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{
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"results": [
{
"id": "mp-20086",
"created_at": "2022-09-04T14:40:05.038900Z",
"structure_string": "Mn2 Sn4\n1.0\n-3.311199 3.311199 2.711264\n3.311199 -3.311199 2.711264\n3.311199 3.311199 -2.711264\nMn Sn\n2 4\ndirect\n0.750000 0.750000 0.000000 Mn\n0.250000 0.250000 0.000000 Mn\n0.663738 0.163738 0.827476 Sn\n0.336262 0.836262 0.172524 Sn\n0.836262 0.663738 0.500000 Sn\n0.163738 0.336262 0.500000 Sn\n",
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{
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"updated_at": "2021-11-28T01:34:46.387000Z",
"spacegroup": 12
},
{
"id": "mp-1215173",
"created_at": "2022-09-04T14:40:09.805118Z",
"structure_string": "Zr1 U1 O4\n1.0\n6.171122 -1.876900 0.000000\n6.171122 1.876900 0.000000\n5.600277 0.000000 3.200375\nZr U O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n0.621591 0.621591 0.621591 O\n0.128702 0.128702 0.128702 O\n0.871298 0.871298 0.871298 O\n0.378409 0.378409 0.378409 O\n",
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"O"
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"density": 8.808100484485287,
"density_atomic": 0.0809310395515449,
"volume": 74.13719177768137,
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"formula_full": "Zr1 U1 O4",
"formula_reduced": "ZrUO4",
"formula_anonymous": "ABC4",
"energy": -61.79536377,
"energy_per_atom": -10.299227295,
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"updated_at": "2021-11-28T01:34:47.116000Z",
"spacegroup": 166
},
{
"id": "mp-977381",
"created_at": "2022-09-04T14:40:02.150449Z",
"structure_string": "Gd1 Mg1 Ni4\n1.0\n0.000000 3.505206 3.505206\n3.505206 0.000000 3.505206\n3.505206 3.505206 0.000000\nGd Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Mg\n0.623795 0.623795 0.128615 Ni\n0.623795 0.128615 0.623795 Ni\n0.128615 0.623795 0.623795 Ni\n0.623795 0.623795 0.623795 Ni\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Gd-Mg-Ni",
"density": 8.026287437385887,
"density_atomic": 0.06965954211869356,
"volume": 86.13321043334656,
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"formula_full": "Gd1 Mg1 Ni4",
"formula_reduced": "GdMgNi4",
"formula_anonymous": "ABC4",
"energy": -41.07168955,
"energy_per_atom": -6.845281591666667,
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"updated_at": "2021-11-28T01:34:45.807000Z",
"spacegroup": 216
},
{
"id": "mp-1183839",
"created_at": "2022-09-04T14:39:59.760301Z",
"structure_string": "Dy1 Mg5\n1.0\n3.673993 0.000000 0.000000\n-1.836997 2.698930 5.270187\n0.000000 -5.061335 5.069886\nDy Mg\n1 5\ndirect\n0.361533 0.723066 0.777079 Dy\n0.036389 0.072778 0.949856 Mg\n0.688921 0.377843 0.121244 Mg\n0.360588 0.721176 0.278433 Mg\n0.034321 0.068642 0.432245 Mg\n0.684914 0.369829 0.607808 Mg\n",
"nsites": 6,
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"elements": [
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"Mg"
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"density": 3.1808532350294056,
"density_atomic": 0.040465901082372725,
"volume": 148.27298637898485,
"volume_molar": 14.882013247996824,
"formula_full": "Dy1 Mg5",
"formula_reduced": "DyMg5",
"formula_anonymous": "AB5",
"energy": -12.648341849999998,
"energy_per_atom": -2.1080569749999998,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:46.292000Z",
"spacegroup": 12
},
{
"id": "mp-1223859",
"created_at": "2022-09-04T14:39:33.834454Z",
"structure_string": "In2 Ga1 As3\n1.0\n-2.140184 2.140184 9.060064\n2.140184 -2.140184 9.060064\n2.140184 2.140184 -9.060064\nIn Ga As\n2 1 3\ndirect\n0.336756 0.336756 0.000000 In\n0.663244 0.663244 0.000000 In\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750000 0.500000 As\n0.575475 0.075475 0.500000 As\n0.924525 0.424525 0.500000 As\n",
"nsites": 6,
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"elements": [
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"Ga",
"As"
],
"chemical_system": "As-Ga-In",
"density": 5.24311635644339,
"density_atomic": 0.0361457938721409,
"volume": 165.99441753095525,
"volume_molar": 16.6606957957604,
"formula_full": "In2 Ga1 As3",
"formula_reduced": "In2GaAs3",
"formula_anonymous": "AB2C3",
"energy": -23.9874058,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.930000Z",
"spacegroup": 119
},
{
"id": "mp-1215169",
"created_at": "2022-09-04T14:39:22.066615Z",
"structure_string": "Zr2 V2 W2\n1.0\n-2.655781 2.660800 3.750165\n2.655781 -2.660800 3.750165\n2.655781 2.660800 -3.750165\nZr V W\n2 2 2\ndirect\n0.124856 0.874856 0.250000 Zr\n0.875144 0.125144 0.750000 Zr\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 6,
