HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=100",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=98",
"results": [
{
"id": "mp-973983",
"created_at": "2022-09-04T14:39:09.953924Z",
"structure_string": "Ni2 Pd6\n1.0\n2.694990 -4.667860 0.000000\n2.694990 4.667860 0.000000\n0.000000 0.000000 4.420514\nNi Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n0.830705 0.169295 0.750000 Pd\n0.338590 0.169295 0.750000 Pd\n0.830705 0.661410 0.750000 Pd\n0.169295 0.830705 0.250000 Pd\n0.661410 0.830705 0.250000 Pd\n0.169295 0.338590 0.250000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd",
"density": 11.28598850379075,
"density_atomic": 0.07193036115992842,
"volume": 111.21868250060601,
"volume_molar": 8.372182014504977,
"formula_full": "Ni2 Pd6",
"formula_reduced": "NiPd3",
"formula_anonymous": "AB3",
"energy": -42.0979598,
"energy_per_atom": -5.262244975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.0979598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2024207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.405000Z",
"spacegroup": 194
},
{
"id": "mp-1186159",
"created_at": "2022-09-04T14:39:17.066838Z",
"structure_string": "Np2 Ag6\n1.0\n3.247066 -5.624083 0.000000\n3.247066 5.624083 0.000000\n0.000000 0.000000 4.861963\nNp Ag\n2 6\ndirect\n0.666667 0.333333 0.250000 Np\n0.333333 0.666667 0.750000 Np\n0.152755 0.847245 0.250000 Ag\n0.694491 0.847245 0.250000 Ag\n0.152755 0.305509 0.250000 Ag\n0.847245 0.152755 0.750000 Ag\n0.305509 0.152755 0.750000 Ag\n0.847245 0.694491 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Ag"
],
"chemical_system": "Ag-Np",
"density": 10.484585542738115,
"density_atomic": 0.04505111086883671,
"volume": 177.57608737532496,
"volume_molar": 13.367352422303323,
"formula_full": "Np2 Ag6",
"formula_reduced": "NpAg3",
"formula_anonymous": "AB3",
"energy": -40.24565994,
"energy_per_atom": -5.0307074925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.24565994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8921201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.660000Z",
"spacegroup": 194
},
{
"id": "mp-1186988",
"created_at": "2022-09-04T14:39:17.029461Z",
"structure_string": "Sc2 Ni6\n1.0\n2.650842 -4.591392 0.000000\n2.650842 4.591392 0.000000\n0.000000 0.000000 4.221649\nSc Ni\n2 6\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n0.157640 0.315280 0.250000 Ni\n0.684720 0.842360 0.250000 Ni\n0.157640 0.842360 0.250000 Ni\n0.842360 0.684720 0.750000 Ni\n0.315280 0.157640 0.750000 Ni\n0.842360 0.157640 0.750000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Ni"
],
"chemical_system": "Ni-Sc",
"density": 7.14335102859949,
"density_atomic": 0.07784839322034963,
"volume": 102.76384224599248,
"volume_molar": 7.735729038047515,
"formula_full": "Sc2 Ni6",
"formula_reduced": "ScNi3",
"formula_anonymous": "AB3",
"energy": -50.45899616,
"energy_per_atom": -6.30737452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.45899616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.784546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.216000Z",
"spacegroup": 194
},
{
"id": "mp-684956",
"created_at": "2022-09-04T14:39:16.960419Z",
