0.432694 0.067307 As\n0.955917 0.044083 0.544083 As\n0.043347 0.043347 0.043347 As\n0.568286 0.068286 0.431714 As\n0.431714 0.568286 0.068286 As\n0.068286 0.431714 0.568286 As\n0.044083 0.544083 0.955917 As\n0.544083 0.955917 0.044083 As\n0.956653 0.543347 0.456653 As\n0.543347 0.456653 0.956653 As\n0.432693 0.067307 0.932693 As\n0.706860 0.055610 0.741464 Br\n0.793140 0.944390 0.241464 Br\n0.444390 0.258536 0.206860 Br\n0.555610 0.758536 0.293140 Br\n0.297106 0.973653 0.232450 Br\n0.206860 0.444390 0.258536 Br\n0.026347 0.732450 0.202894 Br\n0.473653 0.267550 0.702894 Br\n0.973653 0.232450 0.297106 Br\n0.241464 0.793140 0.944390 Br\n0.055610 0.741464 0.706860 Br\n0.267550 0.702894 0.473653 Br\n0.258536 0.206860 0.444390 Br\n0.758536 0.293140 0.555610 Br\n0.767550 0.797106 0.526347 Br\n0.526347 0.767550 0.797106 Br\n0.732450 0.202894 0.026347 Br\n0.797106 0.526347 0.767550 Br\n0.944390 0.241464 0.793140 Br\n0.293140 0.555610 0.758536 Br\n0.741464 0.706860 0.055610 Br\n0.232450 0.297106 0.973653 Br\n0.202894 0.026347 0.732450 Br\n0.702894 0.473653 0.267550 Br\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Sn",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Hg-Sn",
"density": 6.738838708830633,
"density_atomic": 0.032831017455081206,
"volume": 2071.212081472539,
"volume_molar": 18.342839262412085,
"formula_full": "Sn4 Hg24 As16 Br24",
"formula_reduced": "SnHg6(As2Br3)2",
"formula_anonymous": "AB4C6D6",
"energy": -174.18524869,
"energy_per_atom": -2.5615477748529414,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -161.36924869,
"band_gap": 1.3664,
"is_gap_direct": false,
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