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{
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"results": [
{
"id": "mp-1096269",
"created_at": "2022-09-04T14:46:21.542562Z",
"structure_string": "Li1 Y1 Zn2\n1.0\n-5.587028 5.922853 8.361257\n5.587028 -5.922853 8.361257\n5.587028 5.922853 -8.361257\nLi Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.237274 0.237274 Zn\n0.000000 0.762726 0.762726 Zn\n",
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"volume": 1106.7342895013908,
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"formula_full": "Li1 Y1 Zn2",
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{
"id": "mp-1186050",
"created_at": "2022-09-04T14:46:51.889045Z",
"structure_string": "Na3 Hg1\n1.0\n-2.410195 2.410195 5.049740\n2.410195 -2.410195 5.049740\n2.410195 2.410195 -5.049740\nNa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"formula_full": "Na3 Hg1",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.589000Z",
"spacegroup": 139
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
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"elements": [
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"chemical_system": "La",
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"volume": 37.67272065456727,
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"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.80249767,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
},
{
"id": "mp-30373",
"created_at": "2022-09-04T14:48:01.960890Z",
"structure_string": "Rb1 Au1\n1.0\n4.202031 0.000000 0.000000\n0.000000 4.202031 0.000000\n0.000000 0.000000 4.202031\nRb Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Au"
],
"chemical_system": "Au-Rb",
"density": 6.321045050209391,
"density_atomic": 0.02695580087550683,
"volume": 74.19553250288638,
"volume_molar": 22.340797024776844,
"formula_full": "Rb1 Au1",
"formula_reduced": "RbAu",
"formula_anonymous": "AB",
"energy": -4.80202715,
"energy_per_atom": -2.401013575,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.80202715,
"band_gap": 0.3698999999999999,
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"total_magnetization": 0.0006696,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.085000Z",
"spacegroup": 221
},
{
"id": "mp-1094617",
"created_at": "2022-09-04T14:44:05.941336Z",
"structure_string": "Mg1 Ga1\n1.0\n4.813083 -1.554695 0.000000\n4.813083 1.554695 0.000000\n4.310894 0.000000 2.645569\nMg Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.943561831849944,
"density_atomic": 0.050514069118498435,
"volume": 39.59292994805664,
"volume_molar": 11.921709862400828,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -4.80136132,
"energy_per_atom": -2.40068066,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.80136132,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.834000Z",
"spacegroup": 166
},
{
"id": "mp-631525",
"created_at": "2022-09-04T14:43:21.677977Z",
"structure_string": "K1 Hg2 B1\n1.0\n0.000000 3.647893 3.647893\n3.647893 0.000000 3.647893\n3.647893 3.647893 0.000000\nK Hg B\n1 2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.500000 0.500000 0.500000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Hg",
"B"
],
"chemical_system": "B-Hg-K",
"density": 7.715345058044194,
"density_atomic": 0.041200617232613666,
"volume": 97.08592416022525,
"volume_molar": 14.616627527689031,
"formula_full": "K1 Hg2 B1",
"formula_reduced": "KHg2B",
"formula_anonymous": "ABC2",
"energy": -4.80088571,
"energy_per_atom": -1.2002214275,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.80088571,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0161302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.049000Z",
"spacegroup": 216
},
{
"id": "mp-865742",
"created_at": "2022-09-04T14:48:15.057456Z",
"structure_string": "Yb1 Cd1 Hg2\n1.0\n0.000000 3.634548 3.634548\n3.634548 0.000000 3.634548\n3.634548 3.634548 0.000000\nYb Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Yb",
"density": 11.873842460457242,
"density_atomic": 0.04165611554599147,
"volume": 96.02431593948555,
"volume_molar": 14.45679867425734,
"formula_full": "Yb1 Cd1 Hg2",
"formula_reduced": "YbCdHg2",
"formula_anonymous": "ABC2",
"energy": -4.79927858,
"energy_per_atom": -1.199819645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79927858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.383000Z",
