{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=91","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=89","results":[{"id":"mp-1093933","created_at":"2022-09-04T14:43:12.117915Z","structure_string":"Zr2 Fe1 Tc1\n1.0\n-4.500709 5.626246 7.945298\n4.500709 -5.626246 7.945298\n4.500709 5.626246 -7.945298\nZr Fe Tc\n2 1 1\ndirect\n0.000000 0.249869 0.249869 Zr\n0.000000 0.750131 0.750131 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Zr","Fe","Tc"],"chemical_system":"Fe-Tc-Zr","density":0.6939003265221457,"density_atomic":0.00497038646795552,"volume":804.766395085839,"volume_molar":121.16041275311738,"formula_full":"Zr2 Fe1 Tc1","formula_reduced":"Zr2FeTc","formula_anonymous":"ABC2","energy":-22.35253763,"energy_per_atom":-5.5881344075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.35253763,"band_gap":0.0596999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.999102,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.163000Z","spacegroup":71},{"id":"mp-1215638","created_at":"2022-09-04T14:45:12.093242Z","structure_string":"Zr2 Fe1 S4\n1.0\n-1.841132 -3.188630 0.000132\n3.661881 0.012020 -5.999571\n5.475211 -3.160809 -0.004437\nZr Fe S\n2 1 4\ndirect\n0.498822 0.997660 0.493780 Zr\n0.994459 0.988792 0.017450 Zr\n0.317340 0.634815 0.347890 Fe\n0.622610 0.245025 0.044545 S\n0.123031 0.246202 0.540360 S\n0.373553 0.746939 0.952551 S\n0.865235 0.730567 0.475074 S\n","nsites":7,"nelements":3,"elements":["Zr","Fe","S"],"chemical_system":"Fe-S-Zr","density":4.360012205007261,"density_atomic":0.05014179410906963,"volume":139.60409922256537,"volume_molar":12.010221945589931,"formula_full":"Zr2 Fe1 S4","formula_reduced":"Zr2FeS4","formula_anonymous":"AB2C4","energy":-53.11721872,"energy_per_atom":-7.588174102857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.10521872,"band_gap":0.0278,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003254,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.014000Z","spacegroup":8},{"id":"mp-1096307","created_at":"2022-09-04T14:44:16.738166Z","structure_string":"Zr2 Fe1 Ru1\n1.0\n-4.414331 5.369805 7.521292\n4.414331 -5.369805 7.521292\n4.414331 5.369805 -7.521292\nZr Fe Ru\n2 1 1\ndirect\n0.000000 0.245136 0.245136 Zr\n0.000000 0.754864 0.754864 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Fe","Ru"],"chemical_system":"Fe-Ru-Zr","density":0.7902012951207746,"density_atomic":0.005608983218083423,"volume":713.1417307693052,"volume_molar":107.36599711306948,"formula_full":"Zr2 Fe1 Ru1","formula_reduced":"Zr2FeRu","formula_anonymous":"ABC2","energy":-22.14257307,"energy_per_atom":-5.5356432675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.14257307,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.437456,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.458000Z","spacegroup":71},{"id":"mp-1093669","created_at":"2022-09-04T14:44:10.676298Z","structure_string":"Zr2 Fe1 Pt1\n1.0\n-4.763519 5.659004 8.039021\n4.763519 -5.659004 8.039021\n4.763519 5.659004 -8.039021\nZr Fe Pt\n2 1 1\ndirect\n0.000000 0.233295 0.233295 Zr\n0.000000 0.766705 0.766705 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Zr","Fe","Pt"],"chemical_system":"Fe-Pt-Zr","density":0.8302022368271478,"density_atomic":0.0046145455168757855,"volume":866.8242593710821,"volume_molar":130.50344260288512,"formula_full":"Zr2 Fe1 Pt1","formula_reduced":"Zr2FePt","formula_anonymous":"ABC2","energy":-20.65468986,"energy_per_atom":-5.163672465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.65468986,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9977035,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.113000Z","spacegroup":71},{"id":"mp-1096480","created_at":"2022-09-04T14:43:17.312148Z","structure_string":"Zr2 Fe1 Os1\n1.0\n-4.695756 5.609245 7.804839\n4.695756 -5.609245 7.804839\n4.695756 5.609245 -7.804839\nZr Fe Os\n2 1 1\ndirect\n0.000000 0.250992 0.250992 Zr\n0.000000 0.749008 0.749008 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Zr","Fe","Os"],"chemical_system":"Fe-Os-Zr","density":0.8653451470293604,"density_atomic":0.004864364604181893,"volume":822.3067811490118,"volume_molar":123.8011795995466,"formula_full":"Zr2 Fe1 