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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=1733",
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"results": [
{
"id": "mp-865355",
"created_at": "2022-09-04T14:45:29.003204Z",
"structure_string": "Zn3 Pt1\n1.0\n-1.893652 1.893652 4.059374\n1.893652 -1.893652 4.059374\n1.893652 1.893652 -4.059374\nZn Pt\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
"Zn",
"Pt"
],
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"density": 11.159680345158755,
"density_atomic": 0.06869744617286615,
"volume": 58.226327510554604,
"volume_molar": 8.766178505160505,
"formula_full": "Zn3 Pt1",
"formula_reduced": "Zn3Pt",
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"updated_at": "2021-11-28T01:37:01.397000Z",
"spacegroup": 139
},
{
"id": "mp-1187983",
"created_at": "2022-09-04T14:47:34.908933Z",
"structure_string": "Zn1 Re1\n1.0\n1.374109 -2.380027 0.000000\n1.374109 2.380027 0.000000\n0.000000 0.000000 4.494066\nZn Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Re\n",
"nsites": 2,
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"elements": [
"Zn",
"Re"
],
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"density": 14.21395190382892,
"density_atomic": 0.06803893166595824,
"volume": 29.394935385216453,
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"formula_full": "Zn1 Re1",
"formula_reduced": "ZnRe",
"formula_anonymous": "AB",
"energy": -13.25535721,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.794000Z",
"spacegroup": 187
},
{
"id": "mp-13447",
"created_at": "2022-09-04T14:44:27.096019Z",
"structure_string": "Zn13 Rh1\n1.0\n3.802132 5.490137 0.000000\n-3.802132 5.490137 0.000000\n0.000000 1.045675 5.045225\nZn Rh\n13 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.618391 0.221517 0.320711 Zn\n0.778483 0.381609 0.679289 Zn\n0.381609 0.778483 0.679289 Zn\n0.221517 0.618391 0.320711 Zn\n0.361383 0.997269 0.197816 Zn\n0.002731 0.638617 0.802184 Zn\n0.638617 0.002731 0.802184 Zn\n0.997269 0.361383 0.197816 Zn\n0.776058 0.776058 0.369418 Zn\n0.223942 0.223942 0.630582 Zn\n0.612466 0.612466 0.071331 Zn\n0.387534 0.387534 0.928669 Zn\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 7.514887360912997,
"density_atomic": 0.06646716091787946,
"volume": 210.63032942383498,
"volume_molar": 9.06032494368217,
"formula_full": "Zn13 Rh1",
"formula_reduced": "Zn13Rh",
"formula_anonymous": "AB13",
"energy": -25.56161311,
"energy_per_atom": -1.825829507857143,
"energy_above_hull": null,
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"energy_uncorrected": -25.56161311,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0084732,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.744000Z",
"spacegroup": 12
},
{
"id": "mp-13448",
"created_at": "2022-09-04T14:40:03.534834Z",
