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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=25",
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"results": [
{
"id": "mp-1044316",
"created_at": "2022-09-04T14:40:09.511134Z",
"structure_string": "Ti2 Mn2 Zn2 P6 O24\n1.0\n7.385007 -4.319723 0.000000\n7.385007 4.319723 0.000000\n4.858265 0.000000 7.042413\nTi Mn Zn P O\n2 2 2 6 24\ndirect\n0.855466 0.855466 0.855466 Ti\n0.355466 0.355466 0.355466 Ti\n0.644472 0.644472 0.644472 Mn\n0.144472 0.144472 0.144472 Mn\n0.002333 0.002333 0.002333 Zn\n0.502333 0.502333 0.502333 Zn\n0.249079 0.954715 0.544590 P\n0.954715 0.544590 0.249079 P\n0.544590 0.249079 0.954715 P\n0.454715 0.749079 0.044590 P\n0.044590 0.454715 0.749079 P\n0.749079 0.044590 0.454715 P\n0.686305 0.889268 0.490005 O\n0.490005 0.686305 0.889268 O\n0.085805 0.946093 0.740969 O\n0.889268 0.490005 0.686305 O\n0.186305 0.990005 0.389268 O\n0.409601 0.759480 0.562960 O\n0.946093 0.740969 0.085805 O\n0.759480 0.562960 0.409601 O\n0.619630 0.813503 0.995730 O\n0.562960 0.409601 0.759480 O\n0.259480 0.909601 0.062960 O\n0.995730 0.619630 0.813503 O\n0.990005 0.389268 0.186305 O\n0.740969 0.085805 0.946093 O\n0.446093 0.585805 0.240969 O\n0.389268 0.186305 0.990005 O\n0.240969 0.446093 0.585805 O\n0.062960 0.259480 0.909601 O\n0.585805 0.240969 0.446093 O\n0.813503 0.995730 0.619630 O\n0.119630 0.495730 0.313503 O\n0.909601 0.062960 0.259480 O\n0.495730 0.313503 0.119630 O\n0.313503 0.119630 0.495730 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Mn",
"Zn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti-Zn",
"density": 3.349205699651218,
"density_atomic": 0.08012060212619032,
"volume": 449.32263418714496,
"volume_molar": 7.516344860358264,
"formula_full": "Ti2 Mn2 Zn2 P6 O24",
"formula_reduced": "TiMnZn(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -282.90820519,
"energy_per_atom": -7.8585612552777775,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -263.08420519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9993391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.647000Z",
"spacegroup": 161
},
{
"id": "mp-776483",
"created_at": "2022-09-04T14:40:09.512464Z",
"structure_string": "Li8 Mn4 P4 O16 F4\n1.0\n7.402659 0.000000 0.000000\n-3.521795 -6.825798 0.000000\n-0.233915 0.083848 -7.989589\nLi Mn P O F\n8 4 4 16 4\ndirect\n0.718796 0.166295 0.848247 Li\n0.675614 0.584005 0.942008 Li\n0.064296 0.837774 0.670047 Li\n0.387989 0.174790 0.820379 Li\n0.583610 0.855985 0.174795 Li\n0.249744 0.496050 0.253894 Li\n0.825702 0.404807 0.553265 Li\n0.914772 0.138559 0.325307 Li\n0.481606 0.984028 0.492755 Mn\n0.506963 0.507492 0.508320 Mn\n0.018554 0.516755 0.996881 Mn\n0.015827 0.007546 0.009580 Mn\n0.476252 0.767943 0.855637 P\n0.027861 0.230763 0.643238 P\n0.981880 0.760229 0.348749 P\n0.519235 0.236503 0.150612 P\n0.685300 0.921432 0.938788 O\n0.342402 0.666170 0.007771 O\n0.513108 0.615157 0.757257 O\n0.115466 0.119457 0.754664 O\n0.389186 0.880632 0.745296 O\n0.976823 0.368648 0.756189 O\n0.169528 0.346771 0.500864 O\n0.819318 0.089202 0.558109 O\n0.176562 0.916134 0.439169 O\n0.837426 0.648037 0.495315 O\n0.023444 0.613974 0.245004 O\n0.616530 0.131472 0.262352 O\n0.880724 0.863321 0.237765 O\n0.486461 0.390553 0.249076 O\n0.666139 0.337784 0.998827 O\n0.322176 0.084143 0.059329 O\n0.946824 0.729260 0.881018 F\n0.457963 0.725047 0.372240 F\n0.555788 0.268756 0.628058 F\n0.038616 0.272105 0.125810 F\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.0074295018295483,