"structure_string": "Tl4 O6\n1.0\n17.735460 -1.777433 0.000000\n17.735460 1.777433 0.000000\n17.557327 0.000000 3.073447\nTl O\n4 6\ndirect\n0.257076 0.257076 0.257076 Tl\n0.742924 0.742924 0.742924 Tl\n0.133438 0.133438 0.133438 Tl\n0.866562 0.866562 0.866562 Tl\n0.939181 0.939181 0.939181 O\n0.438157 0.438157 0.438157 O\n0.185443 0.185443 0.185443 O\n0.060819 0.060819 0.060819 O\n0.814557 0.814557 0.814557 O\n0.561843 0.561843 0.561843 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 7.828531458493548,
"density_atomic": 0.05160699598943305,
"volume": 193.77217774984578,
"volume_molar": 11.669233297813113,
"formula_full": "Tl4 O6",
"formula_reduced": "Tl2O3",
"formula_anonymous": "A2B3",
"energy": -48.84194102000001,
"energy_per_atom": -4.884194102,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.71994102,
"band_gap": 0.1854,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.381000Z",
"spacegroup": 166
},
{
"id": "mp-1245248",
"created_at": "2022-09-04T14:39:19.841352Z",
"structure_string": "Zn50 S50\n1.0\n13.636843 0.397040 -0.121859\n0.335776 13.213290 -1.029398\n-0.148336 -1.075739 13.404467\nZn S\n50 50\ndirect\n0.513787 0.874505 0.283121 Zn\n0.461429 0.644850 0.540355 Zn\n0.358508 0.855102 0.604164 Zn\n0.023695 0.367429 0.231238 Zn\n0.487855 0.169740 0.625400 Zn\n0.889315 0.710099 0.923318 Zn\n0.433822 0.364269 0.135738 Zn\n0.978098 0.745393 0.318254 Zn\n0.023627 0.454784 0.525720 Zn\n0.268285 0.361051 0.898067 Zn\n0.069101 0.047108 0.305294 Zn\n0.116193 0.294596 0.918401 Zn\n0.568183 0.962958 0.532775 Zn\n0.811981 0.159976 0.229376 Zn\n0.949844 0.112147 0.781757 Zn\n0.246157 0.721698 0.532819 Zn\n0.151664 0.000056 0.740097 Zn\n0.684101 0.579837 0.919334 Zn\n0.959562 0.231904 0.093819 Zn\n0.732749 0.278412 0.017100 Zn\n0.932980 0.927673 0.533712 Zn\n0.801607 0.791101 0.335318 Zn\n0.484094 0.724595 0.992465 Zn\n0.379974 0.057818 0.815718 Zn\n0.753701 0.964616 0.967893 Zn\n0.004559 0.206162 0.554395 Zn\n0.726172 0.397005 0.376937 Zn\n0.954116 0.842910 0.147564 Zn\n0.500945 0.628566 0.713220 Zn\n0.710581 0.026051 0.796261 Zn\n0.251924 0.160134 0.132500 Zn\n0.684711 0.715241 0.120100 Zn\n0.935202 0.453561 0.765170 Zn\n0.137695 0.624978 0.256140 Zn\n0.396869 0.482025 0.421903 Zn\n0.828460 0.399424 0.943143 Zn\n0.596433 0.570194 0.228521 Zn\n0.108001 0.710502 0.772720 Zn\n0.637486 0.858737 0.779011 Zn\n0.748354 0.283295 0.699344 Zn\n0.332738 0.420540 0.564139 Zn\n0.167243 0.987269 0.973140 Zn\n0.855421 0.394475 0.133608 Zn\n0.888912 0.714005 0.632229 Zn\n0.225092 0.866983 0.239708 Zn\n0.386182 0.677694 0.376135 Zn\n0.619928 0.332789 0.534855 Zn\n0.540948 0.278197 0.859349 Zn\n0.874833 0.589719 0.335675 Zn\n0.470395 0.119912 0.067168 Zn\n0.299788 0.575340 0.031636 S\n0.917657 0.353092 0.608652 S\n0.107668 0.876832 0.834635 S\n0.752240 0.448859 0.795732 S\n0.596768 0.715277 0.847906 S\n0.123332 0.271625 0.100636 S\n0.532982 0.108731 0.778483 S\n0.829399 0.967776 0.395233 S\n0.816931 0.625348 0.031814 S\n0.563657 0.261952 0.024512 S\n0.107200 0.197611 0.419175 S\n0.156870 0.938137 0.405210 S\n0.524777 0.395092 0.749784 S\n0.597022 0.988026 0.042396 S\n0.572783 0.588306 0.054409 S\n0.104413 0.756782 0.164088 S\n0.998343 0.537778 0.215287 S\n0.393043 0.443364 0.991312 S\n0.085947 0.119388 0.881339 S\n0.628315 0.482919 0.498050 S\n0.166617 0.469580 