Os1","formula_reduced":"Zr2FeOs","formula_anonymous":"ABC2","energy":-23.07809072,"energy_per_atom":-5.76952268,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.07809072,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.629728,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.829000Z","spacegroup":71},{"id":"mp-1187977","created_at":"2022-09-04T14:41:16.108831Z","structure_string":"Zr2 Fe1 Os1\n1.0\n0.000000 3.242743 3.242743\n3.242743 0.000000 3.242743\n3.242743 3.242743 0.000000\nZr Fe Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Os\n","nsites":4,"nelements":3,"elements":["Zr","Fe","Os"],"chemical_system":"Fe-Os-Zr","density":10.434115670854917,"density_atomic":0.05865329356671621,"volume":68.19736380958949,"volume_molar":10.267353108056943,"formula_full":"Zr2 Fe1 Os1","formula_reduced":"Zr2FeOs","formula_anonymous":"ABC2","energy":-38.25055876,"energy_per_atom":-9.56263969,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.25055876,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.127293,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.560000Z","spacegroup":225},{"id":"mp-1215554","created_at":"2022-09-04T14:45:38.462927Z","structure_string":"Zr2 Fe1 Co3\n1.0\n4.200546 -2.501622 0.000000\n4.200546 2.501622 0.000000\n2.710713 0.000000 4.068751\nZr Fe Co\n2 1 3\ndirect\n0.626598 0.626598 0.626598 Zr\n0.373402 0.373402 0.373402 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":6,"nelements":3,"elements":["Zr","Fe","Co"],"chemical_system":"Co-Fe-Zr","density":8.060751486066145,"density_atomic":0.07016696783043463,"volume":85.51032181552421,"volume_molar":8.582586573433092,"formula_full":"Zr2 Fe1 Co3","formula_reduced":"Zr2FeCo3","formula_anonymous":"AB2C3","energy":-48.72028861,"energy_per_atom":-8.120048101666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.72028861,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0372703,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.839000Z","spacegroup":166},{"id":"mp-1096398","created_at":"2022-09-04T14:41:25.292279Z","structure_string":"Zr2 Fe1 Co1\n1.0\n-4.244825 5.886921 8.316348\n4.244825 -5.886921 8.316348\n4.244825 5.886921 -8.316348\nZr Fe Co\n2 1 1\ndirect\n0.000000 0.245658 0.245658 Zr\n0.000000 0.754342 0.754342 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n","nsites":4,"nelements":3,"elements":["Zr","Fe","Co"],"chemical_system":"Co-Fe-Zr","density":0.5937389436932989,"density_atomic":0.004811930516219008,"volume":831.2671985843666,"volume_molar":125.15020197614824,"formula_full":"Zr2 Fe1 Co1","formula_reduced":"Zr2FeCo","formula_anonymous":"ABC2","energy":-20.015185,"energy_per_atom":-5.00379625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.015185,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0169478,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.703000Z","spacegroup":71},{"id":"mp-540809","created_at":"2022-09-04T14:46:26.590753Z","structure_string":"Zr2 Fe12 P7\n1.0\n4.421802 -7.658785 0.000000\n4.421802 7.658785 0.000000\n0.000000 0.000000 3.596270\nZr Fe P\n2 12 7\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.096482 0.394714 0.000000 Fe\n0.298232 0.903518 0.000000 Fe\n0.605286 0.701768 0.000000 Fe\n0.822348 0.609072 0.000000 Fe\n0.786724 0.177652 0.000000 Fe\n0.390928 0.213276 0.000000 Fe\n0.051209 0.770015 0.500000 Fe\n0.718807 0.948791 0.500000 Fe\n0.229985 0.281193 0.500000 Fe\n0.882762 0.430229 0.500000 Fe\n0.547467 0.117238 0.500000 Fe\n0.569771 0.452533 0.500000 Fe\n0.079732 0.632104 0.000000 P\n0.552372 0.920268 0.000000 P\n0.367896 0.447628 0.000000 P\n0.780710 0.737058 0.500000 P\n0.956348 0.219290 0.500000 P\n0.262942 0.043652 0.500000 P\n0.666667 0.333333 0.000000 P\n","nsites":21,"nelements":3,"elements":["Zr","Fe","P"],"chemical_system":"Fe-P-Zr","density":7.290370193556564,"density_atomic":0.08621400872112445,"volume":243.57990437410794,"volume_molar":6.98510700213437,"formula_full":"Zr2 Fe12 P7","formula_reduced":"Zr2Fe12P7","formula_anonymous":"A2B7C12","energy":-172.08691386000004,"energy_per_atom":-8.194614945714287,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.08691386000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8680259,"is_theoretical":false,"updated_at":"2021-11-28T01:37:32.075000Z","spacegroup":174},{"id":"mp-1188040","created_at":"2022-09-04T14:41:46.098484Z","structure_string":"Zr2 