"density_atomic": 0.08917372032397755,
"volume": 403.7063819834834,
"volume_molar": 6.753268494485737,
"formula_full": "Li8 Mn4 P4 O16 F4",
"formula_reduced": "Li2MnPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -257.01950927,
"energy_per_atom": -7.139430813055556,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 3.342,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.359000Z",
"spacegroup": 1
},
{
"id": "mp-1446497",
"created_at": "2022-09-04T14:40:09.535753Z",
"structure_string": "Ca4 Mn2 N4\n1.0\n2.499223 5.463125 0.000000\n-2.499223 5.463125 0.000000\n0.000000 3.390977 5.717675\nCa Mn N\n4 2 4\ndirect\n0.318960 0.318960 0.612097 Ca\n0.681040 0.681040 0.387903 Ca\n0.966363 0.966363 0.772580 Ca\n0.033637 0.033637 0.227420 Ca\n0.628829 0.628829 0.870213 Mn\n0.371171 0.371171 0.129787 Mn\n0.809161 0.809161 0.627376 N\n0.190839 0.190839 0.372624 N\n0.514153 0.514153 0.196498 N\n0.485847 0.485847 0.803502 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"N"
],
"chemical_system": "Ca-Mn-N",
"density": 3.469423132309705,
"density_atomic": 0.06404782585488188,
"volume": 156.13332484786878,
"volume_molar": 9.402568595606713,
"formula_full": "Ca4 Mn2 N4",
"formula_reduced": "Ca2MnN2",
"formula_anonymous": "AB2C2",
"energy": -68.68153444000001,
"energy_per_atom": -6.868153444000001,
"energy_above_hull": null,
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"energy_uncorrected": -67.23753444,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.730000Z",
"spacegroup": 12
},
{
"id": "mp-4091",
"created_at": "2022-09-04T14:40:09.539298Z",
"structure_string": "Ni8 Mo12 N4\n1.0\n6.660131 0.000000 0.000000\n0.000000 6.660131 0.000000\n0.000000 0.000000 6.660131\nNi Mo N\n8 12 4\ndirect\n0.933557 0.566443 0.433557 Ni\n0.183557 0.816443 0.316443 Ni\n0.433557 0.933557 0.566443 Ni\n0.683557 0.683557 0.683557 Ni\n0.816443 0.316443 0.183557 Ni\n0.316443 0.183557 0.816443 Ni\n0.566443 0.433557 0.933557 Ni\n0.066443 0.066443 0.066443 Ni\n0.200717 0.450717 0.125000 Mo\n0.049283 0.875000 0.700717 Mo\n0.450717 0.125000 0.200717 Mo\n0.299283 0.549283 0.625000 Mo\n0.950717 0.375000 0.799283 Mo\n0.549283 0.625000 0.299283 Mo\n0.700717 0.049283 0.875000 Mo\n0.625000 0.299283 0.549283 Mo\n0.875000 0.700717 0.049283 Mo\n0.375000 0.799283 0.950717 Mo\n0.125000 0.200717 0.450717 Mo\n0.799283 0.950717 0.375000 Mo\n0.875000 0.125000 0.625000 N\n0.625000 0.875000 0.125000 N\n0.125000 0.625000 0.875000 N\n0.375000 0.375000 0.375000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mo",
"N"
],
"chemical_system": "Mo-N-Ni",
"density": 9.425318485130456,
"density_atomic": 0.081238692902162,
"volume": 295.42572809367897,
"volume_molar": 7.412897161273421,
"formula_full": "Ni8 Mo12 N4",
"formula_reduced": "Ni2Mo3N",
"formula_anonymous": "AB2C3",
"energy": -217.35277042,
"energy_per_atom": -9.056365434166667,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.856000Z",
"spacegroup": 213
},
