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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12099",
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"results": [
{
"id": "mp-1097529",
"created_at": "2022-09-04T14:39:45.302657Z",
"structure_string": "Ba1 Tl2 Pb1\n1.0\n-7.163545 7.285220 10.126182\n7.163545 -7.285220 10.126182\n7.163545 7.285220 -10.126182\nBa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285412 0.000000 0.285412 Tl\n0.714588 0.000000 0.714588 Tl\n0.500000 0.000000 0.500000 Pb\n",
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"elements": [
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"chemical_system": "Ba-Pb-Tl",
"density": 0.5917482611767797,
"density_atomic": 0.0018922721895013107,
"volume": 2113.86079771862,
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"formula_full": "Ba1 Tl2 Pb1",
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{
"id": "mp-1097536",
"created_at": "2022-09-04T14:40:53.157644Z",
"structure_string": "Na1 In1 Pd2\n1.0\n-5.297331 5.729677 8.104755\n5.297331 -5.729677 8.104755\n5.297331 5.729677 -8.104755\nNa In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 In\n0.000000 0.262077 0.262077 Pd\n0.000000 0.737923 0.737923 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Na-Pd",
"density": 0.5917428853642931,
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"volume": 983.9819521397803,
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"formula_full": "Na1 In1 Pd2",
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"updated_at": "2021-11-28T01:35:00.903000Z",
"spacegroup": 71
},
{
"id": "mp-1097668",
"created_at": "2022-09-04T14:39:11.044563Z",
"structure_string": "Li1 Ag2 Sb1\n1.0\n-5.334480 5.659598 8.004992\n5.334480 -5.659598 8.004992\n5.334480 5.659598 -8.004992\nLi Ag Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.247229 0.247229 Ag\n0.000000 0.752771 0.752771 Ag\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag",
"Sb"
],
"chemical_system": "Ag-Li-Sb",
"density": 0.5916444985216064,
"density_atomic": 0.004137723082578152,
"volume": 966.7152489836659,
"volume_molar": 145.54238260545208,
"formula_full": "Li1 Ag2 Sb1",
"formula_reduced": "LiAg2Sb",
"formula_anonymous": "ABC2",
"energy": -7.04148257,
"energy_per_atom": -1.7603706425,
"energy_above_hull": null,
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"energy_uncorrected": -6.84948257,
"band_gap": 0.3167,
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"total_magnetization": 1.9999483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.287000Z",
"spacegroup": 71
},
{
"id": "mp-1093838",
"created_at": "2022-09-04T14:46:32.080072Z",
"structure_string": "La2 Ga1 Ir1\n1.0\n-5.399111 7.282420 9.639912\n5.399111 -7.282420 9.639912\n5.399111 7.282420 -9.639912\nLa Ga Ir\n2 1 1\ndirect\n0.000000 0.271820 0.271820 La\n0.000000 0.728180 0.728180 La\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
"La",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-La",
"density": 0.5911687457648696,
"density_atomic": 0.002638329004958467,
"volume": 1516.1111417425245,
"volume_molar": 228.25586758444484,
"formula_full": "La2 Ga1 Ir1",
"formula_reduced": "La2GaIr",
"formula_anonymous": "ABC2",
"energy": -15.74211734,
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"energy_above_hull": null,
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"energy_uncorrected": -15.74211734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6343386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.653000Z",
"spacegroup": 71
},
{
"id": "mp-1093858",
"created_at": "2022-09-04T14:42:48.924202Z",
"structure_string": "Nb2 V1 Tc1\n1.0\n-4.547519 6.047666 8.547593\n4.547519 -6.047666 8.547593\n4.547519 6.047666 -8.547593\nNb V Tc\n2 1 1\ndirect\n0.000000 0.257997 0.257997 Nb\n0.000000 0.742003 0.742003 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"V",
"Tc"
],
"chemical_system": "Nb-Tc-V",
"density": 0.5911654763167578,
"density_atomic": 0.0042539643403638845,
"volume": 940.2993725278477,
"volume_molar": 141.5653794475594,
"formula_full": "Nb2 V1 Tc1",
"formula_reduced": "Nb2VTc",
"formula_anonymous": "ABC2",
"energy": -23.20456072,
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"energy_above_hull": null,
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"energy_uncorrected": -23.20456072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.032445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.341000Z",
"spacegroup": 71
},
{
"id": "mp-1093711",
"created_at": "2022-09-04T14:43:10.498285Z",
"structure_string": "Be1 Si1 Tc2\n1.0\n-4.583539 5.028227 7.107348\n4.583539 -5.028227 7.107348\n4.583539 5.028227 -7.107348\nBe Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Si\n0.000000 0.252047 0.252047 Tc\n0.000000 0.747953 0.747953 Tc\n",
"nsites": 4,
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"elements": [
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"Si",
"Tc"
],
"chemical_system": "Be-Si-Tc",
"density": 0.5907499229788242,
"density_atomic": 0.006104872705455838,
"volume": 655.2143169873561,
"volume_molar": 98.64482112162796,
"formula_full": "Be1 Si1 Tc2",
"formula_reduced": "BeSiTc2",
"formula_anonymous": "ABC2",
"energy": -17.17286974,
"energy_per_atom": -4.293217435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.17286974,
"band_gap": 0.262,
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"is_magnetic": true,