"structure_string": "Zn22 Rh4\n1.0\n-4.568306 4.568306 4.568306\n4.568306 -4.568306 4.568306\n4.568306 4.568306 -4.568306\nZn Rh\n22 4\ndirect\n0.000000 0.786667 0.000000 Zn\n0.786667 0.000000 0.000000 Zn\n0.000000 0.000000 0.786667 Zn\n0.213333 0.213333 0.213333 Zn\n0.351192 0.617159 0.351192 Zn\n0.265967 0.000000 0.648808 Zn\n0.648808 0.000000 0.265967 Zn\n0.265967 0.648808 0.000000 Zn\n0.734033 0.734033 0.382841 Zn\n0.382841 0.734033 0.734033 Zn\n0.000000 0.648808 0.265967 Zn\n0.000000 0.265967 0.648808 Zn\n0.648808 0.265967 0.000000 Zn\n0.351192 0.351192 0.617159 Zn\n0.617159 0.351192 0.351192 Zn\n0.734033 0.382841 0.734033 Zn\n0.355994 0.355994 0.000000 Zn\n0.000000 0.644006 0.644006 Zn\n0.000000 0.355994 0.355994 Zn\n0.355994 0.000000 0.355994 Zn\n0.644006 0.000000 0.644006 Zn\n0.644006 0.644006 0.000000 Zn\n0.000000 0.343351 0.000000 Rh\n0.343351 0.000000 0.000000 Rh\n0.000000 0.000000 0.343351 Rh\n0.656649 0.656649 0.656649 Rh\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 8.058251124942036,
"density_atomic": 0.06817855566434962,
"volume": 381.35158110419354,
"volume_molar": 8.832895770992344,
"formula_full": "Zn22 Rh4",
"formula_reduced": "Zn11Rh2",
"formula_anonymous": "A2B11",
"energy": -63.98216586,
"energy_per_atom": -2.460852533076923,
"energy_above_hull": null,
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"energy_uncorrected": -63.98216586,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0008583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.063000Z",
"spacegroup": 217
},
{
"id": "mp-971779",
"created_at": "2022-09-04T14:47:19.977350Z",
"structure_string": "Zn1 Rh3\n1.0\n-1.914358 1.914358 3.842235\n1.914358 -1.914358 3.842235\n1.914358 1.914358 -3.842235\nZn Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 11.030016892521903,
"density_atomic": 0.07101821643795948,
"volume": 56.32357725421539,
"volume_molar": 8.479712758290484,
"formula_full": "Zn1 Rh3",
"formula_reduced": "ZnRh3",
"formula_anonymous": "AB3",
"energy": -24.03021389,
"energy_per_atom": -6.0075534725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -24.03021389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.831000Z",
"spacegroup": 139
},
{
"id": "mp-6938",
"created_at": "2022-09-04T14:41:09.154831Z",
"structure_string": "Zn1 Rh1\n1.0\n3.030438 0.000000 0.000000\n0.000000 3.030438 0.000000\n0.000000 0.000000 3.030438\nZn Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 10.04279087405066,
"density_atomic": 0.07186439705156333,
"volume": 27.830192446545993,
"volume_molar": 8.379866814549436,
"formula_full": "Zn1 Rh1",
"formula_reduced": "ZnRh",
"formula_anonymous": "AB",
"energy": -9.39274563,
"energy_per_atom": -4.696372815,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.39274563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038307,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.947000Z",
"spacegroup": 221
},
{
"id": "mp-980200",
"created_at": "2022-09-04T14:39:45.274466Z",
"structure_string": "Zn6 Rh2\n1.0\n2.723567 -4.717357 0.000000\n2.723567 4.717357 0.000000\n0.000000 0.000000 4.404182\nZn Rh\n6 2\ndirect\n0.168083 0.336167 0.250000 Zn\n0.663833 0.831917 0.250000 Zn\n0.168083 0.831917 0.250000 Zn\n0.831917 0.663833 0.750000 Zn\n0.336167 0.168083 0.750000 Zn\n0.831917 0.168083 0.750000 Zn\n0.333333 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 8.778304328880207,
"density_atomic": 0.07068999098513556,
"volume": 113.17019408988482,
"volume_molar": 8.519085483072582,
"formula_full": "Zn6 Rh2",
"formula_reduced": "Zn3Rh",
"formula_anonymous": "AB3",
"energy": -24.85098531,
