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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12182",
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"results": [
{
"id": "mp-554674",
"created_at": "2022-09-04T14:45:39.404518Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n-6.483697 0.000000 0.000000\n3.241864 5.616184 0.000000\n-0.005038 -0.033817 -10.525106\nZn Ga N O\n4 12 12 4\ndirect\n0.160801 0.178368 0.737812 Zn\n0.328347 0.343984 0.992822 Zn\n0.334166 0.833084 0.494543 Zn\n0.666487 0.166794 0.736579 Zn\n0.162357 0.660813 0.746701 Ga\n0.677524 0.659385 0.745132 Ga\n0.839825 0.825186 0.000543 Ga\n0.335481 0.824106 0.000769 Ga\n0.834211 0.829498 0.500290 Ga\n0.161446 0.161801 0.256849 Ga\n0.330413 0.336117 0.501705 Ga\n0.667217 0.667111 0.255155 Ga\n0.677073 0.160903 0.255045 Ga\n0.160688 0.677350 0.256514 Ga\n0.829547 0.340039 0.001784 Ga\n0.832939 0.337266 0.502038 Ga\n0.330822 0.342603 0.686492 N\n0.826997 0.341569 0.686313 N\n0.160462 0.678928 0.935461 N\n0.162332 0.662623 0.436523 N\n0.674719 0.662875 0.436651 N\n0.162261 0.175824 0.437316 N\n0.832753 0.334016 0.186464 N\n0.666731 0.166318 0.437574 N\n0.836680 0.826000 0.686800 N\n0.666140 0.667902 0.937244 N\n0.334369 0.832744 0.187200 N\n0.832695 0.833085 0.186365 N\n0.335042 0.331650 0.193560 O\n0.679197 0.160210 0.950239 O\n0.160673 0.159570 0.948888 O\n0.339606 0.822279 0.698610 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.764180236643674,
"density_atomic": 0.08349480621610032,
"volume": 383.2573719277575,
"volume_molar": 7.2125932533019625,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"energy": -18.46684293,
"energy_per_atom": -0.5770888415625,
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"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.378000Z",
"spacegroup": 1
},
{
"id": "mp-1096761",
"created_at": "2022-09-04T14:47:01.360339Z",
"structure_string": "K1 Rb2 Na1\n1.0\n-7.847777 8.597362 11.123070\n7.847777 -8.597362 11.123070\n7.847777 8.597362 -11.123070\nK Rb Na\n1 2 1\ndirect\n0.500000 0.000000 0.500000 K\n0.228982 0.000000 0.228982 Rb\n0.771018 0.000000 0.771018 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Na"
],
"chemical_system": "K-Na-Rb",
"density": 0.1288999073123344,
"density_atomic": 0.001332488478020395,
"volume": 3001.902129722413,
"volume_molar": 451.9469293233038,
"formula_full": "K1 Rb2 Na1",
"formula_reduced": "KRb2Na",
"formula_anonymous": "ABC2",
"energy": -2.3038454,
"energy_per_atom": -0.57596135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.3038454,
"band_gap": 0.0781,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.010000Z",
"spacegroup": 71
},
{
"id": "mp-1193208",
"created_at": "2022-09-04T14:40:21.235028Z",
"structure_string": "K4 Hg24\n1.0\n5.719973 0.000000 0.000000\n0.000000 10.951154 0.000000\n0.000000 0.000000 14.062645\nK Hg\n4 24\ndirect\n0.250000 0.129365 0.818325 K\n0.250000 0.370635 0.318325 K\n0.750000 0.870635 0.181675 K\n0.750000 0.629365 0.681675 K\n0.250000 0.145080 0.544172 Hg\n0.250000 0.354920 0.044172 Hg\n0.750000 0.854920 0.455828 Hg\n0.750000 0.645080 0.955828 Hg\n0.250000 0.869969 0.597466 Hg\n0.250000 0.630031 0.097466 Hg\n0.750000 0.130031 0.402534 Hg\n0.750000 0.369969 0.902534 Hg\n0.250000 0.402548 0.635739 Hg\n0.250000 0.097452 0.135739 Hg\n0.750000 0.597452 0.364261 Hg\n0.750000 0.902548 0.864261 Hg\n0.250000 0.775876 0.805403 Hg\n0.250000 0.724124 0.305403 Hg\n0.750000 0.224124 0.194597 Hg\n0.750000 0.275876 0.694597 Hg\n0.250000 0.502221 0.848301 Hg\n0.250000 0.997779 0.348301 Hg\n0.750000 0.497779 0.151699 Hg\n0.750000 0.002221 0.651699 Hg\n0.250000 0.876772 0.007177 Hg\n0.250000 0.623228 0.507177 Hg\n0.750000 0.123228 0.992823 Hg\n0.750000 0.376772 0.492823 Hg\n",
"nsites": 28,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 9.36985662229539,
"density_atomic": 0.03178609322599068,
"volume": 880.8883747029696,
"volume_molar": 18.945834951103237,
"formula_full": "K4 Hg24",
"formula_reduced": "KHg6",
"formula_anonymous": "AB6",