Cu6\n1.0\n2.827934 -4.898125 0.000000\n2.827934 4.898125 0.000000\n0.000000 0.000000 4.243634\nZr Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.151268 0.302536 0.250000 Cu\n0.697464 0.848732 0.250000 Cu\n0.151268 0.848732 0.250000 Cu\n0.848732 0.697464 0.750000 Cu\n0.302536 0.151268 0.750000 Cu\n0.848732 0.151268 0.750000 Cu\n","nsites":8,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":7.962484002987549,"density_atomic":0.06804918645551396,"volume":117.56202265885823,"volume_molar":8.849688106024422,"formula_full":"Zr2 Cu6","formula_reduced":"ZrCu3","formula_anonymous":"AB3","energy":-42.31281754,"energy_per_atom":-5.2891021925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.31281754,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017905,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.553000Z","spacegroup":194},{"id":"mp-30019","created_at":"2022-09-04T14:40:19.333002Z","structure_string":"Zr2 Cu4 Te6\n1.0\n2.042253 10.278281 0.000000\n-2.042253 10.278281 0.000000\n0.000000 1.101881 7.291429\nZr Cu Te\n2 4 6\ndirect\n0.853928 0.853928 0.054194 Zr\n0.146072 0.146072 0.945806 Zr\n0.548721 0.548721 0.850557 Cu\n0.451279 0.451279 0.149443 Cu\n0.786490 0.786490 0.426158 Cu\n0.213510 0.213510 0.573842 Cu\n0.579961 0.579961 0.179929 Te\n0.420039 0.420039 0.820071 Te\n0.250047 0.250047 0.218080 Te\n0.749953 0.749953 0.781920 Te\n0.916076 0.916076 0.364399 Te\n0.083925 0.083925 0.635601 Te\n","nsites":12,"nelements":3,"elements":["Zr","Cu","Te"],"chemical_system":"Cu-Te-Zr","density":6.521758375121917,"density_atomic":0.03920203117328334,"volume":306.1065878693078,"volume_molar":15.361807997602334,"formula_full":"Zr2 Cu4 Te6","formula_reduced":"ZrCu2Te3","formula_anonymous":"AB2C3","energy":-60.74646619000001,"energy_per_atom":-5.062205515833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.21446619,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000233,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.209000Z","spacegroup":12},{"id":"mp-1198265","created_at":"2022-09-04T14:46:32.434323Z","structure_string":"Zr2 Cu4 O24 F16\n1.0\n-6.317148 -4.317394 3.951485\n6.317148 -4.317394 -3.951485\n5.874352 4.317394 6.823225\nZr Cu O F\n2 4 24 16\ndirect\n0.997618 0.247618 0.750000 Zr\n0.002382 0.752382 0.250000 Zr\n0.652754 0.590275 0.757053 Cu\n0.333222 0.895700 0.742947 Cu\n0.347246 0.409725 0.242947 Cu\n0.666778 0.104300 0.257053 Cu\n0.773087 0.676786 0.637580 O\n0.539206 0.135507 0.862420 O\n0.226913 0.323214 0.362420 O\n0.460794 0.864493 0.137580 O\n0.548599 0.516256 0.888315 O\n0.127941 0.660283 0.611685 O\n0.451401 0.483744 0.111685 O\n0.872059 0.339717 0.388315 O\n0.562365 0.357224 0.642692 O\n0.214533 0.919673 0.857308 O\n0.437635 0.642776 0.357308 O\n0.785467 0.080327 0.142692 O\n0.714424 0.819847 0.855764 O\n0.464082 0.858659 0.644236 O\n0.285576 0.180153 0.144236 O\n0.535918 0.141341 0.355764 O\n0.989072 0.684707 0.879481 O\n0.305225 0.109591 0.620519 O\n0.010928 0.315293 0.120519 O\n0.694775 0.890409 0.379481 O\n0.385382 0.563273 0.598524 O\n0.464749 0.786858 0.901476 O\n0.614618 0.436727 0.401476 O\n0.535251 0.213142 0.098524 O\n0.713880 0.125076 0.572890 F\n0.052185 0.140989 0.927110 F\n0.286120 0.874924 0.427110 F\n0.947815 0.859011 0.072890 F\n0.238689 0.505427 0.918951 F\n0.086476 0.319738 0.581049 F\n0.761311 0.494573 0.081049 F\n0.913524 0.680262 0.418951 F\n0.830996 0.256714 0.863561 F\n0.893153 0.967434 0.636439 F\n0.169004 0.743286 0.136439 F\n0.106847 0.032566 0.363561 F\n0.952537 0.481141 0.711342 F\n0.269799 0.241194 0.788658 F\n0.047463 0.518859 0.288658 F\n0.730201 0.758806 0.211342 F\n","nsites":46,"nelements":4,"elements":["Zr","Cu","O","F"],"chemical_system":"Cu-F-O-Zr","density":3.261187986987703,"density_atomic":0.08033218108392448,"volume":572.622321208271,"volume_molar":7.496548305726394,"formula_full":"Zr2 Cu4 O24 F16","formula_reduced":"ZrCu2(O3F2)4","formula_anonymous":"AB2C8D12","energy":-204.32928981,"energy_per_atom":-4.441941082826087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.44928981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":43.9887744,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.177000Z","spacegroup":15}]}