"energy_per_atom": -3.10637316375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -24.85098531,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.416000Z",
"spacegroup": 194
},
{
"id": "mp-865342",
"created_at": "2022-09-04T14:46:35.583732Z",
"structure_string": "Zn3 Rh1\n1.0\n-1.859851 1.859851 4.077815\n1.859851 -1.859851 4.077815\n1.859851 1.859851 -4.077815\nZn Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 8.803773943483222,
"density_atomic": 0.07089509287716711,
"volume": 56.42139445293348,
"volume_molar": 8.494439481776213,
"formula_full": "Zn3 Rh1",
"formula_reduced": "Zn3Rh",
"formula_anonymous": "AB3",
"energy": -12.47254146,
"energy_per_atom": -3.118135365,
"energy_above_hull": null,
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"energy_uncorrected": -12.47254146,
"band_gap": 0.0,
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"total_magnetization": 0.0065856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.252000Z",
"spacegroup": 139
},
{
"id": "mp-1205290",
"created_at": "2022-09-04T14:46:59.423611Z",
"structure_string": "Zn216 Ru36\n1.0\n15.625550 0.000000 0.000000\n0.000000 15.625550 0.000000\n0.000000 0.000000 15.625550\nZn Ru\n216 36\ndirect\n0.113881 0.452543 0.474951 Zn\n0.386119 0.547457 0.974951 Zn\n0.886119 0.952543 0.025049 Zn\n0.613881 0.047457 0.525049 Zn\n0.452543 0.474951 0.113881 Zn\n0.547457 0.974951 0.386119 Zn\n0.952543 0.025049 0.886119 Zn\n0.047457 0.525049 0.613881 Zn\n0.474951 0.113881 0.452543 Zn\n0.974951 0.386119 0.547457 Zn\n0.025049 0.886119 0.952543 Zn\n0.525049 0.613881 0.047457 Zn\n0.636119 0.275049 0.297457 Zn\n0.363881 0.775049 0.202543 Zn\n0.863881 0.724951 0.797457 Zn\n0.136119 0.224951 0.702543 Zn\n0.297457 0.636119 0.275049 Zn\n0.202543 0.363881 0.775049 Zn\n0.797457 0.863881 0.724951 Zn\n0.702543 0.136119 0.224951 Zn\n0.275049 0.297457 0.636119 Zn\n0.775049 0.202543 0.363881 Zn\n0.724951 0.797457 0.863881 Zn\n0.224951 0.702543 0.136119 Zn\n0.148634 0.036823 0.686905 Zn\n0.351367 0.963177 0.186905 Zn\n0.851367 0.536823 0.813095 Zn\n0.648633 0.463177 0.313095 Zn\n0.036823 0.686905 0.148634 Zn\n0.963177 0.186905 0.351367 Zn\n0.536823 0.813095 0.851367 Zn\n0.463177 0.313095 0.648633 Zn\n0.686905 0.148634 0.036823 Zn\n0.186905 0.351367 0.963177 Zn\n0.813095 0.851367 0.536823 Zn\n0.313095 0.648633 0.463177 Zn\n0.601367 0.063095 0.713177 Zn\n0.398633 0.563095 0.786823 Zn\n0.898633 0.936905 0.213177 Zn\n0.101366 0.436905 0.286823 Zn\n0.713177 0.601367 0.063095 Zn\n0.786823 0.398633 0.563095 Zn\n0.213177 0.898633 0.936905 Zn\n0.286823 0.101366 0.436905 Zn\n0.063095 0.713177 0.601367 Zn\n0.563095 0.786823 0.398633 Zn\n0.936905 0.213177 0.898633 Zn\n0.436905 0.286823 0.101366 Zn\n0.210005 0.330759 0.350963 Zn\n0.289995 0.669241 0.850963 Zn\n0.789995 0.830759 0.149037 Zn\n0.710005 0.169241 0.649037 Zn\n0.330759 0.350963 0.210005 Zn\n0.669241 0.850963 0.289995 Zn\n0.830759 0.149037 0.789995 Zn\n0.169241 0.649037 0.710005 Zn\n0.350963 0.210005 0.330759 Zn\n0.850963 0.289995 0.669241 Zn\n0.149037 0.789995 0.830759 Zn\n0.649037 0.710005 0.169241 Zn\n0.539995 0.399037 0.419241 Zn\n0.460005 0.899037 0.080759 Zn\n0.960005 0.600963 0.919241 Zn\n0.039995 0.100963 0.580759 Zn\n0.419241 0.539995 0.399037 Zn\n0.080759 0.460005 0.899037 Zn\n0.919241 0.960005 