0.635087 S\n0.990824 0.420891 0.917297 S\n0.542098 0.844666 0.625746 S\n0.017400 0.060932 0.625743 S\n0.396061 0.323051 0.693565 S\n0.795598 0.174058 0.816027 S\n0.334119 0.043602 0.971802 S\n0.753097 0.492857 0.253008 S\n0.216653 0.618528 0.665552 S\n0.394843 0.218627 0.202854 S\n0.072639 0.827653 0.453070 S\n0.905560 0.994065 0.268308 S\n0.423121 0.062286 0.484075 S\n0.548832 0.027520 0.385940 S\n0.232405 0.597667 0.385540 S\n0.296372 0.021110 0.669825 S\n0.330175 0.680000 0.942108 S\n0.460114 0.494851 0.265381 S\n0.945247 0.606074 0.494005 S\n0.655708 0.184605 0.578684 S\n0.563671 0.859633 0.102670 S\n0.952487 0.638832 0.770633 S\n0.821726 0.130592 0.061046 S\n0.169886 0.011532 0.157934 S\n0.096458 0.346718 0.383917 S\n0.644768 0.745302 0.297261 S\n0.899311 0.875593 0.994230 S\n0.820212 0.869783 0.631391 S\n0.376531 0.785235 0.255956 S\n0.795962 0.241346 0.379632 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.3744663390711613,
"density_atomic": 0.04169627037115764,
"volume": 2398.2960372679404,
"volume_molar": 14.442876320577744,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -330.71203432,
"energy_per_atom": -3.3071203432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.56203432,
"band_gap": 0.7802,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.408000Z",
"spacegroup": 1
},
{
"id": "mp-29631",
"created_at": "2022-09-04T14:39:09.938905Z",
"structure_string": "Li22 Ge12\n1.0\n2.159613 -12.436547 0.000000\n2.159613 12.436547 0.000000\n0.000000 0.000000 10.621239\nLi Ge\n22 12\ndirect\n0.820154 0.179846 0.880252 Li\n0.179846 0.820154 0.119748 Li\n0.179846 0.820154 0.380252 Li\n0.820154 0.179846 0.619748 Li\n0.090536 0.909464 0.000706 Li\n0.909464 0.090536 0.999294 Li\n0.909464 0.090536 0.500706 Li\n0.090536 0.909464 0.499294 Li\n0.856697 0.143303 0.250000 Li\n0.143303 0.856697 0.750000 Li\n0.974127 0.025873 0.250000 Li\n0.025873 0.974127 0.750000 Li\n0.360545 0.639455 0.750000 Li\n0.639455 0.360545 0.250000 Li\n0.465000 0.535000 0.887405 Li\n0.535000 0.465000 0.112595 Li\n0.535000 0.465000 0.387405 Li\n0.465000 0.535000 0.612595 Li\n0.241731 0.758269 0.605580 Li\n0.758269 0.241731 0.394420 Li\n0.758269 0.241731 0.105580 Li\n0.241731 0.758269 0.894420 Li\n0.080729 0.919271 0.250000 Ge\n0.919271 0.080729 0.750000 Ge\n0.271573 0.728427 0.250000 Ge\n0.728427 0.271573 0.750000 Ge\n0.671149 0.328851 0.552031 Ge\n0.328851 0.671149 0.447969 Ge\n0.328851 0.671149 0.052031 Ge\n0.671149 0.328851 0.947969 Ge\n0.575501 0.424499 0.633983 Ge\n0.424499 0.575501 0.366017 Ge\n0.424499 0.575501 0.133983 Ge\n0.575501 0.424499 0.866017 Ge\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Li",
"Ge"
],
"chemical_system": "Ge-Li",
"density": 2.981467711277112,
"density_atomic": 0.059593376297803036,
"volume": 570.5332054034576,
"volume_molar": 10.105386091745924,
"formula_full": "Li22 Ge12",
"formula_reduced": "Li11Ge6",
"formula_anonymous": "A6B11",
"energy": -108.26033436,
"energy_per_atom": -3.184127481176471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.26033436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0407105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.403000Z",
"spacegroup": 63
},
{
"id": "mp-32755",
"created_at": "2022-09-04T14:39:20.376375Z",