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"elements": [
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"V",
"W"
],
"chemical_system": "V-W-Zr",
"density": 10.21384260660108,
"density_atomic": 0.05660260139662669,
"volume": 106.00219516337597,
"volume_molar": 10.639335669047354,
"formula_full": "Zr2 V2 W2",
"formula_reduced": "ZrVW",
"formula_anonymous": "ABC",
"energy": -61.68808789,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:24.843000Z",
"spacegroup": 74
},
{
"id": "mp-1094178",
"created_at": "2022-09-04T14:39:27.649749Z",
"structure_string": "La5 Mg1\n1.0\n1.897778 6.524662 0.000000\n-1.897778 6.524662 0.000000\n0.000000 2.668893 8.474449\nLa Mg\n5 1\ndirect\n0.005295 0.005295 0.036866 La\n0.314391 0.314391 0.332677 La\n0.951263 0.951263 0.573651 La\n0.662829 0.662829 0.683997 La\n0.285270 0.285270 0.934299 La\n0.614285 0.614285 0.271844 Mg\n",
"nsites": 6,
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"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 5.687636317174658,
"density_atomic": 0.02858948669092352,
"volume": 209.86735665683906,
"volume_molar": 21.064179378610135,
"formula_full": "La5 Mg1",
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"updated_at": "2021-11-28T01:34:38.557000Z",
"spacegroup": 8
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{
"id": "mp-1039340",
"created_at": "2022-09-04T14:39:22.104579Z",
"structure_string": "Ca4 Mg2\n1.0\n3.155806 -5.494422 0.000000\n3.155806 5.494422 0.000000\n0.000000 0.000000 5.945419\nCa Mg\n4 2\ndirect\n0.159901 0.479066 0.750000 Ca\n0.479066 0.159901 0.750000 Ca\n0.520934 0.840099 0.250000 Ca\n0.840099 0.520934 0.250000 Ca\n0.834465 0.834465 0.750000 Mg\n0.165535 0.165535 0.250000 Mg\n",
"nsites": 6,
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"elements": [
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"density": 1.68262950417114,
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"volume": 206.17916303749755,
"volume_molar": 20.69399902651333,
"formula_full": "Ca4 Mg2",
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"updated_at": "2021-11-28T01:34:44.409000Z",
"spacegroup": 63
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{
"id": "mp-1219013",
"created_at": "2022-09-04T14:39:34.138930Z",
"structure_string": "Sm1 Mn2 Ni3\n1.0\n2.526967 -4.376835 0.000000\n2.526967 4.376835 0.000000\n0.000000 0.000000 3.996422\nSm Mn Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.000000 Mn\n0.333333 0.666667 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
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"density": 8.195763984331197,
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"volume": 88.40179467394681,
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"formula_full": "Sm1 Mn2 Ni3",
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"energy": -41.3991746,
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{
"id": "mp-1187158",
"created_at": "2022-09-04T14:39:25.090922Z",
"structure_string": "Sr2 Br4\n1.0\n7.166314 0.000000 0.000000\n0.000000 7.166314 0.000000\n0.000000 0.000000 4.715678\nSr Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.303883 0.303883 0.000000 Br\n0.696117 0.696117 0.000000 Br\n0.196117 0.803883 0.500000 Br\n0.803883 0.196117 0.500000 Br\n",
"nsites": 6,
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"volume": 242.1786250804031,
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"formula_full": "Sr2 Br4",
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"energy": -24.86518802,
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"band_gap": 4.386,
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"updated_at": "2021-11-28T01:34:31.812000Z",
"spacegroup": 136
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{
"id": "mp-1225832",
"created_at": "2022-09-04T14:39:29.874386Z",
"structure_string": "Cu2 Sn1 S3\n1.0\n-1.946844 2.721791 5.786016\n1.946844 -2.721791 5.786016\n1.946844 2.721791 -5.786016\nCu Sn S\n2 1 3\ndirect\n0.162817 0.169684 0.993133 Cu\n0.823449 0.830316 0.993133 Cu\n0.519271 0.500000 0.019271 Sn\n0.939962 0.676751 0.263211 S\n0.586459 0.323249 0.263211 S\n0.218038 0.000000 0.218038 S\n",
"nsites": 6,
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"S"
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"density": 4.63069146425927,
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"volume": 122.63813807142554,
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"formula_full": "Cu2 Sn1 S3",
"formula_reduced": "Cu2SnS3",
"formula_anonymous": "AB2C3",
"energy": -28.080267900000003,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:26.767000Z",
"spacegroup": 44
}
]
}