"spacegroup": 225
},
{
"id": "mp-1093764",
"created_at": "2022-09-04T14:42:40.914573Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-6.725295 6.829242 9.634198\n6.725295 -6.829242 9.634198\n6.725295 6.829242 -9.634198\nBa Zn Sn\n2 1 1\ndirect\n0.000000 0.264156 0.264156 Ba\n0.000000 0.735844 0.735844 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Sn"
],
"chemical_system": "Ba-Sn-Zn",
"density": 0.4304151480104372,
"density_atomic": 0.002259959158408044,
"volume": 1769.9434899600897,
"volume_molar": 266.4712208446326,
"formula_full": "Ba2 Zn1 Sn1",
"formula_reduced": "Ba2ZnSn",
"formula_anonymous": "ABC2",
"energy": -4.79858491,
"energy_per_atom": -1.1996462275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -4.79858491,
"band_gap": 0.0871999999999999,
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"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 71
},
{
"id": "mp-1095846",
"created_at": "2022-09-04T14:48:26.481888Z",
"structure_string": "Ba2 Na1 Pb1\n1.0\n-7.024843 7.095905 10.181357\n7.024843 -7.095905 10.181357\n7.024843 7.095905 -10.181357\nBa Na Pb\n2 1 1\ndirect\n0.000000 0.270269 0.270269 Ba\n0.000000 0.729731 0.729731 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 0.41294862640053787,
"density_atomic": 0.0019703796754697175,
"volume": 2030.0656009590857,
"volume_molar": 305.63352002524016,
"formula_full": "Ba2 Na1 Pb1",
"formula_reduced": "Ba2NaPb",
"formula_anonymous": "ABC2",
"energy": -4.79450991,
"energy_per_atom": -1.1986274775,
"energy_above_hull": null,
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"energy_uncorrected": -4.79450991,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:41.141000Z",
"spacegroup": 71
},
{
"id": "mp-999501",
"created_at": "2022-09-04T14:42:24.205166Z",
"structure_string": "Na4\n1.0\n2.306607 -3.995160 0.000000\n2.306607 3.995160 0.000000\n0.000000 0.000000 8.660129\nNa\n4\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
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"chemical_system": "Na",
"density": 0.9567127508790888,
"density_atomic": 0.025060968574764763,
"volume": 159.6107504012361,
"volume_molar": 24.029960143136755,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -4.79422453,
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"energy_above_hull": null,
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"energy_uncorrected": -4.79422453,
"band_gap": 0.0,
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"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.965000Z",
"spacegroup": 194
},
{
"id": "mp-1096318",
"created_at": "2022-09-04T14:46:11.939259Z",
"structure_string": "Li1 Sc1 Zn2\n1.0\n-5.468998 5.654104 8.137668\n5.468998 -5.654104 8.137668\n5.468998 5.654104 -8.137668\nLi Sc Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.242259 0.242259 Zn\n0.000000 0.757741 0.757741 Zn\n",
"nsites": 4,
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"elements": [
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"Sc",
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"density": 0.3014335404898126,
"density_atomic": 0.003974005605502261,
"volume": 1006.54110665112,
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"formula_full": "Li1 Sc1 Zn2",
"formula_reduced": "LiScZn2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -4.79371333,
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"updated_at": "2021-11-28T01:37:23.815000Z",
"spacegroup": 71
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{
"id": "mp-9827",
"created_at": "2022-09-04T14:41:09.209277Z",
"structure_string": "Rb2 Hg4\n1.0\n-2.703651 4.324049 4.879641\n2.703651 -4.324049 4.879641\n2.703651 4.324049 -4.879641\nRb Hg\n2 4\ndirect\n0.302384 0.052384 0.250000 Rb\n0.697616 0.947616 0.750000 Rb\n0.103193 0.664671 0.438522 Hg\n0.896807 0.335329 0.561478 Hg\n0.273852 0.335329 0.938522 Hg\n0.726148 0.664671 0.061478 Hg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Hg-Rb",
"density": 7.082796396387336,
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"volume": 228.18605487152593,
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"formula_full": "Rb2 Hg4",
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"energy": -4.79314856,
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"total_magnetization": 3.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.943000Z",
"spacegroup": 74
}
]
}