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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10219",
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"results": [
{
"id": "mp-978853",
"created_at": "2022-09-04T14:44:20.796650Z",
"structure_string": "Sr1 Ge2 Ir2\n1.0\n-2.117349 2.117349 5.417803\n2.117349 -2.117349 5.417803\n2.117349 2.117349 -5.417803\nSr Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.370150 0.370150 0.000000 Ge\n0.629850 0.629850 0.000000 Ge\n0.250000 0.750000 0.500000 Ir\n0.750000 0.250000 0.500000 Ir\n",
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],
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{
"id": "mp-1028084",
"created_at": "2022-09-04T14:45:30.276171Z",
"structure_string": "Mg14 Mn1 Cd1\n1.0\n6.301556 0.001162 0.000000\n-3.149771 5.455564 0.000000\n0.000000 0.000000 10.200213\nMg Mn Cd\n14 1 1\ndirect\n0.167129 0.333564 0.625000 Mg\n0.167556 0.833778 0.625000 Mg\n0.668483 0.332348 0.125000 Mg\n0.666241 0.332813 0.625000 Mg\n0.668483 0.836134 0.125000 Mg\n0.666241 0.833427 0.625000 Mg\n0.330146 0.168857 0.368239 Mg\n0.330146 0.168857 0.881761 Mg\n0.330146 0.661290 0.368239 Mg\n0.330146 0.661290 0.881761 Mg\n0.838832 0.169417 0.371146 Mg\n0.838832 0.169417 0.878854 Mg\n0.833994 0.666998 0.374381 Mg\n0.833994 0.666998 0.875619 Mg\n0.162521 0.331260 0.125000 Mn\n0.167106 0.833553 0.125000 Cd\n",
"nsites": 16,
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"elements": [
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"Mn",
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],
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"density": 2.4034997192655347,
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"volume": 350.7057847422027,
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"formula_full": "Mg14 Mn1 Cd1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:37:02.906000Z",
"spacegroup": 38
},
{
"id": "mp-1178668",
"created_at": "2022-09-04T14:48:10.458184Z",
"structure_string": "Zn2 O4 F4\n1.0\n6.392251 1.497906 -0.081966\n-0.095507 1.490359 7.064728\n6.295966 -0.004010 6.985001\nZn O F\n2 4 4\ndirect\n0.261328 0.258421 0.239031 Zn\n0.995821 0.997506 0.002081 Zn\n0.391182 0.109589 0.104854 O\n0.113827 0.392838 0.387551 O\n0.846806 0.133043 0.149581 O\n0.133632 0.847714 0.869192 O\n0.865609 0.652767 0.844537 F\n0.657283 0.863499 0.633389 F\n0.393501 0.600080 0.394505 F\n0.596838 0.394423 0.610796 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"O",
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],
"chemical_system": "F-O-Zn",
"density": 3.328083625278524,
"density_atomic": 0.07400851637276543,
"volume": 135.11958474659986,
"volume_molar": 8.137091587767733,
"formula_full": "Zn2 O4 F4",
"formula_reduced": "Zn(OF)2",
"formula_anonymous": "AB2C2",
"energy": -36.471025350000005,
"energy_per_atom": -3.6471025350000006,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.678000Z",
"spacegroup": 15
},
{
"id": "mp-1220081",
"created_at": "2022-09-04T14:44:16.967422Z",
"structure_string": "Ni4 Ru1\n1.0\n10.156796 -1.279184 0.000000\n10.156796 1.279184 0.000000\n9.995691 0.000000 2.209746\nNi Ru\n4 1\ndirect\n0.598397 0.598397 0.598397 Ni\n0.199487 0.199487 0.199487 Ni\n0.800513 0.800513 0.800513 Ni\n0.401603 0.401603 0.401603 Ni\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ni-Ru",
"density": 9.71234438946005,
"density_atomic": 0.08707789138029914,
"volume": 57.41985618557617,
"volume_molar": 6.915809127369928,
"formula_full": "Ni4 Ru1",
"formula_reduced": "Ni4Ru",
"formula_anonymous": "AB4",
"energy": -31.87210275,
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"updated_at": "2021-11-28T01:36:28.448000Z",
"spacegroup": 166
},
{
"id": "mp-984705",
"created_at": "2022-09-04T14:45:36.846905Z",
"structure_string": "Er1 Ru3\n1.0\n-2.010016 2.010016 4.056824\n2.010016 -2.010016 4.056824\n2.010016 2.010016 -4.056824\nEr Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ru"
],
"chemical_system": "Er-Ru",
"density": 11.916121497908476,
"density_atomic": 0.061011935747916066,
"volume": 65.5609423134329,
"volume_molar": 9.870430574243324,
"formula_full": "Er1 Ru3",
"formula_reduced": "ErRu3",
"formula_anonymous": "AB3",
"energy": -31.87171499,
"energy_per_atom": -7.9679287475,
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"updated_at": "2021-11-28T01:37:06.652000Z",
"spacegroup": 139
},
{
"id": "mp-864608",
"created_at": "2022-09-04T14:41:11.275045Z",
"structure_string": "Np1 Ga1 Rh2\n1.0\n0.000000 3.237051 3.237051\n3.237051 0.000000 3.237051\n3.237051 3.237051 0.000000\nNp Ga Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Np",
"Ga",
"Rh"
],
"chemical_system": "Ga-Np-Rh",
"density": 12.545649697508798,