"total_magnetization": 5.9998454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.542000Z",
"spacegroup": 71
},
{
"id": "mp-1097406",
"created_at": "2022-09-04T14:43:22.739410Z",
"structure_string": "Sc2 Cd1 Pt1\n1.0\n-5.451780 6.132610 8.354619\n5.451780 -6.132610 8.354619\n5.451780 6.132610 -8.354619\nSc Cd Pt\n2 1 1\ndirect\n0.000000 0.283896 0.283896 Sc\n0.000000 0.716104 0.716104 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
"Sc",
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Sc",
"density": 0.5906281038201483,
"density_atomic": 0.003580054860100738,
"volume": 1117.301314172444,
"volume_molar": 168.21364463198603,
"formula_full": "Sc2 Cd1 Pt1",
"formula_reduced": "Sc2CdPt",
"formula_anonymous": "ABC2",
"energy": -13.12318263,
"energy_per_atom": -3.2807956575,
"energy_above_hull": null,
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"energy_uncorrected": -13.12318263,
"band_gap": 0.0765000000000002,
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"total_magnetization": 1.9999952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.939000Z",
"spacegroup": 71
},
{
"id": "mp-1096011",
"created_at": "2022-09-04T14:40:35.830905Z",
"structure_string": "Mg1 Ge1 Ru2\n1.0\n-5.029634 5.446346 7.677582\n5.029634 -5.446346 7.677582\n5.029634 5.446346 -7.677582\nMg Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.272539 0.272539 Ru\n0.000000 0.727461 0.727461 Ru\n",
"nsites": 4,
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"elements": [
"Mg",
"Ge",
"Ru"
],
"chemical_system": "Ge-Mg-Ru",
"density": 0.5903610054200824,
"density_atomic": 0.004754818295913834,
"volume": 841.2519156489102,
"volume_molar": 126.65343626643461,
"formula_full": "Mg1 Ge1 Ru2",
"formula_reduced": "MgGeRu2",
"formula_anonymous": "ABC2",
"energy": -14.06920766,
"energy_per_atom": -3.517301915,
"energy_above_hull": null,
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"energy_uncorrected": -14.06920766,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.234000Z",
"spacegroup": 71
},
{
"id": "mp-1093701",
"created_at": "2022-09-04T14:40:58.695591Z",
"structure_string": "Na1 Sb1 Pd2\n1.0\n-5.319772 5.540727 8.531744\n5.319772 -5.540727 8.531744\n5.319772 5.540727 -8.531744\nNa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sb\n0.000000 0.271129 0.271129 Pd\n0.000000 0.728871 0.728871 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Pd"
],
"chemical_system": "Na-Pd-Sb",
"density": 0.5903051930856226,
"density_atomic": 0.003976513055736263,
"volume": 1005.9064169875807,
"volume_molar": 151.44275086216166,
"formula_full": "Na1 Sb1 Pd2",
"formula_reduced": "NaSbPd2",
"formula_anonymous": "ABC2",
"energy": -10.33137878,
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"energy_uncorrected": -10.33137878,
"band_gap": 0.1654999999999997,
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"updated_at": "2021-11-28T01:35:11.849000Z",
"spacegroup": 71
},
{
"id": "mp-1096567",
"created_at": "2022-09-04T14:45:39.339201Z",
"structure_string": "Li1 P1 Rh2\n1.0\n-4.788052 5.050737 7.088531\n4.788052 -5.050737 7.088531\n4.788052 5.050737 -7.088531\nLi P Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 P\n0.000000 0.290078 0.290078 Rh\n0.000000 0.709922 0.709922 Rh\n",
"nsites": 4,
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"elements": [
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"P",
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],
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"density": 0.5902291942008452,
"density_atomic": 0.005833512649954837,
"volume": 685.6932075103956,
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"formula_full": "Li1 P1 Rh2",
"formula_reduced": "LiPRh2",
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"updated_at": "2021-11-28T01:37:07.660000Z",
"spacegroup": 71
},
{
"id": "mp-1097164",
"created_at": "2022-09-04T14:43:23.846645Z",
"structure_string": "Ti2 Cr1 Rh1\n1.0\n-4.949750 4.961203 7.184428\n4.949750 -4.961203 7.184428\n4.949750 4.961203 -7.184428\nTi Cr Rh\n2 1 1\ndirect\n0.000000 0.278570 0.278570 Ti\n0.000000 0.721430 0.721430 Ti\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"density": 0.5897519766120537,
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"volume": 705.7037903825562,
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"formula_full": "Ti2 Cr1 Rh1",
"formula_reduced": "Ti2CrRh",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:13.270000Z",
"spacegroup": 71
},
{
"id": "mp-1097147",
"created_at": "2022-09-04T14:46:58.909375Z",
"structure_string": "Mg1 Be2 Os1\n1.0\n-4.575315 5.050968 7.090159\n4.575315 -5.050968 7.090159\n4.575315 5.050968 -7.090159\nMg Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.272182 0.272181 Be\n0.000000 0.727819 0.727818 Be\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"density": 0.5892116781556286,
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"volume": 655.4077652270317,
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"formula_full": "Mg1 Be2 Os1",
"formula_reduced": "MgBe2Os",
"formula_anonymous": "ABC2",
"energy": -9.24358396,
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"energy_uncorrected": -9.24358396,
"band_gap": 0.3757999999999999,
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"total_magnetization": 2.0000099,
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"updated_at": "2021-11-28T01:37:45.724000Z",
"spacegroup": 71
}
]
}