{
"id": "mp-1212001",
"created_at": "2022-09-04T14:40:09.529950Z",
"structure_string": "K12 Si24 H24 N44\n1.0\n10.908638 0.000000 0.000000\n0.000000 10.908638 0.000000\n0.000000 0.000000 10.908638\nK Si H N\n12 24 24 44\ndirect\n0.792176 0.792176 0.792176 K\n0.707824 0.207824 0.292176 K\n0.207824 0.292176 0.707824 K\n0.542176 0.042176 0.457824 K\n0.292176 0.707824 0.207824 K\n0.957824 0.957824 0.957824 K\n0.042176 0.457824 0.542176 K\n0.457824 0.542176 0.042176 K\n0.375000 0.375000 0.375000 K\n0.125000 0.625000 0.875000 K\n0.625000 0.875000 0.125000 K\n0.875000 0.125000 0.625000 K\n0.089023 0.236040 0.315063 Si\n0.410977 0.763960 0.815063 Si\n0.910977 0.736040 0.184937 Si\n0.315063 0.089023 0.236040 Si\n0.986040 0.339023 0.934937 Si\n0.589023 0.263960 0.684937 Si\n0.815063 0.410977 0.763960 Si\n0.513960 0.660977 0.434937 Si\n0.184937 0.910977 0.736040 Si\n0.486040 0.160977 0.065063 Si\n0.684937 0.589023 0.263960 Si\n0.013960 0.839023 0.565063 Si\n0.236040 0.315063 0.089023 Si\n0.839023 0.565063 0.013960 Si\n0.736040 0.184937 0.910977 Si\n0.660977 0.434937 0.513960 Si\n0.263960 0.684937 0.589023 Si\n0.339023 0.934937 0.986040 Si\n0.763960 0.815063 0.410977 Si\n0.160977 0.065063 0.486040 Si\n0.934937 0.986040 0.339023 Si\n0.434937 0.513960 0.660977 Si\n0.565063 0.013960 0.839023 Si\n0.065063 0.486040 0.160977 Si\n0.046372 0.628903 0.313980 H\n0.453628 0.371097 0.813980 H\n0.953628 0.128903 0.186020 H\n0.313980 0.046372 0.628903 H\n0.378903 0.296372 0.936020 H\n0.546372 0.871097 0.686020 H\n0.813980 0.453628 0.371097 H\n0.121097 0.703628 0.436020 H\n0.186020 0.953628 0.128903 H\n0.878903 0.203628 0.063980 H\n0.686020 0.546372 0.871097 H\n0.621097 0.796372 0.563980 H\n0.628903 0.313980 0.046372 H\n0.796372 0.563980 0.621097 H\n0.128903 0.186020 0.953628 H\n0.703628 0.436020 0.121097 H\n0.871097 0.686020 0.546372 H\n0.296372 0.936020 0.378903 H\n0.371097 0.813980 0.453628 H\n0.203628 0.063980 0.878903 H\n0.936020 0.378903 0.296372 H\n0.436020 0.121097 0.703628 H\n0.563980 0.621097 0.796372 H\n0.063980 0.878903 0.203628 H\n0.125000 0.215307 0.465307 N\n0.375000 0.784693 0.965307 N\n0.875000 0.715307 0.034693 N\n0.465307 0.125000 0.215307 N\n0.965307 0.375000 0.784693 N\n0.625000 0.284693 0.534693 N\n0.534693 0.625000 0.284693 N\n0.034693 0.875000 0.715307 N\n0.215307 0.465307 0.125000 N\n0.715307 0.034693 0.875000 N\n0.284693 0.534693 0.625000 N\n0.784693 0.965307 0.375000 N\n0.217826 0.217826 0.217826 N\n0.282174 0.782174 0.717826 N\n0.782174 0.717826 0.282174 N\n0.967826 0.467826 0.032174 N\n0.717826 0.282174 0.782174 N\n0.532174 0.532174 0.532174 N\n0.467826 0.032174 0.967826 N\n0.032174 0.967826 0.467826 N\n0.028617 0.381535 0.280485 N\n0.471383 0.618465 0.780485 N\n0.971383 0.881535 0.219515 N\n0.280485 0.028617 0.381535 N\n0.131535 0.278617 0.969515 N\n0.528617 0.118465 0.719515 N\n0.780485 0.471383 0.618465 N\n0.368465 0.721383 0.469515 N\n0.219515 0.971383 0.881535 N\n0.631535 0.221383 0.030485 N\n0.719515 0.528617 0.118465 N\n0.868465 0.778617 0.530485 N\n0.381535 0.280485 0.028617 N\n0.778617 0.530485 0.868465 N\n0.881535 0.219515 0.971383 N\n0.721383 0.469515 0.368465 N\n0.118465 0.719515 0.528617 N\n0.278617 0.969515 0.131535 N\n0.618465 0.780485 0.471383 N\n0.221383 0.030485 0.631535 N\n0.969515 0.131535 0.278617 N\n0.469515 0.368465 0.721383 N\n0.530485 0.868465 0.778617 N\n0.030485 0.631535 0.221383 N\n",