"structure_string": "La16 Te24\n1.0\n-4.836854 4.836854 14.545313\n4.836854 -4.836854 14.545313\n4.836854 4.836854 -14.545313\nLa Te\n16 24\ndirect\n0.203574 0.329048 0.614007 La\n0.417679 0.917679 0.500000 La\n0.995069 0.625000 0.870069 La\n0.034959 0.920952 0.374525 La\n0.332321 0.332321 0.000000 La\n0.546426 0.660433 0.625475 La\n0.754931 0.125000 0.129931 La\n0.339567 0.965041 0.885993 La\n0.375000 0.245069 0.370069 La\n0.667679 0.667679 0.000000 La\n0.875000 0.004931 0.629931 La\n0.079048 0.453574 0.114007 La\n0.082321 0.582321 0.500000 La\n0.670952 0.284959 0.874525 La\n0.715041 0.589567 0.385993 La\n0.410433 0.796426 0.125475 La\n0.507631 0.259758 0.902301 Te\n0.720501 0.822828 0.747324 Te\n0.357457 0.605330 0.097699 Te\n0.242369 0.644670 0.252127 Te\n0.392543 0.990242 0.747873 Te\n0.075505 0.973177 0.252676 Te\n0.845757 0.591985 0.906315 Te\n0.029499 0.276823 0.602327 Te\n0.060559 0.154243 0.746228 Te\n0.685670 0.939441 0.093685 Te\n0.674495 0.427172 0.397673 Te\n0.572828 0.970501 0.247324 Te\n0.723177 0.325505 0.752676 Te\n0.408015 0.314330 0.253772 Te\n0.177172 0.924495 0.897673 Te\n0.355330 0.607457 0.597699 Te\n0.394670 0.492369 0.752127 Te\n0.026823 0.279499 0.102327 Te\n0.009758 0.757631 0.402301 Te\n0.904243 0.310559 0.246228 Te\n0.064330 0.658015 0.753772 Te\n0.740242 0.642543 0.247873 Te\n0.689441 0.935670 0.593685 Te\n0.341985 0.095757 0.406315 Te\n",
"nsites": 40,
"nelements": 2,
"elements": [
"La",
"Te"
],
"chemical_system": "La-Te",
"density": 6.447269531554443,
"density_atomic": 0.029386710315528287,
"volume": 1361.1595027315298,
"volume_molar": 20.49273530565219,
"formula_full": "La16 Te24",
"formula_reduced": "La2Te3",
"formula_anonymous": "A2B3",
"energy": -228.71205287,
"energy_per_atom": -5.7178013217500006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.58405287,
"band_gap": 0.9992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.536000Z",
"spacegroup": 122
},
{
"id": "mp-754720",
"created_at": "2022-09-04T14:39:16.958777Z",
"structure_string": "Co2 O4\n1.0\n10.417254 -1.412698 0.000000\n10.417254 1.412698 0.000000\n10.225676 0.000000 2.439354\nCo O\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.636447 0.636447 0.636447 O\n0.197294 0.197294 0.197294 O\n0.802706 0.802706 0.802706 O\n0.363553 0.363553 0.363553 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.2061853181484405,
"density_atomic": 0.08356873746349307,
"volume": 71.7971837569174,
"volume_molar": 7.206212445929037,
"formula_full": "Co2 O4",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -39.65130735,
"energy_per_atom": -6.608551225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.62730735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.216000Z",
"spacegroup": 166
},
{
"id": "mp-1397279",
"created_at": "2022-09-04T14:39:16.955868Z",
"structure_string": "Sr4 Mg2\n1.0\n3.050188 -6.900395 0.000000\n3.050188 6.900395 0.000000\n0.000000 0.000000 6.096819\nSr Mg\n4 2\ndirect\n0.103702 0.389770 0.750000 Sr\n0.389770 0.103702 0.750000 Sr\n0.610230 0.896298 0.250000 Sr\n0.896298 0.610230 0.250000 Sr\n0.734809 0.734809 0.750000 Mg\n0.265191 0.265191 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5821774586647908,
"density_atomic": 0.023378540372475803,
"volume": 256.64562048809364,