0.600963 Zn\n0.580759 0.039995 0.100963 Zn\n0.399037 0.419241 0.539995 Zn\n0.899037 0.080759 0.460005 Zn\n0.600963 0.919241 0.960005 Zn\n0.100963 0.580759 0.039995 Zn\n0.287495 0.271338 0.477495 Zn\n0.212505 0.728662 0.977495 Zn\n0.712505 0.771338 0.022505 Zn\n0.787495 0.228662 0.522505 Zn\n0.271338 0.477495 0.287495 Zn\n0.728662 0.977495 0.212505 Zn\n0.771338 0.022505 0.712505 Zn\n0.228662 0.522505 0.787495 Zn\n0.477495 0.287495 0.271338 Zn\n0.977495 0.212505 0.728662 Zn\n0.022505 0.712505 0.771338 Zn\n0.522505 0.787495 0.228662 Zn\n0.462505 0.272505 0.478662 Zn\n0.537495 0.772505 0.021338 Zn\n0.037495 0.727495 0.978662 Zn\n0.962505 0.227495 0.521338 Zn\n0.478662 0.462505 0.272505 Zn\n0.021338 0.537495 0.772505 Zn\n0.978662 0.037495 0.727495 Zn\n0.521338 0.962505 0.227495 Zn\n0.272505 0.478662 0.462505 Zn\n0.772505 0.021338 0.537495 Zn\n0.727495 0.978662 0.037495 Zn\n0.227495 0.521338 0.962505 Zn\n0.289248 0.134464 0.723864 Zn\n0.210752 0.865536 0.223864 Zn\n0.710752 0.634464 0.776136 Zn\n0.789248 0.365536 0.276136 Zn\n0.134464 0.723864 0.289248 Zn\n0.865536 0.223864 0.210752 Zn\n0.634464 0.776136 0.710752 Zn\n0.365536 0.276136 0.789248 Zn\n0.723864 0.289248 0.134464 Zn\n0.223864 0.210752 0.865536 Zn\n0.776136 0.710752 0.634464 Zn\n0.276136 0.789248 0.365536 Zn\n0.460752 0.026136 0.615536 Zn\n0.539248 0.526136 0.884464 Zn\n0.039248 0.973864 0.115536 Zn\n0.960752 0.473864 0.384464 Zn\n0.615536 0.460752 0.026136 Zn\n0.884464 0.539248 0.526136 Zn\n0.115536 0.039248 0.973864 Zn\n0.384464 0.960752 0.473864 Zn\n0.026136 0.615536 0.460752 Zn\n0.526136 0.884464 0.539248 Zn\n0.973864 0.115536 0.039248 Zn\n0.473864 0.384464 0.960752 Zn\n0.147865 0.740023 0.463195 Zn\n0.352135 0.259977 0.963195 Zn\n0.852135 0.240023 0.036805 Zn\n0.647865 0.759977 0.536805 Zn\n0.740023 0.463195 0.147865 Zn\n0.259977 0.963195 0.352135 Zn\n0.240023 0.036805 0.852135 Zn\n0.759977 0.536805 0.647865 Zn\n0.463195 0.147865 0.740023 Zn\n0.963195 0.352135 0.259977 Zn\n0.036805 0.852135 0.240023 Zn\n0.536805 0.647865 0.759977 Zn\n0.602135 0.286805 0.009977 Zn\n0.397865 0.786805 0.490023 Zn\n0.897865 0.713195 0.509977 Zn\n0.102135 0.213195 0.990023 Zn\n0.009977 0.602135 0.286805 Zn\n0.490023 0.397865 0.786805 Zn\n0.509977 0.897865 0.713195 Zn\n0.990023 0.102135 0.213195 Zn\n0.286805 0.009977 0.602135 Zn\n0.786805 0.490023 0.397865 Zn\n0.713195 0.509977 0.897865 Zn\n0.213195 0.990023 0.102135 Zn\n0.134588 0.013605 0.474597 Zn\n0.365412 0.986395 0.974597 Zn\n0.865412 0.513605 0.025403 Zn\n0.634588 0.486395 0.525403 Zn\n0.013605 0.474597 0.134588 Zn\n0.986395 0.974597 0.365412 Zn\n0.513605 0.025403 0.865412 Zn\n0.486395 0.525403 0.634588 Zn\n0.474597 0.134588 0.013605 Zn\n0.974597 0.365412 0.986395 Zn\n0.025403 0.865412 0.513605 Zn\n0.525403 0.634588 0.486395 Zn\n0.615412 0.275403 0.736395 Zn\n0.384588 0.775403 0.763605 Zn\n0.884588 0.724597 0.236395 Zn\n0.115412 0.224597 0.263605 Zn\n0.736395 0.615412 0.275403 Zn\n0.763605 0.384588 0.775403 Zn\n0.236395 0.884588 0.724597 Zn\n0.263605 0.115412 0.224597 Zn\n0.275403 0.736395 0.615412 Zn\n0.775403 0.763605 0.384588 Zn\n0.724597 0.236395 0.884588 Zn\n0.224597 0.263605 0.115412 Zn\n0.819014 0.930986 0.375000 Zn\n0.680986 0.069014 0.875000 Zn\n0.180986 0.430986 