"density_atomic": 0.05896324414002463,
"volume": 67.8388724762309,
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"formula_full": "Np1 Ga1 Rh2",
"formula_reduced": "NpGaRh2",
"formula_anonymous": "ABC2",
"energy": -31.87052489,
"energy_per_atom": -7.9676312225,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.949000Z",
"spacegroup": 225
},
{
"id": "mp-1026698",
"created_at": "2022-09-04T14:42:42.375777Z",
"structure_string": "Mg14 Si1 Sb1\n1.0\n6.284741 -0.140753 0.000000\n-3.264266 5.653873 0.000000\n0.000000 0.000000 10.192073\nMg Si Sb\n14 1 1\ndirect\n0.170342 0.335170 0.625000 Mg\n0.171015 0.835507 0.625000 Mg\n0.670023 0.334915 0.125000 Mg\n0.667833 0.333399 0.625000 Mg\n0.670023 0.835107 0.125000 Mg\n0.667833 0.834432 0.625000 Mg\n0.330140 0.169957 0.371280 Mg\n0.330140 0.169957 0.878720 Mg\n0.330140 0.660184 0.371280 Mg\n0.330140 0.660184 0.878720 Mg\n0.837515 0.168758 0.370797 Mg\n0.837515 0.168758 0.879203 Mg\n0.831735 0.665868 0.377134 Mg\n0.831735 0.665868 0.872866 Mg\n0.161313 0.330656 0.125000 Si\n0.162557 0.831278 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sb"
],
"chemical_system": "Mg-Sb-Si",
"density": 2.276689320011166,
"density_atomic": 0.04475857158285017,
"volume": 357.47342764018435,
"volume_molar": 13.454720620055406,
"formula_full": "Mg14 Si1 Sb1",
"formula_reduced": "Mg14SiSb",
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"updated_at": "2021-11-28T01:35:58.371000Z",
"spacegroup": 38
},
{
"id": "mp-864798",
"created_at": "2022-09-04T14:47:10.361211Z",
"structure_string": "Hf1 Zn1 Ir2\n1.0\n0.000000 3.159389 3.159389\n3.159389 0.000000 3.159389\n3.159389 3.159389 0.000000\nHf Zn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"Ir"
],
"chemical_system": "Hf-Ir-Zn",
"density": 16.542443729036968,
"density_atomic": 0.06341918994231834,
"volume": 63.07239186810996,
"volume_molar": 9.495770547490938,
"formula_full": "Hf1 Zn1 Ir2",
"formula_reduced": "HfZnIr2",
"formula_anonymous": "ABC2",
"energy": -31.86712528,
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"updated_at": "2021-11-28T01:37:56.667000Z",
"spacegroup": 225
},
{
"id": "mp-1027840",
"created_at": "2022-09-04T14:44:54.917052Z",
"structure_string": "Mg14 Zr1 Cd1\n1.0\n6.429194 0.026903 0.000000\n-3.191298 5.527490 0.000000\n0.000000 0.000000 10.172655\nMg Zr Cd\n14 1 1\ndirect\n0.166636 0.333318 0.625000 Mg\n0.166356 0.833178 0.625000 Mg\n0.663299 0.327715 0.125000 Mg\n0.666638 0.333652 0.625000 Mg\n0.663299 0.835583 0.125000 Mg\n0.666638 0.832984 0.625000 Mg\n0.331675 0.168869 0.373486 Mg\n0.331675 0.168869 0.876514 Mg\n0.331675 0.662807 0.373486 Mg\n0.331675 0.662807 0.876514 Mg\n0.837952 0.168976 0.375147 Mg\n0.837952 0.168976 0.874853 Mg\n0.834264 0.667132 0.371902 Mg\n0.834264 0.667132 0.878098 Mg\n0.163416 0.331707 0.125000 Zr\n0.172586 0.836292 0.125000 Cd\n",
"nsites": 16,
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"elements": [
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"Cd"
],
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{
"id": "mp-1099098",
"created_at": "2022-09-04T14:42:26.130697Z",
"structure_string": "Ce1 Mg14 Bi1\n1.0\n3.276647 -5.675319 0.000000\n3.276647 5.675319 0.000000\n0.000000 0.000000 10.784349\nCe Mg Bi\n1 14 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.008662 0.504331 0.000000 Mg\n0.996335 0.498167 0.500000 Mg\n0.495669 0.991338 0.000000 Mg\n0.501833 0.003665 0.500000 Mg\n0.495669 0.504331 0.000000 Mg\n0.501833 0.498167 0.500000 Mg\n0.167481 0.832519 0.249825 Mg\n0.167481 0.832519 0.750175 Mg\n0.167481 0.334962 0.249825 Mg\n0.167481 0.334962 0.750175 Mg\n0.665038 0.832519 0.249825 Mg\n0.665038 0.832519 0.750175 Mg\n0.666667 0.333333 0.242789 Mg\n0.666667 0.333333 0.757211 Mg\n0.000000 0.000000 0.500000 Bi\n",
"nsites": 16,
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],
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"formula_full": "Ce1 Mg14 Bi1",
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},
{
"id": "mp-1184277",
"created_at": "2022-09-04T14:41:00.173910Z",
"structure_string": "Eu2 Zn1 Ir1\n1.0\n0.000000 3.585757 3.585757\n3.585757 0.000000 3.585757\n3.585757 3.585757 0.000000\nEu Zn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"formula_full": "Eu2 Zn1 Ir1",
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"spacegroup": 225
},
{
"id": "mp-1025029",
"created_at": "2022-09-04T14:48:19.602417Z",
"structure_string": "Pr2 H2 Se2\n1.0\n2.031383 -3.518459 0.000000\n2.031383 3.518459 0.000000\n0.000000 0.000000 8.025771\nPr H Se\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
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"updated_at": "2021-11-28T01:38:56.786000Z",
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}
]
}