"energy": -16.0126232,
"energy_per_atom": -0.5718794,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -16.0126232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00421,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.339000Z",
"spacegroup": 62
},
{
"id": "mp-1096317",
"created_at": "2022-09-04T14:44:19.771428Z",
"structure_string": "Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Mg",
"density": 0.5446975137580196,
"density_atomic": 0.004114153072191612,
"volume": 972.2535670918044,
"volume_molar": 146.37619588597371,
"formula_full": "Mg2 Ga1 Hg1",
"formula_reduced": "Mg2GaHg",
"formula_anonymous": "ABC2",
"energy": -2.26507654,
"energy_per_atom": -0.566269135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.26507654,
"band_gap": 0.0684999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.0007182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.899000Z",
"spacegroup": 71
},
{
"id": "mp-1095951",
"created_at": "2022-09-04T14:44:25.202673Z",
"structure_string": "Ba1 In1 Hg2\n1.0\n-6.260210 6.853610 9.740363\n6.260210 -6.853610 9.740363\n6.260210 6.853610 -9.740363\nBa In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.230336 0.230336 Hg\n0.000000 0.769664 0.769664 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 0.6489854369384127,
"density_atomic": 0.0023928560234393868,
"volume": 1671.642573066546,
"volume_molar": 251.6716718853831,
"formula_full": "Ba1 In1 Hg2",
"formula_reduced": "BaInHg2",
"formula_anonymous": "ABC2",
"energy": -2.23820013,
"energy_per_atom": -0.5595500325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.23820013,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0602299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.621000Z",
"spacegroup": 71
},
{
"id": "mp-1097519",
"created_at": "2022-09-04T14:41:58.677761Z",
"structure_string": "Na1 Sr2 Li1\n1.0\n-7.203664 7.390764 10.213560\n7.203664 -7.390764 10.213560\n7.203664 7.390764 -10.213560\nNa Sr Li\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.755947 0.000000 0.755947 Sr\n0.244053 0.000000 0.244053 Sr\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Li"
],
"chemical_system": "Li-Na-Sr",
"density": 0.15663350485159547,
"density_atomic": 0.0018389929863491018,
"volume": 2175.103455908813,
"volume_molar": 327.46947947613313,
"formula_full": "Na1 Sr2 Li1",
"formula_reduced": "NaSr2Li",
"formula_anonymous": "ABC2",
"energy": -2.23381791,
"energy_per_atom": -0.5584544775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.23381791,
"band_gap": 0.1171000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.433000Z",
"spacegroup": 71
},
{
"id": "mp-1096633",
"created_at": "2022-09-04T14:42:17.314316Z",
"structure_string": "K2 Na1 Hg1\n1.0\n-6.936203 7.334759 9.804301\n6.936203 -7.334759 9.804301\n6.936203 7.334759 -9.804301\nK Na Hg\n2 1 1\ndirect\n0.251699 0.000000 0.251699 K\n0.748301 0.000000 0.748301 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Hg"
],
"chemical_system": "Hg-K-Na",
"density": 0.25115975780826716,
"density_atomic": 0.002004821542389508,
"volume": 1995.1900532914656,
"volume_molar": 300.3828835968277,
"formula_full": "K2 Na1 Hg1",
"formula_reduced": "K2NaHg",
"formula_anonymous": "ABC2",
"energy": -2.21979183,
"energy_per_atom": -0.5549479575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.21979183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0666698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.228000Z",
"spacegroup": 71
},
{
"id": "mp-1096333",
"created_at": "2022-09-04T14:39:21.002481Z",
"structure_string": "Ba1 Na2 Ca1\n1.0\n-7.450149 7.615814 10.547823\n7.450149 -7.615814 10.547823\n7.450149 7.615814 -10.547823\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.238419 0.000000 0.238419 Na\n0.761581 0.000000 0.761581 Na\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Ca"
],
"chemical_system": "Ba-Ca-Na",
"density": 0.15495232453646685,
"density_atomic": 0.0016709208538524553,
"volume": 2393.8895674068867,
"volume_molar": 360.4084984704945,