"nsites": 104,
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"elements": [
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"Si",
"H",
"N"
],
"chemical_system": "H-K-N-Si",
"density": 2.2817257785124805,
"density_atomic": 0.08011645957225268,
"volume": 1298.1102828964636,
"volume_molar": 7.516733505390312,
"formula_full": "K12 Si24 H24 N44",
"formula_reduced": "K3Si6H6N11",
"formula_anonymous": "A3B6C6D11",
"energy": -690.37671346,
"energy_per_atom": -6.638237629423077,
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"updated_at": "2021-11-28T01:34:57.488000Z",
"spacegroup": 213
},
{
"id": "mp-1094615",
"created_at": "2022-09-04T14:40:09.539009Z",
"structure_string": "Mg2 Ga4\n1.0\n1.537325 -2.662724 0.000000\n1.537325 2.662724 0.000000\n0.000000 0.000000 14.598027\nMg Ga\n2 4\ndirect\n0.333333 0.666667 0.907646 Mg\n0.666667 0.333333 0.092354 Mg\n0.666667 0.333333 0.744831 Ga\n0.333333 0.666667 0.585195 Ga\n0.666667 0.333333 0.414805 Ga\n0.333333 0.666667 0.255169 Ga\n",
"nsites": 6,
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"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.550373580989406,
"density_atomic": 0.050203644969691825,
"volume": 119.51323461916417,
"volume_molar": 11.995425359325193,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.25957525,
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"updated_at": "2021-11-28T01:34:54.874000Z",
"spacegroup": 164
},
{
"id": "mp-1094109",
"created_at": "2022-09-04T14:40:09.544192Z",
"structure_string": "Na6 Mn1 Ni3 Sb2 O12\n1.0\n9.370449 0.000000 0.000000\n0.000000 5.416125 0.000000\n0.000000 1.803983 5.424750\nNa Mn Ni Sb O\n6 1 3 2 12\ndirect\n0.998683 0.500000 0.500000 Na\n0.825657 0.000000 0.500000 Na\n0.172258 0.000000 0.500000 Na\n0.501762 0.000000 0.500000 Na\n0.325839 0.500000 0.500000 Na\n0.674789 0.500000 0.500000 Na\n0.333972 0.000000 0.000000 Mn\n0.164970 0.500000 0.000000 Ni\n0.833920 0.500000 0.000000 Ni\n0.667756 0.000000 0.000000 Ni\n0.997002 0.000000 0.000000 Sb\n0.503189 0.500000 0.000000 Sb\n0.152499 0.230692 0.792272 O\n0.999845 0.249551 0.201638 O\n0.999845 0.750449 0.798362 O\n0.839662 0.226428 0.797641 O\n0.152499 0.769308 0.207728 O\n0.839662 0.773572 0.202359 O\n0.659909 0.728775 0.797559 O\n0.505623 0.742700 0.207044 O\n0.505623 0.257300 0.792956 O\n0.342563 0.717137 0.791572 O\n0.659909 0.271225 0.202441 O\n0.342563 0.282863 0.208428 O\n",
"nsites": 24,
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"elements": [
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"Mn",
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"Sb",
"O"
],
"chemical_system": "Mn-Na-Ni-O-Sb",
"density": 4.852102410655626,
"density_atomic": 0.08717308846964532,
"volume": 275.3143248831556,
"volume_molar": 6.908256740378058,
"formula_full": "Na6 Mn1 Ni3 Sb2 O12",
"formula_reduced": "Na6MnNi3(SbO6)2",
"formula_anonymous": "AB2C3D6E12",
"energy": -146.3663863,
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"updated_at": "2021-11-28T01:34:55.170000Z",
"spacegroup": 3
},
{
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