0.125000 Zn\n0.319014 0.569014 0.625000 Zn\n0.930986 0.375000 0.819014 Zn\n0.069014 0.875000 0.680986 Zn\n0.430986 0.125000 0.180986 Zn\n0.569014 0.625000 0.319014 Zn\n0.375000 0.819014 0.930986 Zn\n0.875000 0.680986 0.069014 Zn\n0.125000 0.180986 0.430986 Zn\n0.625000 0.319014 0.569014 Zn\n0.701532 0.048468 0.375000 Zn\n0.798468 0.951532 0.875000 Zn\n0.298468 0.548468 0.125000 Zn\n0.201532 0.451532 0.625000 Zn\n0.048468 0.375000 0.701532 Zn\n0.951532 0.875000 0.798468 Zn\n0.548468 0.125000 0.298468 Zn\n0.451532 0.625000 0.201532 Zn\n0.375000 0.701532 0.048468 Zn\n0.875000 0.798468 0.951532 Zn\n0.125000 0.298468 0.548468 Zn\n0.625000 0.201532 0.451532 Zn\n0.974561 0.775439 0.375000 Zn\n0.525439 0.224561 0.875000 Zn\n0.025439 0.275439 0.125000 Zn\n0.474561 0.724561 0.625000 Zn\n0.775439 0.375000 0.974561 Zn\n0.224561 0.875000 0.525439 Zn\n0.275439 0.125000 0.025439 Zn\n0.724561 0.625000 0.474561 Zn\n0.375000 0.974561 0.775439 Zn\n0.875000 0.525439 0.224561 Zn\n0.125000 0.025439 0.275439 Zn\n0.625000 0.474561 0.724561 Zn\n0.167360 0.582640 0.375000 Zn\n0.332640 0.417360 0.875000 Zn\n0.832640 0.082640 0.125000 Zn\n0.667360 0.917360 0.625000 Zn\n0.582640 0.375000 0.167360 Zn\n0.417360 0.875000 0.332640 Zn\n0.082640 0.125000 0.832640 Zn\n0.917360 0.625000 0.667360 Zn\n0.375000 0.167360 0.582640 Zn\n0.875000 0.332640 0.417360 Zn\n0.125000 0.832640 0.082640 Zn\n0.625000 0.667360 0.917360 Zn\n0.209579 0.150331 0.575548 Ru\n0.290421 0.849669 0.075548 Ru\n0.790421 0.650331 0.924452 Ru\n0.709579 0.349669 0.424452 Ru\n0.150331 0.575548 0.209579 Ru\n0.849669 0.075548 0.290421 Ru\n0.650331 0.924452 0.790421 Ru\n0.349669 0.424452 0.709579 Ru\n0.575548 0.209579 0.150331 Ru\n0.075548 0.290421 0.849669 Ru\n0.924452 0.790421 0.650331 Ru\n0.424452 0.709579 0.349669 Ru\n0.540421 0.174452 0.599669 Ru\n0.459579 0.674452 0.900331 Ru\n0.959579 0.825548 0.099669 Ru\n0.040421 0.325548 0.400331 Ru\n0.599669 0.540421 0.174452 Ru\n0.900331 0.459579 0.674452 Ru\n0.099669 0.959579 0.825548 Ru\n0.400331 0.040421 0.325548 Ru\n0.174452 0.599669 0.540421 Ru\n0.674452 0.900331 0.459579 Ru\n0.825548 0.099669 0.959579 Ru\n0.325548 0.400331 0.040421 Ru\n0.126769 0.873231 0.373231 Ru\n0.373231 0.126769 0.873231 Ru\n0.873231 0.373231 0.126769 Ru\n0.626769 0.626769 0.626769 Ru\n0.623231 0.376769 0.876769 Ru\n0.376769 0.876769 0.623231 Ru\n0.876769 0.623231 0.376769 Ru\n0.123231 0.123231 0.123231 Ru\n0.875000 0.125000 0.625000 Ru\n0.625000 0.875000 0.125000 Ru\n0.125000 0.625000 0.875000 Ru\n0.375000 0.375000 0.375000 Ru\n",
"nsites": 252,
"nelements": 2,
"elements": [
"Zn",
"Ru"
],
"chemical_system": "Ru-Zn",
"density": 7.733105527542855,
"density_atomic": 0.06605331252466642,
"volume": 3815.100111836104,
"volume_molar": 9.117091224987604,
"formula_full": "Zn216 Ru36",
"formula_reduced": "Zn6Ru",
"formula_anonymous": "AB6",
"energy": -642.24384941,
"energy_per_atom": -2.5485867040079366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -642.24384941,
"band_gap": 0.0111000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0319146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.523000Z",
"spacegroup": 213
},
{
"id": "mp-1380",
"created_at": "2022-09-04T14:39:35.003499Z",