"volume_molar": 25.759267533613997,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -10.0894326,
"energy_per_atom": -1.6815721000000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.0894326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.934000Z",
"spacegroup": 63
},
{
"id": "mp-556585",
"created_at": "2022-09-04T14:39:19.589588Z",
"structure_string": "Mn4 F8\n1.0\n5.018813 0.000000 0.000000\n0.000000 5.463167 0.000000\n0.000000 0.000000 5.937368\nMn F\n4 8\ndirect\n0.500000 0.750000 0.667989 Mn\n0.000000 0.250000 0.832011 Mn\n0.500000 0.250000 0.332011 Mn\n0.000000 0.750000 0.167989 Mn\n0.726509 0.079772 0.609086 F\n0.226509 0.920228 0.890914 F\n0.773491 0.579772 0.890914 F\n0.273491 0.420228 0.609086 F\n0.726509 0.579772 0.390914 F\n0.226509 0.420228 0.109086 F\n0.773491 0.079772 0.109086 F\n0.273491 0.920228 0.390914 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.791824597744101,
"density_atomic": 0.07371260984037022,
"volume": 162.7943987600878,
"volume_molar": 8.169756535606819,
"formula_full": "Mn4 F8",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy": -87.44947782999999,
"energy_per_atom": -7.287456485833332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.08147783,
"band_gap": 2.3648,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0000152,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.482000Z",
"spacegroup": 60
},
{
"id": "mp-1096913",
"created_at": "2022-09-04T14:39:16.908245Z",
"structure_string": "Cr4 N8\n1.0\n5.563878 0.000000 0.000000\n0.000000 5.655332 0.000000\n0.000000 0.000000 7.856894\nCr N\n4 8\ndirect\n0.997055 0.531004 0.871671 Cr\n0.497055 0.468996 0.128329 Cr\n0.497055 0.968996 0.371671 Cr\n0.997055 0.031004 0.628329 Cr\n0.261312 0.497568 0.999128 N\n0.761312 0.502432 0.000872 N\n0.761312 0.002432 0.499128 N\n0.261312 0.997568 0.500872 N\n0.491643 0.691361 0.276584 N\n0.991643 0.308639 0.723416 N\n0.991643 0.808639 0.776584 N\n0.491643 0.191361 0.223416 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 2.149631646521311,
"density_atomic": 0.04853942730041638,
"volume": 247.2217054752325,
"volume_molar": 12.406699244159274,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -106.63547367,
"energy_per_atom": -8.8862894725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.74747367,
"band_gap": 0.1268,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.613000Z",
"spacegroup": 33
},
{
"id": "mp-1019258",
"created_at": "2022-09-04T14:39:19.580866Z",
"structure_string": "Sr2 F4\n1.0\n2.075840 -3.595460 0.000000\n2.075840 3.595460 0.000000\n0.000000 0.000000 5.871488\nSr F\n2 4\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.333333 0.666667 0.750000 F\n0.666667 0.333333 0.250000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"F"
],
"chemical_system": "F-Sr",
"density": 4.7599274141250865,
"density_atomic": 0.0684580838981194,
"volume": 87.64487199100273,
"volume_molar": 8.796829267033331,
"formula_full": "Sr2 F4",
"formula_reduced": "SrF2",
"formula_anonymous": "AB2",
"energy": -35.39446496,
"energy_per_atom": -5.899077493333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.54646496,
"band_gap": 5.9375,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.788000Z",
"spacegroup": 194
}
]
}