"formula_full": "Ba1 Na2 Ca1",
"formula_reduced": "BaNa2Ca",
"formula_anonymous": "ABC2",
"energy": -2.21832667,
"energy_per_atom": -0.5545816675,
"energy_above_hull": null,
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"decomposes_to": null,
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"is_gap_direct": false,
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"total_magnetization": 9.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.421000Z",
"spacegroup": 71
},
{
"id": "mp-1093601",
"created_at": "2022-09-04T14:43:57.068834Z",
"structure_string": "Li1 Ca2 Zn1\n1.0\n-6.213066 6.668243 8.793188\n6.213066 -6.668243 8.793188\n6.213066 6.668243 -8.793188\nLi Ca Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744963 0.000000 0.744963 Ca\n0.255037 0.000000 0.255037 Ca\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ca",
"Zn"
],
"chemical_system": "Ca-Li-Zn",
"density": 0.17378500196334226,
"density_atomic": 0.0027449614943983614,
"volume": 1457.2153409666378,
"volume_molar": 219.38889752331218,
"formula_full": "Li1 Ca2 Zn1",
"formula_reduced": "LiCa2Zn",
"formula_anonymous": "ABC2",
"energy": -2.20816651,
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"energy_above_hull": null,
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"energy_uncorrected": -2.20816651,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.144000Z",
"spacegroup": 71
},
{
"id": "mp-981382",
"created_at": "2022-09-04T14:47:04.829634Z",
"structure_string": "Mg1 Hg5\n1.0\n5.810830 -2.804494 0.000000\n5.810830 2.804494 0.000000\n4.457290 0.000000 4.665136\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.157750 0.842250 0.500000 Hg\n0.500000 0.157750 0.842250 Hg\n0.842250 0.500000 0.157750 Hg\n0.661910 0.661910 0.661910 Hg\n0.338090 0.338090 0.338090 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.21864411730014,
"density_atomic": 0.0394606523408938,
"volume": 152.05019795838726,
"volume_molar": 15.261128244854543,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.2955269000000005,
"energy_per_atom": -0.5492544833333334,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -3.2955269000000005,
"band_gap": 0.0,
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"total_magnetization": 0.0001459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.768000Z",
"spacegroup": 155
},
{
"id": "mp-972892",
"created_at": "2022-09-04T14:48:18.444757Z",
"structure_string": "Mg1 Hg5\n1.0\n1.790345 -8.479789 0.000000\n1.790345 8.479789 0.000000\n0.000000 0.000000 5.076391\nMg Hg\n1 5\ndirect\n0.779523 0.220477 0.500000 Mg\n0.325575 0.674425 0.000000 Hg\n0.666238 0.333762 0.000000 Hg\n0.001216 0.998784 0.000000 Hg\n0.439790 0.560210 0.500000 Hg\n0.120989 0.879011 0.500000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.066760885315237,
"density_atomic": 0.038926415640709575,
"volume": 154.13697617011388,
"volume_molar": 15.470576113619858,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.27679059,
"energy_per_atom": -0.546131765,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -3.27679059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.836000Z",
"spacegroup": 38
},
{
"id": "mp-1185887",
"created_at": "2022-09-04T14:46:13.005342Z",
"structure_string": "Mg1 Hg5\n1.0\n3.037677 -5.261411 0.000000\n3.037677 5.261411 0.000000\n0.000000 0.000000 4.856729\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.689762 0.500000 Hg\n0.689762 0.000000 0.500000 Hg\n0.310238 0.310238 0.500000 Hg\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Hg-Mg",
"density": 10.987772864360347,
"density_atomic": 0.0386485818132518,
"volume": 155.24502371113456,
"volume_molar": 15.581789751299832,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.27526193,
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"energy_uncorrected": -3.27526193,
"band_gap": 0.0,
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"total_magnetization": 0.0031264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.422000Z",
"spacegroup": 189
}
]
}