"structure_string": "Zn6 Ru2\n1.0\n-1.897034 1.897034 7.796809\n1.897034 -1.897034 7.796809\n1.897034 1.897034 -7.796809\nZn Ru\n6 2\ndirect\n0.628974 0.628974 0.000000 Zn\n0.371026 0.371026 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.882941 0.882941 0.000000 Ru\n0.117059 0.117059 0.000000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Ru"
],
"chemical_system": "Ru-Zn",
"density": 8.797160263355957,
"density_atomic": 0.07127920888877616,
"volume": 112.2346912194715,
"volume_molar": 8.448663858484917,
"formula_full": "Zn6 Ru2",
"formula_reduced": "Zn3Ru",
"formula_anonymous": "AB3",
"energy": -27.3194254,
"energy_per_atom": -3.414928175,
"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0224694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.638000Z",
"spacegroup": 139
},
{
"id": "mp-556161",
"created_at": "2022-09-04T14:39:35.086967Z",
"structure_string": "Zn14 S14\n1.0\n1.926090 -3.336086 0.000000\n1.926090 3.336086 0.000000\n0.000000 0.000000 44.085130\nZn S\n14 14\ndirect\n0.000000 0.000000 0.142863 Zn\n0.333333 0.666667 0.642856 Zn\n0.333333 0.666667 0.214286 Zn\n0.666667 0.333333 0.071449 Zn\n0.000000 0.000000 0.857145 Zn\n0.000000 0.000000 0.571449 Zn\n0.333333 0.666667 0.785734 Zn\n0.333333 0.666667 0.357161 Zn\n0.333333 0.666667 0.999998 Zn\n0.000000 0.000000 0.428567 Zn\n0.666667 0.333333 0.928567 Zn\n0.666667 0.333333 0.285713 Zn\n0.666667 0.333333 0.499999 Zn\n0.666667 0.333333 0.714288 Zn\n0.000000 0.000000 0.196424 S\n0.666667 0.333333 0.339326 S\n0.000000 0.000000 0.910705 S\n0.333333 0.666667 0.839278 S\n0.333333 0.666667 0.410704 S\n0.666667 0.333333 0.553611 S\n0.333333 0.666667 0.267811 S\n0.666667 0.333333 0.767899 S\n0.666667 0.333333 0.982094 S\n0.333333 0.666667 0.696383 S\n0.333333 0.666667 0.053611 S\n0.000000 0.000000 0.482093 S\n0.000000 0.000000 0.624993 S\n0.666667 0.333333 0.124994 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.999723649939485,
"density_atomic": 0.04942220249371209,
"volume": 566.5469887458455,
"volume_molar": 12.185091833505776,
"formula_full": "Zn14 S14",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -105.3076518,
"energy_per_atom": -3.7609875642857142,
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"energy_uncorrected": -98.2656518,
"band_gap": 1.4712,
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"total_magnetization": 0.0744321,
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"updated_at": "2021-11-28T01:34:35.371000Z",
"spacegroup": 156
},
{
"id": "mp-10695",
"created_at": "2022-09-04T14:39:32.945575Z",
"structure_string": "Zn1 S1\n1.0\n0.000000 2.725135 2.725135\n2.725135 0.000000 2.725135\n2.725135 2.725135 0.000000\nZn S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.9989302156636066,
"density_atomic": 0.049412398499016484,
"volume": 40.475671304233664,
"volume_molar": 12.187509497479397,
"formula_full": "Zn1 S1",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -7.52193244,
"energy_per_atom": -3.76096622,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -7.01893244,
"band_gap": 2.0192,
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"is_magnetic": false,
"total_magnetization": 0.0001603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.699000Z",
"spacegroup": 216
}
]
}